annotate test-data/npt.gro @ 3:4dba9a5b74fc draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 43df863472247b5da304627b6b863c47ab7d02fa"
author chemteam
date Sun, 01 Dec 2019 09:14:59 -0500
parents 1a5960636405
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
0
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1 LYSOZYME in water
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2 38376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3 1LYS N 1 4.408 3.350 2.380 0.2673 -0.2389 -0.2411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4 1LYS H1 2 4.357 3.419 2.434 -2.0147 -3.2163 1.6987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5 1LYS H2 3 4.495 3.391 2.348 1.8056 0.2972 3.9647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6 1LYS H3 4 4.344 3.328 2.306 0.1919 1.7185 -0.8172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7 1LYS CA 5 4.451 3.234 2.460 -0.1814 -0.2864 -0.0670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8 1LYS HA 6 4.495 3.159 2.394 -0.9330 -0.3806 -0.4691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9 1LYS CB 7 4.551 3.281 2.565 0.1538 -0.6499 -0.2213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10 1LYS HB1 8 4.640 3.316 2.511 1.2282 -2.7628 0.0889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11 1LYS HB2 9 4.520 3.359 2.635 -0.3923 -1.0803 0.0156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12 1LYS CG 10 4.604 3.165 2.650 -0.5902 -0.7915 0.0569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13 1LYS HG1 11 4.520 3.134 2.712 0.0041 -0.3176 1.1209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14 1LYS HG2 12 4.625 3.080 2.585 -3.7650 -2.9660 1.6442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15 1LYS CD 13 4.734 3.179 2.730 -0.3604 0.0504 -0.4451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16 1LYS HD1 14 4.812 3.206 2.659 -1.4519 0.7539 -1.4277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17 1LYS HD2 15 4.724 3.268 2.791 -1.4094 -0.0837 -0.3945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18 1LYS CE 16 4.765 3.053 2.810 -0.0162 0.2836 -0.2114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19 1LYS HE1 17 4.694 3.036 2.892 0.2672 1.6909 0.3608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20 1LYS HE2 18 4.766 2.970 2.740 0.7349 -0.9581 1.2064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21 1LYS NZ 19 4.895 3.062 2.879 0.0455 -0.1023 -0.2723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22 1LYS HZ1 20 4.894 2.991 2.951 1.0000 0.2530 0.1086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23 1LYS HZ2 21 4.975 3.032 2.826 0.6308 -0.7796 0.9448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24 1LYS HZ3 22 4.913 3.152 2.922 0.7111 0.5100 -1.7730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25 1LYS C 23 4.325 3.170 2.517 -0.5645 -0.0792 -0.6703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26 1LYS O 24 4.226 3.236 2.549 -0.0598 -0.1994 1.2613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27 2VAL N 25 4.331 3.038 2.535 0.0240 -0.0274 -0.4489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28 2VAL H 26 4.420 2.998 2.510 -0.8414 -1.3266 -1.6119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29 2VAL CA 27 4.240 2.953 2.609 0.2149 0.2665 0.1264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30 2VAL HA 28 4.160 3.010 2.657 -0.6507 -1.0888 0.3432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31 2VAL CB 29 4.181 2.848 2.515 -0.2871 0.3076 0.3915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32 2VAL HB 30 4.253 2.767 2.498 -0.4883 -0.0324 1.1057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33 2VAL CG1 31 4.065 2.780 2.588 -0.2564 0.4922 0.6151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34 2VAL HG11 32 4.037 2.684 2.543 2.0462 0.4271 -0.8292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35 2VAL HG12 33 4.085 2.758 2.693 -0.9377 -0.1345 0.6214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36 2VAL HG13 34 3.985 2.853 2.581 2.6126 3.9598 1.0909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37 2VAL CG2 35 4.142 2.901 2.377 -1.3893 -0.3679 0.4355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38 2VAL HG21 36 4.077 2.844 2.311 -0.0228 1.5345 -2.7632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
39 2VAL HG22 37 4.091 2.996 2.396 -1.1628 -0.2118 0.2568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
40 2VAL HG23 38 4.237 2.911 2.325 -2.5287 0.3993 -1.6123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
41 2VAL C 39 4.337 2.883 2.702 -0.0739 0.1915 0.3728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
42 2VAL O 40 4.423 2.805 2.660 0.0168 0.5114 -0.0361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
43 3PHE N 41 4.324 2.898 2.834 0.4011 0.3011 0.4101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
44 3PHE H 42 4.247 2.956 2.866 -0.4593 -1.0557 0.8615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
45 3PHE CA 43 4.407 2.826 2.928 0.1485 -0.1812 0.2640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
46 3PHE HA 44 4.513 2.821 2.903 0.5097 1.3630 1.3490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
47 3PHE CB 45 4.397 2.899 3.061 -0.4077 0.1099 0.0651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
48 3PHE HB1 46 4.294 2.926 3.082 -0.0300 0.5989 1.4607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
49 3PHE HB2 47 4.404 2.836 3.150 -3.4703 0.1153 0.4218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
50 3PHE CG 48 4.497 3.011 3.081 0.4838 -0.6720 0.0844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
51 3PHE CD1 49 4.463 3.134 3.023 -0.0940 -0.5337 0.6872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
52 3PHE HD1 50 4.374 3.148 2.963 1.6637 1.6586 -1.6592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
53 3PHE CD2 51 4.616 2.997 3.153 0.3845 -0.0950 0.3680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
54 3PHE HD2 52 4.640 2.901 3.195 1.4596 0.5525 1.3091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
55 3PHE CE1 53 4.552 3.242 3.036 -0.0893 -0.4264 -0.1459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
56 3PHE HE1 54 4.529 3.337 2.991 2.1152 0.4609 0.4758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
57 3PHE CE2 55 4.706 3.103 3.170 0.5168 -0.1509 0.0046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
58 3PHE HE2 56 4.794 3.086 3.231 1.5562 0.8793 -1.1371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
59 3PHE CZ 57 4.667 3.225 3.114 -0.2469 -0.3432 0.1090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
60 3PHE HZ 58 4.725 3.313 3.136 -1.1035 0.0302 0.9003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
61 3PHE C 59 4.350 2.687 2.951 0.0349 -0.1842 -0.0348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
62 3PHE O 60 4.235 2.655 2.920 -0.0218 0.4178 -0.4599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
63 4GLY N 61 4.431 2.600 3.013 -0.3150 -0.1879 0.4209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
64 4GLY H 62 4.511 2.640 3.059 -0.9482 0.0853 1.3242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
65 4GLY CA 63 4.382 2.475 3.067 -0.3928 -0.4337 -0.2028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
66 4GLY HA1 64 4.291 2.440 3.018 -0.1826 -0.1887 -0.7759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
67 4GLY HA2 65 4.471 2.412 3.062 1.4046 1.4100 3.6357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
68 4GLY C 66 4.354 2.482 3.217 0.3552 -0.1805 -0.0727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
69 4GLY O 67 4.395 2.575 3.286 0.3868 -0.2449 -0.0052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
70 5ARG N 68 4.276 2.384 3.261 -0.0149 0.0653 -0.1844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
71 5ARG H 69 4.257 2.305 3.201 1.1993 -0.0772 -0.3899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
72 5ARG CA 70 4.218 2.383 3.394 0.2261 -0.1233 -0.0806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
73 5ARG HA 71 4.159 2.474 3.390 1.4107 0.6236 -2.8412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
74 5ARG CB 72 4.123 2.265 3.413 -0.5363 0.5334 0.2441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
75 5ARG HB1 73 4.049 2.273 3.333 -2.7850 -0.2008 2.1406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
76 5ARG HB2 74 4.180 2.174 3.393 -0.3156 1.0999 -1.9034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
77 5ARG CG 75 4.055 2.251 3.550 0.0863 -0.1221 0.4942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
78 5ARG HG1 76 4.124 2.258 3.634 1.1901 0.9262 -0.4551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
79 5ARG HG2 77 3.990 2.338 3.561 0.4514 0.1729 0.3656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
80 5ARG CD 78 3.977 2.121 3.560 -0.0968 -0.0620 -0.0854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
81 5ARG HD1 79 3.944 2.112 3.664 1.8339 1.8126 0.7633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
82 5ARG HD2 80 3.897 2.115 3.486 0.2942 -0.0555 -0.5033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
83 5ARG NE 81 4.063 2.006 3.535 -0.5442 -0.4865 0.2836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
84 5ARG HE 82 4.083 1.995 3.436 0.3598 2.4098 0.0602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
85 5ARG CZ 83 4.129 1.931 3.624 0.0860 -0.1172 0.1345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
86 5ARG NH1 84 4.136 1.957 3.755 -0.1324 -0.0771 0.1379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
87 5ARG HH11 85 4.091 2.041 3.789 -1.8047 -1.4912 1.6674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
88 5ARG HH12 86 4.181 1.898 3.824 -1.4019 -1.5987 -0.2588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
89 5ARG NH2 87 4.194 1.824 3.574 -0.0560 0.1118 -0.5551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
90 5ARG HH21 88 4.204 1.814 3.474 0.4195 2.1979 -0.7590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
91 5ARG HH22 89 4.199 1.744 3.636 -0.7759 0.9790 0.6921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
92 5ARG C 90 4.319 2.388 3.508 0.1087 -0.1029 0.0225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
93 5ARG O 91 4.310 2.470 3.599 -0.4490 -0.4521 0.2892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
94 6CYS N 92 4.426 2.310 3.495 0.0734 -0.1107 -0.2186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
95 6CYS H 93 4.439 2.260 3.408 0.0707 -0.4337 -0.0344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
96 6CYS CA 94 4.525 2.302 3.600 -0.5747 -0.4357 0.3710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
97 6CYS HA 95 4.484 2.312 3.701 -2.3630 -1.3879 -0.2202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
98 6CYS CB 96 4.613 2.178 3.587 0.0467 0.0431 -0.0524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
99 6CYS HB1 97 4.654 2.165 3.487 -1.8395 -1.0728 -0.7357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
100 6CYS HB2 98 4.695 2.177 3.659 1.7613 -1.2703 -1.8918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
101 6CYS SG 99 4.511 2.037 3.637 0.3233 -0.0931 0.1334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
102 6CYS C 100 4.626 2.415 3.583 -0.4266 -0.5953 0.1802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
103 6CYS O 101 4.670 2.476 3.680 -0.9310 0.0320 0.0260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
104 7GLU N 102 4.646 2.467 3.462 -0.7484 0.3591 0.5283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
105 7GLU H 103 4.599 2.429 3.381 -0.8661 1.2539 0.1581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
106 7GLU CA 104 4.737 2.575 3.427 -0.1026 -0.4637 -0.3752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
107 7GLU HA 105 4.837 2.561 3.467 -0.4746 0.6765 1.0243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
108 7GLU CB 106 4.740 2.590 3.275 -0.2316 -0.4314 -0.3755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
109 7GLU HB1 107 4.774 2.492 3.240 0.5095 -0.4880 0.4769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
110 7GLU HB2 108 4.641 2.620 3.242 0.0559 -0.9117 -1.7677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
111 7GLU CG 109 4.838 2.690 3.213 -1.0245 0.6701 0.1165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
112 7GLU HG1 110 4.863 2.771 3.281 -3.0589 1.6798 -0.2750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
113 7GLU HG2 111 4.934 2.638 3.213 -1.3969 -0.0785 -1.6586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
114 7GLU CD 112 4.817 2.734 3.069 0.2838 -0.2335 -0.3677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
115 7GLU OE1 113 4.717 2.686 3.013 -0.2701 0.3521 0.1091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
116 7GLU OE2 114 4.889 2.821 3.016 0.4681 0.4305 0.9342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
117 7GLU C 115 4.680 2.707 3.476 -0.1571 -0.4241 -0.5457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
118 7GLU O 116 4.750 2.803 3.507 -0.5485 -0.1913 -0.3798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
119 8LEU N 117 4.547 2.720 3.480 -0.1047 0.0953 -0.4202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
120 8LEU H 118 4.485 2.649 3.445 0.0307 0.9780 -2.6764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
121 8LEU CA 119 4.477 2.839 3.523 0.2461 -0.0660 0.6142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
122 8LEU HA 120 4.526 2.932 3.494 2.0249 -0.8289 1.0742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
123 8LEU CB 121 4.338 2.824 3.461 0.5930 -0.0906 -0.1639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
124 8LEU HB1 122 4.349 2.807 3.354 -0.4405 -1.2299 -0.1083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
125 8LEU HB2 123 4.288 2.740 3.508 -0.6450 0.9519 0.4418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
126 8LEU CG 124 4.247 2.945 3.484 0.0079 -0.5707 0.0727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
127 8LEU HG 125 4.250 2.974 3.588 -1.7886 -1.3427 0.3733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
128 8LEU CD1 126 4.294 3.067 3.404 0.0186 -0.5728 0.0762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
129 8LEU HD11 127 4.225 3.151 3.414 -3.0051 -2.8507 0.1194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
130 8LEU HD12 128 4.397 3.100 3.417 -0.0023 0.6905 -2.3872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
131 8LEU HD13 129 4.283 3.045 3.298 1.4065 -3.9980 0.5153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
132 8LEU CD2 130 4.102 2.906 3.455 -0.0296 0.0504 -0.6255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
133 8LEU HD21 131 4.055 3.000 3.430 3.3020 2.2759 0.7265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
134 8LEU HD22 132 4.081 2.830 3.380 -0.9302 0.6916 -1.0386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
135 8LEU HD23 133 4.072 2.863 3.551 2.1441 -0.9667 -0.3430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
136 8LEU C 134 4.468 2.844 3.675 -0.2348 -0.2912 0.5944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
137 8LEU O 135 4.490 2.950 3.732 0.0729 0.1804 -0.3871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
138 9ALA N 136 4.438 2.730 3.738 -0.8010 -0.0709 0.7269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
139 9ALA H 137 4.448 2.642 3.689 0.2814 0.4420 -0.0084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
140 9ALA CA 138 4.455 2.712 3.881 -0.9711 0.4034 0.8092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
141 9ALA HA 139 4.378 2.768 3.934 -0.1116 0.5737 1.9247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
142 9ALA CB 140 4.436 2.565 3.919 0.8976 0.0966 0.6423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
143 9ALA HB1 141 4.467 2.556 4.023 1.6756 -0.8958 0.3373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
144 9ALA HB2 142 4.334 2.526 3.916 1.3857 -1.2108 -0.3223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
145 9ALA HB3 143 4.494 2.497 3.857 -0.7762 0.8367 -1.8933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
146 9ALA C 144 4.588 2.760 3.937 -0.5709 0.2935 -0.0395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
147 9ALA O 145 4.591 2.827 4.040 0.3366 -0.1374 0.2244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
148 10ALA N 146 4.697 2.725 3.869 -0.3518 -0.2550 0.5852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
149 10ALA H 147 4.676 2.665 3.790 -3.5310 -0.0725 1.1976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
150 10ALA CA 148 4.832 2.766 3.904 -0.4690 0.6356 0.0203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
151 10ALA HA 149 4.857 2.735 4.005 1.8246 1.4153 -0.2447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
152 10ALA CB 150 4.930 2.690 3.815 -0.3654 0.4073 0.3279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
153 10ALA HB1 151 5.035 2.717 3.826 0.4675 -2.6366 0.7244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
154 10ALA HB2 152 4.924 2.582 3.828 0.9505 0.0621 -1.4954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
155 10ALA HB3 153 4.911 2.706 3.708 -1.4422 -0.9146 0.3090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
156 10ALA C 154 4.853 2.916 3.886 -0.2508 0.6352 0.2703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
157 10ALA O 155 4.915 2.972 3.976 0.6200 -0.3440 0.3014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
158 11ALA N 156 4.798 2.983 3.785 -0.6024 0.5301 0.3921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
159 11ALA H 157 4.746 2.925 3.721 1.9677 -0.9999 -0.4612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
160 11ALA CA 158 4.805 3.127 3.766 0.4220 0.4174 -0.1636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
161 11ALA HA 159 4.909 3.158 3.781 0.4193 0.3083 0.0821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
162 11ALA CB 160 4.760 3.166 3.626 -0.3236 -0.2605 -0.1232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
163 11ALA HB1 161 4.785 3.266 3.589 -0.4453 -0.8375 -1.8700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
164 11ALA HB2 162 4.797 3.104 3.544 -2.1671 1.0004 -2.0230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
165 11ALA HB3 163 4.651 3.161 3.622 -0.3211 -1.3888 0.9477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
166 11ALA C 164 4.720 3.191 3.875 0.4183 0.1153 0.0117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
167 11ALA O 165 4.770 3.284 3.938 -0.1103 0.5944 -0.2774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
168 12MET N 166 4.598 3.150 3.909 0.3951 0.5029 0.4086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
169 12MET H 167 4.553 3.078 3.854 -1.7014 1.3596 0.8880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
170 12MET CA 168 4.511 3.209 4.009 -0.1843 0.3806 -0.0157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
171 12MET HA 169 4.488 3.312 3.983 1.4232 1.0218 0.9719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
172 12MET CB 170 4.384 3.123 4.009 0.0206 0.0722 0.5548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
173 12MET HB1 171 4.398 3.015 4.002 1.3329 0.2552 0.0424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
174 12MET HB2 172 4.332 3.143 4.102 -0.7586 2.7270 -0.3613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
175 12MET CG 173 4.284 3.164 3.901 0.4620 -0.1758 0.0496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
176 12MET HG1 174 4.249 3.261 3.934 1.2700 0.0849 0.1692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
177 12MET HG2 175 4.347 3.179 3.812 0.4513 4.3177 0.5712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
178 12MET SD 176 4.139 3.058 3.878 0.4094 -0.0119 -0.3951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
179 12MET CE 177 4.049 3.169 3.767 0.1216 -0.1604 -0.3081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
180 12MET HE1 178 4.090 3.177 3.667 0.9140 2.2366 0.1606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
181 12MET HE2 179 3.946 3.146 3.739 0.3674 0.0295 -1.4167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
182 12MET HE3 180 4.057 3.267 3.814 2.0073 -0.7694 0.7141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
183 12MET C 181 4.571 3.187 4.147 -0.0117 0.0001 -0.1492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
184 12MET O 182 4.558 3.273 4.234 0.1436 -0.4332 0.3080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
185 13LYS N 183 4.647 3.079 4.169 0.6074 0.3674 -0.4584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
186 13LYS H 184 4.653 3.002 4.105 -0.8721 -0.5764 0.4918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
187 13LYS CA 185 4.717 3.057 4.294 -0.1421 -0.0912 -0.1099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
188 13LYS HA 186 4.644 3.058 4.374 -1.3780 -0.0558 -1.1988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
189 13LYS CB 187 4.764 2.911 4.287 -0.2797 -0.1415 0.0032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
190 13LYS HB1 188 4.683 2.839 4.288 -0.4601 0.0546 1.7347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
191 13LYS HB2 189 4.821 2.893 4.195 -0.1698 -1.6300 0.3524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
192 13LYS CG 190 4.856 2.868 4.401 0.1483 -0.2592 -0.3815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
193 13LYS HG1 191 4.932 2.794 4.376 0.9699 -0.1066 1.4922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
194 13LYS HG2 192 4.923 2.950 4.426 -0.6252 -0.4337 2.6007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
195 13LYS CD 193 4.786 2.829 4.531 0.3811 0.0694 -0.1570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
196 13LYS HD1 194 4.854 2.837 4.617 -1.9902 -1.6188 2.0462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
197 13LYS HD2 195 4.700 2.892 4.550 -0.2486 -0.7789 -0.1536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
198 13LYS CE 196 4.742 2.683 4.538 0.3582 0.0757 -0.1631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
199 13LYS HE1 197 4.675 2.657 4.456 -0.5310 -0.9287 0.8548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
200 13LYS HE2 198 4.824 2.610 4.535 0.3229 0.0403 -0.2838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
201 13LYS NZ 199 4.697 2.641 4.671 -0.0769 0.5884 -0.1461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
202 13LYS HZ1 200 4.676 2.542 4.670 -1.5005 0.8633 -1.8765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
203 13LYS HZ2 201 4.760 2.659 4.748 -3.2323 0.4826 2.7271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
204 13LYS HZ3 202 4.620 2.701 4.699 -0.0696 0.0529 1.1305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
205 13LYS C 203 4.824 3.162 4.320 0.1071 -0.4206 0.2145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
206 13LYS O 204 4.829 3.210 4.433 -0.2357 -0.3917 0.2201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
207 14ARG N 205 4.909 3.202 4.225 -0.2853 0.0757 0.0706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
208 14ARG H 206 4.887 3.184 4.128 -0.2034 -1.4036 0.3144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
209 14ARG CA 207 5.025 3.287 4.244 -0.1403 -0.0335 -0.3151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
210 14ARG HA 208 5.063 3.265 4.343 0.5389 2.8646 0.1580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
211 14ARG CB 209 5.125 3.244 4.136 -0.0769 -0.5937 -0.0368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
212 14ARG HB1 210 5.222 3.284 4.163 0.7563 -2.5692 0.0459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
213 14ARG HB2 211 5.148 3.138 4.137 2.2067 -0.1473 0.0220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
214 14ARG CG 212 5.109 3.295 3.993 -0.0402 -0.3004 0.0616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
215 14ARG HG1 213 5.010 3.262 3.960 -0.1970 1.6550 -1.6226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
216 14ARG HG2 214 5.107 3.403 4.005 -0.4248 -0.4870 2.0877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
217 14ARG CD 215 5.219 3.254 3.895 0.1036 -0.3432 0.2422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
218 14ARG HD1 216 5.230 3.334 3.823 -1.1594 -0.8317 -0.5284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
219 14ARG HD2 217 5.315 3.246 3.947 0.6982 0.0500 -0.7757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
220 14ARG NE 218 5.206 3.114 3.854 -0.1860 -0.3117 0.2266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
221 14ARG HE 219 5.246 3.046 3.917 -0.1012 -1.6243 -1.1802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
222 14ARG CZ 220 5.163 3.070 3.735 -0.2700 0.1900 0.0698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
223 14ARG NH1 221 5.129 3.158 3.640 -0.5705 0.0497 0.0462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
224 14ARG HH11 222 5.104 3.251 3.669 -0.4998 0.8683 -2.3354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
225 14ARG HH12 223 5.096 3.133 3.548 0.7766 -0.1829 -0.3949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
226 14ARG NH2 224 5.150 2.939 3.711 -0.0515 0.2921 -0.6253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
227 14ARG HH21 225 5.199 2.873 3.770 0.7517 1.8597 0.5502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
228 14ARG HH22 226 5.093 2.912 3.632 -1.7976 2.3628 -0.1515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
229 14ARG C 227 4.981 3.433 4.247 0.2480 0.0698 0.6999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
230 14ARG O 228 5.049 3.520 4.301 0.2023 0.2300 0.5030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
231 15HIS N 229 4.868 3.460 4.181 0.3458 -0.4112 0.3248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
232 15HIS H 230 4.829 3.386 4.124 -0.8626 -0.3693 1.0651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
233 15HIS CA 231 4.806 3.591 4.184 0.1792 -0.4847 0.1388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
234 15HIS HA 232 4.888 3.664 4.182 -0.3955 0.2505 -3.0740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
235 15HIS CB 233 4.721 3.620 4.060 0.1091 0.5379 0.4128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
236 15HIS HB1 234 4.663 3.531 4.035 1.3082 0.0549 -0.7804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
237 15HIS HB2 235 4.651 3.700 4.086 0.0084 0.1114 1.5092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
238 15HIS CG 236 4.794 3.669 3.938 -0.2400 0.0099 -0.0143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
239 15HIS ND1 237 4.726 3.682 3.817 0.1718 -0.1242 -0.2588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
240 15HIS CD2 238 4.926 3.703 3.924 -0.1850 -0.2198 -0.0546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
241 15HIS HD2 239 5.017 3.703 3.981 1.1975 0.1091 -2.1313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
242 15HIS CE1 240 4.821 3.717 3.730 0.2524 0.1378 -0.0648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
243 15HIS HE1 241 4.804 3.733 3.624 -0.3710 -1.5268 -0.2326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
244 15HIS NE2 242 4.942 3.722 3.788 0.2898 -0.7253 -0.0689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
245 15HIS HE2 243 5.025 3.761 3.745 -0.9670 1.4484 -0.6583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
246 15HIS C 244 4.716 3.622 4.303 0.2046 0.0784 0.0182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
247 15HIS O 245 4.685 3.737 4.329 0.2920 0.0121 0.4142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
248 16GLY N 246 4.691 3.516 4.380 -0.2298 0.1570 -0.0147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
249 16GLY H 247 4.717 3.428 4.337 -2.9886 -0.6276 -0.3118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
250 16GLY CA 248 4.667 3.509 4.523 0.0783 0.0813 0.0348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
251 16GLY HA1 249 4.729 3.433 4.569 2.6917 2.0107 -0.0952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
252 16GLY HA2 250 4.720 3.587 4.577 0.9384 -1.6009 1.7172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
253 16GLY C 251 4.520 3.491 4.561 -0.0087 0.3369 -0.1745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
254 16GLY O 252 4.478 3.531 4.669 -0.4401 -0.3419 -0.0866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
255 17LEU N 253 4.444 3.440 4.464 0.4706 -0.5515 -0.1024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
256 17LEU H 254 4.499 3.397 4.391 0.1130 -0.1844 -0.5994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
257 17LEU CA 255 4.300 3.420 4.466 0.3663 0.1849 0.2635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
258 17LEU HA 256 4.242 3.500 4.513 1.2644 0.1345 1.5177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
259 17LEU CB 257 4.251 3.399 4.323 0.2126 -0.2239 0.3747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
260 17LEU HB1 258 4.311 3.319 4.280 0.8696 0.4791 -0.0519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
261 17LEU HB2 259 4.151 3.355 4.321 0.2062 -0.1951 0.0040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
262 17LEU CG 260 4.243 3.523 4.234 -0.2352 -0.0624 0.6363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
263 17LEU HG 261 4.339 3.571 4.212 -0.6356 0.4590 -0.0181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
264 17LEU CD1 262 4.190 3.481 4.097 0.1230 0.4431 0.3370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
265 17LEU HD11 263 4.156 3.566 4.038 1.6456 0.8036 -0.0652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
266 17LEU HD12 264 4.272 3.435 4.042 0.4497 -2.3764 2.8987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
267 17LEU HD13 265 4.106 3.412 4.097 1.4309 -1.2093 0.7281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
268 17LEU CD2 266 4.154 3.634 4.290 -0.1818 0.1141 0.3754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
269 17LEU HD21 267 4.127 3.723 4.233 0.1367 0.3556 0.5938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
270 17LEU HD22 268 4.060 3.584 4.311 0.8662 -1.6829 1.0451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
271 17LEU HD23 269 4.189 3.669 4.387 -0.7805 2.4741 -0.1969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
272 17LEU C 270 4.255 3.300 4.548 0.0854 -0.2762 -0.5549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
273 17LEU O 271 4.140 3.290 4.589 0.1512 0.2010 -0.2539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
274 18ASP N 272 4.335 3.197 4.575 0.4454 0.1526 0.0387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
275 18ASP H 273 4.430 3.197 4.539 0.3058 1.5555 -0.3701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
276 18ASP CA 274 4.301 3.081 4.654 0.2937 0.0783 -0.1337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
277 18ASP HA 275 4.207 3.040 4.619 0.4143 0.5998 -1.1064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
278 18ASP CB 276 4.403 2.968 4.638 0.1239 0.0100 -0.7280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
279 18ASP HB1 277 4.434 2.942 4.536 0.0631 -1.1017 -0.4756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
280 18ASP HB2 278 4.493 3.013 4.680 -1.2189 0.2062 2.1632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
281 18ASP CG 279 4.381 2.843 4.721 0.0633 0.4195 -0.1275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
282 18ASP OD1 280 4.269 2.802 4.760 0.2165 0.3966 0.2988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
283 18ASP OD2 281 4.485 2.778 4.747 -0.0549 0.0600 -0.5471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
284 18ASP C 282 4.284 3.111 4.803 -0.4112 0.0342 -0.2024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
285 18ASP O 283 4.378 3.155 4.868 -0.1953 -0.8516 0.1018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
286 19ASN N 284 4.162 3.107 4.856 -0.2537 -0.4275 0.1396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
287 19ASN H 285 4.089 3.096 4.787 -0.2913 -0.1104 0.1262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
288 19ASN CA 286 4.112 3.156 4.983 0.1799 -0.0104 0.1534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
289 19ASN HA 287 4.016 3.106 4.993 0.5342 -0.8921 -0.6778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
290 19ASN CB 288 4.196 3.096 5.095 0.0424 0.1072 0.3201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
291 19ASN HB1 289 4.226 2.992 5.081 -0.4830 -0.2114 1.4260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
292 19ASN HB2 290 4.291 3.148 5.094 1.6425 -2.5769 0.8261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
293 19ASN CG 291 4.127 3.097 5.231 -0.4543 0.2428 0.0694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
294 19ASN OD1 292 4.031 3.024 5.255 -0.3711 -0.0310 -0.4283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
295 19ASN ND2 293 4.170 3.183 5.324 0.0523 -0.0538 0.1125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
296 19ASN HD21 294 4.242 3.249 5.300 0.7709 0.2538 2.7622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
297 19ASN HD22 295 4.139 3.190 5.420 0.5792 1.0357 0.2131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
298 19ASN C 296 4.079 3.305 4.979 0.0621 -0.0377 0.0901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
299 19ASN O 297 4.056 3.360 5.086 -0.6565 0.4128 -0.2836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
300 20TYR N 298 4.082 3.379 4.868 -0.2290 -0.1333 0.0174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
301 20TYR H 299 4.104 3.336 4.779 0.6615 -0.3497 0.3379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
302 20TYR CA 300 4.058 3.522 4.877 -0.2556 -0.1523 0.2467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
303 20TYR HA 301 4.123 3.572 4.948 -0.3491 -1.9080 1.6498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
304 20TYR CB 302 4.101 3.583 4.743 0.3123 -0.3259 0.3459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
305 20TYR HB1 303 4.204 3.555 4.722 0.0829 0.6910 -2.4975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
306 20TYR HB2 304 4.049 3.537 4.659 0.4950 1.3476 -0.7150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
307 20TYR CG 305 4.101 3.733 4.735 0.0707 -0.3671 -0.4713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
308 20TYR CD1 306 4.209 3.805 4.788 -0.4940 0.1436 0.0055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
309 20TYR HD1 307 4.291 3.755 4.836 -0.2231 0.2943 -0.2928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
310 20TYR CD2 308 3.995 3.804 4.677 -0.3614 -0.1818 0.5198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
311 20TYR HD2 309 3.907 3.749 4.646 -0.1457 -0.6885 0.8001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
312 20TYR CE1 310 4.217 3.945 4.777 -0.0469 0.1416 0.3295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
313 20TYR HE1 311 4.298 3.991 4.831 -0.1781 -0.1330 0.7674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
314 20TYR CE2 312 3.991 3.944 4.679 0.1128 -0.1531 -0.1628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
315 20TYR HE2 313 3.904 3.996 4.641 -0.6899 -0.7842 0.7497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
316 20TYR CZ 314 4.102 4.011 4.732 0.3429 0.0355 -0.8679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
317 20TYR OH 315 4.117 4.146 4.732 -0.2995 0.1170 -0.2257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
318 20TYR HH 316 4.206 4.176 4.743 -0.0072 -0.6042 -0.5387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
319 20TYR C 317 3.910 3.552 4.895 -0.1920 0.2451 0.1105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
320 20TYR O 318 3.828 3.531 4.806 -0.2899 0.3926 0.1648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
321 21ARG N 319 3.880 3.623 5.004 0.2782 0.1074 0.3338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
322 21ARG H 320 3.958 3.667 5.050 0.1158 0.2055 0.5168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
323 21ARG CA 321 3.752 3.664 5.058 -0.0972 -0.4298 -0.1495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
324 21ARG HA 322 3.764 3.727 5.145 -0.8683 -1.0915 0.4572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
325 21ARG CB 323 3.668 3.747 4.960 -0.0328 -0.4267 -0.2022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
326 21ARG HB1 324 3.651 3.688 4.870 1.7868 0.0989 -0.9202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
327 21ARG HB2 325 3.565 3.751 4.996 0.0169 -4.8475 1.0006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
328 21ARG CG 326 3.745 3.876 4.930 -0.7282 0.0312 -0.0411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
329 21ARG HG1 327 3.843 3.855 4.888 -0.2268 0.0023 1.1119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
330 21ARG HG2 328 3.696 3.937 4.854 -1.4306 0.2476 0.5687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
331 21ARG CD 329 3.741 3.969 5.051 0.2689 -0.1121 0.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
332 21ARG HD1 330 3.686 4.059 5.024 1.1748 1.0402 1.9063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
333 21ARG HD2 331 3.682 3.940 5.138 -1.3724 -0.4328 -1.0815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
334 21ARG NE 332 3.877 3.990 5.102 0.2343 0.0533 0.1256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
335 21ARG HE 333 3.930 3.918 5.148 0.1184 1.4952 2.6729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
336 21ARG CZ 334 3.928 4.114 5.102 0.7300 -0.1441 -0.5674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
337 21ARG NH1 335 4.029 4.139 5.187 -0.1090 0.2340 0.3289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
338 21ARG HH11 336 4.027 4.103 5.281 -0.4442 -1.3406 -0.2561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
339 21ARG HH12 337 4.059 4.235 5.187 -0.4038 0.3710 -1.7398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
340 21ARG NH2 338 3.884 4.209 5.018 0.7702 0.0233 -0.3982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
341 21ARG HH21 339 3.814 4.200 4.946 -0.1250 0.8149 0.3431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
342 21ARG HH22 340 3.925 4.300 5.034 1.4979 -0.5805 1.4122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
343 21ARG C 341 3.689 3.540 5.121 -0.0094 -0.6119 -0.4146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
344 21ARG O 342 3.569 3.545 5.148 0.1246 -0.4234 0.1845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
345 22GLY N 343 3.761 3.432 5.153 -0.0973 -0.7308 -0.6228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
346 22GLY H 344 3.862 3.428 5.148 -0.1378 -0.9752 -1.4417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
347 22GLY CA 345 3.700 3.309 5.199 -0.1408 -0.5116 -0.0875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
348 22GLY HA1 346 3.769 3.294 5.282 0.0084 0.1331 -0.0876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
349 22GLY HA2 347 3.607 3.321 5.254 -0.6566 0.9886 -1.2085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
350 22GLY C 348 3.695 3.206 5.087 -0.2899 -0.3304 -0.2479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
351 22GLY O 349 3.699 3.089 5.124 0.2856 -0.2787 -0.1425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
352 23TYR N 350 3.697 3.240 4.957 0.4191 -0.2370 -0.2151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
353 23TYR H 351 3.688 3.339 4.941 -1.8963 -0.6661 -2.0689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
354 23TYR CA 352 3.675 3.148 4.847 -0.2531 0.1618 -0.4142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
355 23TYR HA 353 3.597 3.077 4.876 0.5746 -0.3522 0.6264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
356 23TYR CB 354 3.631 3.239 4.732 0.3978 0.7722 -0.1876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
357 23TYR HB1 355 3.707 3.314 4.715 -1.1854 2.2563 -1.0206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
358 23TYR HB2 356 3.637 3.195 4.632 0.6906 2.9251 -1.1709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
359 23TYR CG 357 3.496 3.304 4.747 0.1850 0.1811 0.5708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
360 23TYR CD1 358 3.380 3.228 4.724 0.4612 -0.0911 0.0469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
361 23TYR HD1 359 3.381 3.123 4.703 -3.3607 0.0401 -1.6045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
362 23TYR CD2 360 3.488 3.437 4.790 0.5366 0.4597 -0.2133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
363 23TYR HD2 361 3.578 3.496 4.804 -1.1753 2.9946 0.8066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
364 23TYR CE1 362 3.256 3.287 4.753 0.5405 0.1605 -0.1182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
365 23TYR HE1 363 3.160 3.239 4.742 0.0752 1.1180 -0.3361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
366 23TYR CE2 364 3.361 3.492 4.811 0.2465 -0.1386 -0.3758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
367 23TYR HE2 365 3.354 3.595 4.845 -0.2969 -0.0560 -0.7350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
368 23TYR CZ 366 3.243 3.421 4.789 0.0322 -0.0157 0.3641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
369 23TYR OH 367 3.123 3.484 4.799 -0.0192 -0.0867 0.1936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
370 23TYR HH 368 3.084 3.495 4.885 -1.0896 0.8881 -0.3785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
371 23TYR C 369 3.801 3.074 4.805 -0.0920 0.1028 0.1607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
372 23TYR O 370 3.887 3.125 4.734 -0.1468 0.2490 0.2001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
373 24SER N 371 3.800 2.943 4.833 0.6555 0.1833 0.5639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
374 24SER H 372 3.714 2.899 4.860 0.7841 0.2983 1.1791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
375 24SER CA 373 3.894 2.847 4.779 -0.1072 -0.1881 -0.1036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
376 24SER HA 374 3.986 2.881 4.825 -0.1237 0.1363 -0.3104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
377 24SER CB 375 3.857 2.712 4.841 0.1498 0.1034 0.6822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
378 24SER HB1 376 3.943 2.649 4.819 1.6179 1.4338 2.2670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
379 24SER HB2 377 3.863 2.710 4.950 -0.5282 -1.7447 0.7137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
380 24SER OG 378 3.734 2.664 4.793 0.4725 0.0029 -0.0556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
381 24SER HG 379 3.695 2.599 4.850 -0.5389 0.3374 -0.3507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
382 24SER C 380 3.904 2.852 4.627 0.0257 -0.0601 -0.0899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
383 24SER O 381 3.805 2.874 4.557 0.0569 0.3349 -0.0142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
384 25LEU N 382 4.024 2.821 4.577 0.0388 -0.5372 0.2297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
385 25LEU H 383 4.096 2.800 4.645 -0.8101 0.7132 1.5630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
386 25LEU CA 384 4.073 2.820 4.440 -0.0838 -0.4699 0.1854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
387 25LEU HA 385 4.100 2.923 4.415 -0.6231 -0.7535 -1.6732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
388 25LEU CB 386 4.199 2.735 4.432 -0.2074 -0.6371 0.0024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
389 25LEU HB1 387 4.268 2.771 4.509 -0.4836 -0.4868 0.1811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
390 25LEU HB2 388 4.170 2.632 4.452 -0.4357 -0.7088 -0.6747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
391 25LEU CG 389 4.269 2.728 4.296 0.2084 -0.2261 0.1954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
392 25LEU HG 390 4.216 2.675 4.217 0.6094 0.6384 -0.6778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
393 25LEU CD1 391 4.292 2.870 4.244 -0.2824 -0.1642 0.1482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
394 25LEU HD11 392 4.389 2.875 4.195 -0.7420 -0.1516 -0.7939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
395 25LEU HD12 393 4.206 2.906 4.187 -0.5926 0.2623 0.8665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
396 25LEU HD13 394 4.292 2.946 4.322 0.1226 1.2272 -1.1455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
397 25LEU CD2 395 4.407 2.666 4.320 0.2892 0.0211 0.3884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
398 25LEU HD21 396 4.469 2.666 4.230 -0.1781 -0.8203 0.0511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
399 25LEU HD22 397 4.463 2.717 4.398 -0.1434 -0.3830 0.9711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
400 25LEU HD23 398 4.404 2.561 4.350 1.4886 -0.0548 0.2869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
401 25LEU C 399 3.968 2.769 4.342 -0.0402 0.0218 -0.1188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
402 25LEU O 400 3.942 2.829 4.238 0.1216 -0.0272 -0.1891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
403 26GLY N 401 3.909 2.651 4.363 -0.0225 -0.0434 -0.4322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
404 26GLY H 402 3.947 2.605 4.444 -0.8916 -0.2644 -0.1406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
405 26GLY CA 403 3.808 2.574 4.293 0.0260 -0.1220 -0.4157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
406 26GLY HA1 404 3.861 2.536 4.206 -0.1427 0.5950 -0.8380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
407 26GLY HA2 405 3.784 2.496 4.365 -1.0205 -0.7974 -1.4583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
408 26GLY C 406 3.689 2.655 4.243 0.0965 0.2666 0.0306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
409 26GLY O 407 3.626 2.629 4.141 0.5368 0.0839 -0.2007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
410 27ASN N 408 3.655 2.758 4.320 -0.3064 0.1557 0.0021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
411 27ASN H 409 3.707 2.798 4.396 -2.0091 0.6805 0.9441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
412 27ASN CA 410 3.537 2.836 4.286 -0.3496 -0.0316 -0.2784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
413 27ASN HA 411 3.456 2.769 4.257 -0.2374 -0.7051 0.9006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
414 27ASN CB 412 3.490 2.918 4.406 -0.0028 -0.0554 -0.1247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
415 27ASN HB1 413 3.575 2.976 4.443 -0.1909 1.1565 -1.4848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
416 27ASN HB2 414 3.413 2.987 4.372 -2.3298 -1.3954 2.0638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
417 27ASN CG 415 3.431 2.832 4.516 0.5024 -0.6412 -0.3021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
418 27ASN OD1 416 3.316 2.789 4.517 -0.0188 0.7107 0.1179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
419 27ASN ND2 417 3.505 2.813 4.626 0.2527 -0.5502 -0.1164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
420 27ASN HD21 418 3.603 2.836 4.628 -0.4239 2.8231 0.2627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
421 27ASN HD22 419 3.466 2.777 4.712 0.7007 -2.3627 -0.6300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
422 27ASN C 420 3.569 2.932 4.172 0.5465 0.0769 0.0550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
423 27ASN O 421 3.477 2.958 4.094 0.2655 -0.3457 0.2406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
424 28TRP N 422 3.695 2.974 4.163 0.4966 0.2587 0.1976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
425 28TRP H 423 3.770 2.946 4.225 1.4000 1.0798 -0.4867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
426 28TRP CA 424 3.740 3.060 4.055 0.2276 -0.0177 -0.1382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
427 28TRP HA 425 3.668 3.140 4.039 1.2847 1.2721 1.1914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
428 28TRP CB 426 3.870 3.125 4.104 0.0993 0.6431 -0.6549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
429 28TRP HB1 427 3.948 3.049 4.108 -0.0358 0.4060 -2.0405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
430 28TRP HB2 428 3.901 3.196 4.027 -1.8730 1.0177 -1.1553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
431 28TRP CG 429 3.851 3.204 4.230 0.0517 -0.1910 -0.1277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
432 28TRP CD1 430 3.870 3.158 4.356 -0.7694 -0.1876 -0.0009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
433 28TRP HD1 431 3.903 3.058 4.379 2.8215 1.1241 1.1794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
434 28TRP CD2 432 3.821 3.346 4.240 0.0957 -0.2010 0.1458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
435 28TRP NE1 433 3.845 3.264 4.441 -0.2930 -0.0323 -0.0493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
436 28TRP HE1 434 3.861 3.267 4.541 -0.2517 1.7501 -0.0843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
437 28TRP CE2 435 3.813 3.382 4.377 -0.0428 0.0957 0.0611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
438 28TRP CE3 436 3.806 3.450 4.146 -0.0116 -0.2998 0.0545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
439 28TRP HE3 437 3.795 3.424 4.042 0.8221 -0.0026 -0.1132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
440 28TRP CZ2 438 3.804 3.514 4.423 -0.0022 0.1335 -0.0382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
441 28TRP HZ2 439 3.812 3.539 4.528 -1.2374 -2.6138 0.8026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
442 28TRP CZ3 440 3.800 3.582 4.191 -0.4508 -0.3064 0.0231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
443 28TRP HZ3 441 3.799 3.662 4.118 0.3341 0.1201 0.4711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
444 28TRP CH2 442 3.798 3.616 4.327 -0.0338 0.1028 -0.0694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
445 28TRP HH2 443 3.794 3.718 4.361 -1.2271 0.1251 -0.2281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
446 28TRP C 444 3.759 2.986 3.924 -0.0226 0.3621 -0.3875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
447 28TRP O 445 3.718 3.032 3.817 0.4841 0.5243 -0.5132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
448 29VAL N 446 3.810 2.864 3.940 0.1147 0.4340 -0.2791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
449 29VAL H 447 3.833 2.843 4.036 -2.7226 1.2543 0.6936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
450 29VAL CA 448 3.830 2.770 3.832 0.3230 0.0580 0.0816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
451 29VAL HA 449 3.885 2.830 3.758 0.3593 -1.4682 -1.1774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
452 29VAL CB 450 3.928 2.660 3.873 -0.3746 -0.5575 0.1081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
453 29VAL HB 451 3.888 2.594 3.950 -1.7560 1.0506 0.8321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
454 29VAL CG1 452 3.971 2.582 3.749 0.6582 -0.2334 0.2510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
455 29VAL HG11 453 4.042 2.502 3.766 2.2796 0.9757 -0.5710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
456 29VAL HG12 454 3.878 2.536 3.715 -0.5225 -0.9946 4.0009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
457 29VAL HG13 455 4.014 2.642 3.669 -1.4886 -0.0594 -0.8574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
458 29VAL CG2 456 4.056 2.712 3.937 -0.4540 -0.1084 -0.0936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
459 29VAL HG21 457 4.109 2.625 3.976 -0.4205 0.1255 0.4029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
460 29VAL HG22 458 4.116 2.752 3.855 -2.2003 -0.9365 -1.8351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
461 29VAL HG23 459 4.056 2.785 4.019 2.4097 -0.4649 0.3305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
462 29VAL C 460 3.696 2.722 3.780 0.3307 0.0886 0.0342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
463 29VAL O 461 3.684 2.716 3.658 0.4763 0.2146 0.0152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
464 30CYS N 462 3.594 2.707 3.865 -0.0277 0.1790 -0.3742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
465 30CYS H 463 3.613 2.692 3.963 0.4494 -0.4083 -0.5513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
466 30CYS CA 464 3.459 2.679 3.821 -0.0984 0.0393 -0.0701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
467 30CYS HA 465 3.469 2.602 3.744 2.6058 1.0605 -0.8444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
468 30CYS CB 466 3.366 2.645 3.938 -0.1112 -0.1378 -0.1302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
469 30CYS HB1 467 3.417 2.559 3.980 0.2838 -1.1895 -2.5874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
470 30CYS HB2 468 3.361 2.727 4.010 0.2046 -0.1936 -0.0417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
471 30CYS SG 469 3.199 2.585 3.904 -0.2363 -0.0979 0.4089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
472 30CYS C 470 3.401 2.800 3.750 0.7666 0.2568 -0.4203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
473 30CYS O 471 3.334 2.779 3.649 -0.3502 0.3524 0.2854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
474 31ALA N 472 3.408 2.919 3.810 -0.1653 0.1056 0.0038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
475 31ALA H 473 3.463 2.936 3.893 -1.9647 2.8282 0.7640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
476 31ALA CA 474 3.353 3.041 3.755 -0.4669 -0.1088 -0.1720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
477 31ALA HA 475 3.246 3.030 3.739 -0.2750 -0.1891 -1.4378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
478 31ALA CB 476 3.364 3.149 3.863 0.1071 -0.4386 0.1010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
479 31ALA HB1 477 3.316 3.245 3.851 1.2845 0.0981 -0.5292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
480 31ALA HB2 478 3.322 3.114 3.957 -2.6272 0.2669 -0.7635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
481 31ALA HB3 479 3.466 3.182 3.883 -0.0998 -0.2029 0.7925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
482 31ALA C 480 3.427 3.085 3.630 -0.8748 -0.3583 -0.5039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
483 31ALA O 481 3.367 3.163 3.556 -0.5252 0.4766 0.0782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
484 32ALA N 482 3.549 3.041 3.600 -0.7421 -0.3876 0.0689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
485 32ALA H 483 3.613 3.012 3.673 0.6554 1.8149 -0.1708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
486 32ALA CA 484 3.616 3.084 3.479 -0.6466 0.1902 0.3233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
487 32ALA HA 485 3.571 3.180 3.452 -1.1117 -0.3254 -0.8191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
488 32ALA CB 486 3.768 3.089 3.493 -0.6054 -0.2683 0.0749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
489 32ALA HB1 487 3.817 3.111 3.398 -0.7124 0.8830 0.2642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
490 32ALA HB2 488 3.806 3.171 3.554 -0.2167 1.3188 -2.1666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
491 32ALA HB3 489 3.800 2.991 3.527 -2.8049 -2.1286 -2.8122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
492 32ALA C 490 3.584 2.984 3.368 0.1022 0.3789 -0.0690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
493 32ALA O 491 3.580 3.019 3.251 -0.0745 -0.1560 -0.2234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
494 33LYS N 492 3.546 2.861 3.404 -0.5403 0.5180 -0.2660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
495 33LYS H 493 3.540 2.859 3.505 2.8420 0.3217 0.0457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
496 33LYS CA 494 3.501 2.752 3.319 -0.2682 0.0426 0.1919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
497 33LYS HA 495 3.564 2.759 3.230 -1.0669 0.2628 -0.3644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
498 33LYS CB 496 3.500 2.616 3.388 0.3047 -0.1019 -0.0780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
499 33LYS HB1 497 3.601 2.590 3.420 0.3291 0.1969 0.0967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
500 33LYS HB2 498 3.441 2.649 3.474 0.1982 0.8779 -0.5183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
501 33LYS CG 499 3.432 2.497 3.320 -0.7889 0.3729 0.1680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
502 33LYS HG1 500 3.463 2.411 3.379 -0.8001 -0.6680 -1.3033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
503 33LYS HG2 501 3.323 2.504 3.323 -1.0551 -1.0131 -2.9084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
504 33LYS CD 502 3.476 2.472 3.176 -0.3516 -0.2907 0.4135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
505 33LYS HD1 503 3.443 2.554 3.113 2.0180 0.4056 -0.0243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
506 33LYS HD2 504 3.585 2.461 3.171 -0.0334 1.3875 2.1562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
507 33LYS CE 505 3.422 2.340 3.121 0.1865 -0.3149 -0.0671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
508 33LYS HE1 506 3.468 2.247 3.156 -2.2248 -1.5599 -0.0542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
509 33LYS HE2 507 3.317 2.341 3.149 0.0540 -0.4897 -0.5557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
510 33LYS NZ 508 3.438 2.337 2.975 0.9371 -0.1332 0.0038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
511 33LYS HZ1 509 3.377 2.261 2.946 0.3739 1.4883 -3.5920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
512 33LYS HZ2 510 3.407 2.423 2.933 -1.9749 -0.3716 1.4113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
513 33LYS HZ3 511 3.536 2.328 2.956 1.1669 -0.4000 1.2136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
514 33LYS C 512 3.364 2.792 3.266 -0.2214 -0.1867 -0.0999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
515 33LYS O 513 3.352 2.799 3.143 -0.3221 0.5386 -0.0508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
516 34PHE N 514 3.264 2.810 3.352 0.2293 0.1812 0.3511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
517 34PHE H 515 3.289 2.809 3.449 -0.1210 -1.1057 0.4488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
518 34PHE CA 516 3.124 2.816 3.314 0.3855 -0.0830 -0.2827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
519 34PHE HA 517 3.116 2.746 3.231 0.6609 -0.2883 -0.1378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
520 34PHE CB 518 3.045 2.778 3.440 0.8042 0.3930 0.1297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
521 34PHE HB1 519 3.069 2.837 3.528 0.8531 -0.2894 0.5801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
522 34PHE HB2 520 2.939 2.802 3.429 1.1780 1.6659 -0.9475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
523 34PHE CG 521 3.054 2.629 3.466 -0.1863 0.2601 -0.2427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
524 34PHE CD1 522 3.008 2.543 3.365 -0.1739 0.3630 -0.3358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
525 34PHE HD1 523 2.975 2.581 3.270 0.5035 -0.4689 -0.9087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
526 34PHE CD2 524 3.087 2.576 3.591 -0.6566 0.3498 -0.0791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
527 34PHE HD2 525 3.112 2.649 3.668 -0.9693 0.4069 -0.0289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
528 34PHE CE1 526 3.016 2.406 3.390 0.9260 0.5454 0.3962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
529 34PHE HE1 527 2.976 2.340 3.314 -1.8960 0.9593 1.4039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
530 34PHE CE2 528 3.095 2.438 3.612 -0.3997 0.3759 0.0003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
531 34PHE HE2 529 3.121 2.402 3.711 -3.0003 0.2850 0.7290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
532 34PHE CZ 530 3.051 2.350 3.513 -0.1856 -0.1760 0.3936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
533 34PHE HZ 531 3.051 2.245 3.540 -2.3986 -0.5062 -0.6392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
534 34PHE C 532 3.088 2.959 3.276 0.1691 -0.1480 -0.3212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
535 34PHE O 533 2.978 2.981 3.225 -0.0785 0.0707 0.3022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
536 35GLU N 534 3.182 3.053 3.276 0.3036 -0.2822 -0.1633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
537 35GLU H 535 3.260 3.045 3.339 -0.1583 -0.5848 0.3795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
538 35GLU CA 536 3.153 3.187 3.228 0.2047 -0.0300 0.5841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
539 35GLU HA 537 3.047 3.211 3.217 0.0710 -0.4980 0.8001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
540 35GLU CB 538 3.221 3.289 3.318 0.1441 0.3627 0.1871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
541 35GLU HB1 539 3.314 3.249 3.359 0.3609 -1.0027 -1.5586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
542 35GLU HB2 540 3.245 3.384 3.270 -2.9618 1.3106 0.2936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
543 35GLU CG 541 3.137 3.338 3.436 0.4913 -0.3758 0.7461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
544 35GLU HG1 542 3.109 3.253 3.499 2.8542 -1.2757 0.6718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
545 35GLU HG2 543 3.199 3.396 3.504 3.4225 -2.5159 0.0924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
546 35GLU CD 544 3.010 3.417 3.409 0.3568 -0.6104 0.6851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
547 35GLU OE1 545 2.978 3.431 3.289 0.8579 0.0827 0.6259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
548 35GLU OE2 546 2.943 3.463 3.504 0.0814 0.3704 0.0274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
549 35GLU C 547 3.215 3.197 3.090 0.1381 -0.5774 0.5126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
550 35GLU O 548 3.158 3.251 2.995 0.5722 0.0009 0.5778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
551 36SER N 549 3.336 3.144 3.071 0.1559 -0.5432 0.5312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
552 36SER H 550 3.388 3.098 3.144 0.2962 -2.0103 -0.4480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
553 36SER CA 551 3.409 3.175 2.950 -0.2745 -0.3460 0.3209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
554 36SER HA 552 3.351 3.237 2.882 -0.2856 0.3686 0.9594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
555 36SER CB 553 3.538 3.255 2.971 -0.1728 -0.1850 -0.8638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
556 36SER HB1 554 3.575 3.280 2.871 -0.7553 0.1146 -1.0103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
557 36SER HB2 555 3.524 3.352 3.020 1.9373 -0.1513 -0.2339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
558 36SER OG 556 3.640 3.187 3.040 -0.2104 0.2490 -0.3705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
559 36SER HG 557 3.636 3.202 3.133 2.6159 0.2968 -0.1466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
560 36SER C 558 3.449 3.060 2.860 -0.0727 0.0980 -0.1596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
561 36SER O 559 3.459 3.076 2.738 -0.7879 -0.0508 -0.2390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
562 37ASN N 560 3.481 2.950 2.928 0.2937 0.3952 0.1580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
563 37ASN H 561 3.462 2.943 3.027 -2.2309 0.3973 -0.2466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
564 37ASN CA 562 3.535 2.827 2.873 -0.4356 -0.2379 0.8248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
565 37ASN HA 563 3.503 2.755 2.948 3.2223 -2.6826 0.3055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
566 37ASN CB 564 3.476 2.779 2.741 0.7702 0.0881 0.1537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
567 37ASN HB1 565 3.370 2.802 2.736 1.2554 2.4648 -0.3545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
568 37ASN HB2 566 3.523 2.828 2.655 -1.2102 -1.4812 -1.9485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
569 37ASN CG 567 3.496 2.629 2.724 0.3162 0.0161 0.2399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
570 37ASN OD1 568 3.474 2.556 2.820 0.4870 -0.4605 -0.0763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
571 37ASN ND2 569 3.550 2.582 2.611 0.3441 -0.2233 0.3531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
572 37ASN HD21 570 3.589 2.647 2.545 -0.8282 1.5555 1.3229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
573 37ASN HD22 571 3.563 2.483 2.595 0.1351 -0.1353 -0.3659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
574 37ASN C 572 3.687 2.827 2.885 -0.3714 0.3088 0.0364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
575 37ASN O 573 3.761 2.762 2.811 0.0055 0.0095 0.6760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
576 38PHE N 574 3.745 2.915 2.967 -0.0306 0.0424 0.0818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
577 38PHE H 575 3.676 2.972 3.013 -0.2130 -1.2385 1.4524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
578 38PHE CA 576 3.885 2.942 2.993 -0.0288 0.1161 -0.0046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
579 38PHE HA 577 3.881 3.000 3.085 2.0617 -0.8553 0.7467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
580 38PHE CB 578 3.968 2.816 3.018 0.3818 0.4473 0.3288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
581 38PHE HB1 579 3.996 2.780 2.919 -0.1322 1.3007 -0.1397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
582 38PHE HB2 580 4.060 2.848 3.066 -0.1720 1.0866 0.9959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
583 38PHE CG 581 3.913 2.708 3.107 0.4557 0.0629 -0.0860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
584 38PHE CD1 582 3.857 2.746 3.230 -0.1024 0.0558 -0.3361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
585 38PHE HD1 583 3.838 2.850 3.250 1.1125 0.3716 -0.7576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
586 38PHE CD2 584 3.930 2.572 3.078 0.0586 0.0824 -0.4105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
587 38PHE HD2 585 3.975 2.544 2.984 -2.5884 0.5268 -1.9073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
588 38PHE CE1 586 3.838 2.649 3.330 -0.0105 0.1096 -0.2670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
589 38PHE HE1 587 3.802 2.661 3.431 -0.4432 -1.8185 -0.1513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
590 38PHE CE2 588 3.903 2.473 3.174 -0.1862 0.2948 -0.2578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
591 38PHE HE2 589 3.926 2.369 3.156 0.9811 0.0579 2.2000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
592 38PHE CZ 590 3.863 2.514 3.301 -0.0686 0.0744 -0.1489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
593 38PHE HZ 591 3.862 2.443 3.382 2.9361 -1.4802 -1.3230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
594 38PHE C 592 3.951 3.028 2.886 0.0739 -0.1192 -0.1326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
595 38PHE O 593 4.074 3.038 2.885 0.0830 -0.2235 -0.0937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
596 39ASN N 594 3.871 3.098 2.804 -0.2913 -0.4447 -0.0565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
597 39ASN H 595 3.771 3.094 2.816 -0.0429 -1.3090 2.3882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
598 39ASN CA 596 3.913 3.187 2.698 -0.1976 -0.2493 0.1421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
599 39ASN HA 597 4.006 3.162 2.645 1.8282 2.4668 2.1328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
600 39ASN CB 598 3.807 3.179 2.588 0.5517 -0.4429 -0.5764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
601 39ASN HB1 599 3.798 3.073 2.565 -1.0309 -0.3894 -0.2897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
602 39ASN HB2 600 3.710 3.213 2.624 0.9215 0.4669 -0.4061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
603 39ASN CG 601 3.840 3.236 2.450 0.1951 0.1576 -0.4195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
604 39ASN OD1 602 3.958 3.236 2.414 0.4624 -0.0079 0.4332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
605 39ASN ND2 603 3.744 3.293 2.377 0.2201 0.3957 -0.2680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
606 39ASN HD21 604 3.654 3.288 2.423 0.3274 2.1039 0.2018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
607 39ASN HD22 605 3.757 3.352 2.297 -1.0020 0.7931 -0.1945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
608 39ASN C 606 3.922 3.331 2.747 0.0682 -0.1140 -0.2962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
609 39ASN O 607 3.830 3.387 2.806 0.3062 -0.2766 0.2331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
610 40THR N 608 4.032 3.395 2.707 0.3199 -0.0993 0.4133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
611 40THR H 609 4.091 3.338 2.649 -1.9451 -2.6245 0.4136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
612 40THR CA 610 4.074 3.528 2.747 0.2655 -0.0278 0.2315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
613 40THR HA 611 4.041 3.541 2.850 -0.4436 -1.7294 0.2533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
614 40THR CB 612 4.226 3.533 2.739 0.2624 -0.0785 0.1249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
615 40THR HB 613 4.251 3.637 2.759 0.3312 0.0456 -0.5761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
616 40THR OG1 614 4.281 3.506 2.612 0.2432 -0.1464 0.1308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
617 40THR HG1 615 4.327 3.580 2.575 -0.9857 -0.1887 -1.6433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
618 40THR CG2 616 4.283 3.445 2.850 0.1358 -0.8824 -0.4393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
619 40THR HG21 617 4.391 3.446 2.864 -0.1331 -0.1422 2.0316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
620 40THR HG22 618 4.258 3.475 2.952 -0.4317 0.2037 -0.8902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
621 40THR HG23 619 4.257 3.339 2.841 -0.6519 -0.6973 -0.3545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
622 40THR C 620 3.999 3.626 2.658 0.1802 -0.3005 -0.0001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
623 40THR O 621 3.949 3.729 2.705 0.1539 -0.3954 0.1820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
624 41GLN N 622 3.987 3.582 2.533 0.2771 0.5436 -0.3173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
625 41GLN H 623 4.047 3.504 2.510 -4.2235 -3.3025 -0.5947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
626 41GLN CA 624 3.931 3.660 2.424 0.2046 0.4361 -0.3573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
627 41GLN HA 625 3.957 3.765 2.421 -1.0832 0.7502 -1.7118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
628 41GLN CB 626 3.982 3.594 2.296 -0.3330 -0.5801 -0.0659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
629 41GLN HB1 627 3.952 3.490 2.289 -0.8641 -0.4538 0.2333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
630 41GLN HB2 628 3.939 3.648 2.211 0.9977 0.3028 -0.2091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
631 41GLN CG 629 4.131 3.616 2.269 -0.3876 -0.2321 -0.0943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
632 41GLN HG1 630 4.197 3.590 2.352 0.6850 0.6158 -0.6571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
633 41GLN HG2 631 4.159 3.558 2.181 -1.6008 -2.8351 1.1377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
634 41GLN CD 632 4.165 3.756 2.219 0.0758 -0.2745 0.1001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
635 41GLN OE1 633 4.156 3.775 2.098 0.0732 -0.2836 0.0988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
636 41GLN NE2 634 4.208 3.851 2.303 -0.0251 0.1832 -0.3628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
637 41GLN HE21 635 4.208 3.843 2.404 0.0013 -3.3001 -0.5034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
638 41GLN HE22 636 4.226 3.943 2.267 3.7962 0.6956 2.3359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
639 41GLN C 637 3.779 3.670 2.430 0.2017 0.0829 0.3695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
640 41GLN O 638 3.727 3.705 2.324 0.6231 0.0064 0.1350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
641 42ALA N 639 3.707 3.616 2.528 0.0908 -0.6062 -0.0828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
642 42ALA H 640 3.758 3.575 2.605 -0.4474 -1.7172 -0.3076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
643 42ALA CA 641 3.564 3.593 2.522 -0.0515 0.2006 0.0611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
644 42ALA HA 642 3.534 3.545 2.429 0.9475 0.2388 -0.2846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
645 42ALA CB 643 3.535 3.498 2.639 0.4622 -0.2948 -0.2086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
646 42ALA HB1 644 3.429 3.485 2.661 0.5227 -2.7500 -1.0967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
647 42ALA HB2 645 3.586 3.405 2.614 0.1240 -0.1483 -1.5094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
648 42ALA HB3 646 3.584 3.536 2.728 2.9362 -1.5634 -0.9419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
649 42ALA C 647 3.482 3.719 2.548 0.3896 0.5595 -0.2815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
650 42ALA O 648 3.514 3.797 2.638 -0.2522 0.3129 0.1667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
651 43THR N 649 3.383 3.744 2.462 0.1192 0.0486 -0.1233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
652 43THR H 650 3.361 3.675 2.392 -1.3678 -1.2871 1.5599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
653 43THR CA 651 3.295 3.859 2.465 0.0541 -0.0022 -0.0949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
654 43THR HA 652 3.290 3.912 2.560 -1.9438 0.1414 -0.2356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
655 43THR CB 653 3.358 3.960 2.369 0.0104 0.1294 0.0142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
656 43THR HB 654 3.284 4.040 2.366 -0.2054 -0.0486 0.5105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
657 43THR OG1 655 3.365 3.919 2.234 0.6779 0.0337 0.0763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
658 43THR HG1 656 3.278 3.929 2.198 1.4122 1.4997 -1.4373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
659 43THR CG2 657 3.497 4.016 2.401 0.2787 -0.3497 -0.2947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
660 43THR HG21 658 3.524 4.108 2.351 2.3171 -0.2731 0.8706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
661 43THR HG22 659 3.502 4.031 2.509 -0.0283 0.2523 -0.3591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
662 43THR HG23 660 3.573 3.939 2.387 -0.6115 -1.6095 1.3163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
663 43THR C 661 3.152 3.808 2.454 -0.1677 0.6590 -0.3244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
664 43THR O 662 3.129 3.698 2.406 0.1762 0.6507 -0.4719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
665 44ASN N 663 3.055 3.876 2.516 0.0579 0.4746 0.2419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
666 44ASN H 664 3.081 3.958 2.568 0.6980 0.8468 -0.6467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
667 44ASN CA 665 2.914 3.842 2.526 0.1918 -0.0151 0.4635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
668 44ASN HA 666 2.875 3.788 2.440 -1.0422 1.3712 0.1313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
669 44ASN CB 667 2.891 3.760 2.653 0.6094 -0.7358 0.0803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
670 44ASN HB1 668 2.933 3.660 2.639 1.5438 -0.2417 -0.7297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
671 44ASN HB2 669 2.945 3.795 2.741 2.1861 1.1644 -1.5545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
672 44ASN CG 670 2.746 3.719 2.677 0.3181 0.0165 -0.3639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
673 44ASN OD1 671 2.687 3.640 2.604 0.1262 -0.4921 0.3349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
674 44ASN ND2 672 2.692 3.767 2.789 0.1692 -0.9326 -0.0164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
675 44ASN HD21 673 2.736 3.835 2.851 -0.4980 -2.2482 1.9905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
676 44ASN HD22 674 2.596 3.742 2.807 -0.2927 -0.3351 -1.4817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
677 44ASN C 675 2.847 3.978 2.531 0.1081 -0.0365 -0.1047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
678 44ASN O 676 2.859 4.045 2.633 -0.1310 0.3858 -0.3495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
679 45ARG N 677 2.768 4.019 2.431 -0.1365 -0.3331 -0.0329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
680 45ARG H 678 2.754 3.943 2.367 2.3597 -2.0925 1.3352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
681 45ARG CA 679 2.691 4.142 2.431 0.5783 0.1226 0.0499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
682 45ARG HA 680 2.741 4.225 2.482 -0.2656 1.0596 -0.6113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
683 45ARG CB 681 2.654 4.175 2.287 -0.6147 -0.5613 0.1857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
684 45ARG HB1 682 2.746 4.164 2.229 -0.5492 -2.3685 0.5802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
685 45ARG HB2 683 2.610 4.085 2.243 1.8817 -1.4631 -0.6630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
686 45ARG CG 684 2.572 4.299 2.249 0.0702 -0.2482 -0.2932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
687 45ARG HG1 685 2.543 4.288 2.145 -2.8327 -2.1953 0.5939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
688 45ARG HG2 686 2.474 4.300 2.297 0.3528 -0.7826 0.3158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
689 45ARG CD 687 2.635 4.433 2.286 0.0067 -0.2804 -0.0616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
690 45ARG HD1 688 2.575 4.496 2.351 1.5158 0.4077 0.7226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
691 45ARG HD2 689 2.718 4.426 2.356 1.0097 0.7286 -1.1045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
692 45ARG NE 690 2.690 4.506 2.171 -0.3486 -0.1489 -0.1474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
693 45ARG HE 691 2.787 4.485 2.152 -0.2307 0.2799 -0.0214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
694 45ARG CZ 692 2.631 4.588 2.083 0.3759 0.6551 0.1050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
695 45ARG NH1 693 2.502 4.614 2.110 0.2980 0.4357 -0.0441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
696 45ARG HH11 694 2.452 4.568 2.184 2.3231 -1.9325 -0.0165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
697 45ARG HH12 695 2.446 4.682 2.061 0.8137 2.4123 1.9429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
698 45ARG NH2 696 2.698 4.647 1.983 0.5157 0.1518 -0.1017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
699 45ARG HH21 697 2.793 4.614 1.973 0.8757 1.0048 0.3775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
700 45ARG HH22 698 2.662 4.717 1.920 -0.3968 -0.4326 -0.2429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
701 45ARG C 699 2.557 4.125 2.502 0.6141 0.3982 0.1822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
702 45ARG O 700 2.493 4.023 2.477 -0.1346 0.7666 0.5718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
703 46ASN N 701 2.516 4.224 2.582 0.4185 0.3392 0.1542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
704 46ASN H 702 2.577 4.304 2.594 -1.6509 1.8557 1.2251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
705 46ASN CA 703 2.398 4.246 2.663 0.0226 -0.0699 -0.3050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
706 46ASN HA 704 2.341 4.154 2.673 -1.8101 0.9452 -0.8766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
707 46ASN CB 705 2.440 4.283 2.805 -0.4252 -0.3284 -0.1040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
708 46ASN HB1 706 2.457 4.391 2.811 1.3998 -0.6568 1.6128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
709 46ASN HB2 707 2.354 4.264 2.869 -2.5367 -0.9559 -2.9304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
710 46ASN CG 708 2.560 4.211 2.864 -0.0078 0.1991 -0.3048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
711 46ASN OD1 709 2.676 4.241 2.835 0.2803 -0.5413 0.0532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
712 46ASN ND2 710 2.537 4.110 2.948 0.6970 -0.1203 -0.4880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
713 46ASN HD21 711 2.441 4.083 2.967 0.9684 0.0842 1.2917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
714 46ASN HD22 712 2.613 4.047 2.970 1.5327 0.7832 -0.7633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
715 46ASN C 713 2.296 4.347 2.611 -0.1261 0.1863 0.4792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
716 46ASN O 714 2.336 4.433 2.534 0.2380 0.3195 0.8168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
717 47THR N 715 2.170 4.335 2.654 -0.1943 0.0031 0.2306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
718 47THR H 716 2.153 4.263 2.722 0.7624 0.0779 0.5586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
719 47THR CA 717 2.044 4.393 2.610 -0.2581 -0.2534 0.0707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
720 47THR HA 718 2.044 4.380 2.502 0.6620 -2.1106 0.2553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
721 47THR CB 719 1.926 4.313 2.664 -0.3209 0.1691 0.5685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
722 47THR HB 720 1.840 4.379 2.681 2.8186 4.7623 0.3490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
723 47THR OG1 721 1.950 4.258 2.792 -0.3301 0.1072 0.5439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
724 47THR HG1 722 1.861 4.245 2.823 -0.5083 2.2935 1.1478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
725 47THR CG2 723 1.892 4.189 2.582 0.0743 0.2622 0.2594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
726 47THR HG21 724 1.812 4.128 2.625 -0.9472 0.8438 -0.7840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
727 47THR HG22 725 1.870 4.226 2.483 -0.3584 -2.4283 -0.7433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
728 47THR HG23 726 1.983 4.130 2.574 0.3240 0.8601 -1.8163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
729 47THR C 727 2.041 4.544 2.631 0.2010 -0.2372 0.0446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
730 47THR O 728 2.019 4.627 2.543 0.4962 0.3836 0.5447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
731 48ASP N 729 2.089 4.584 2.749 0.0903 -0.3034 0.1136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
732 48ASP H 730 2.108 4.516 2.821 2.4505 1.9830 1.8388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
733 48ASP CA 731 2.116 4.718 2.798 -0.1468 -0.2245 0.0328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
734 48ASP HA 732 2.021 4.771 2.786 -0.0633 -0.1026 -0.1083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
735 48ASP CB 733 2.149 4.717 2.947 -0.3576 -0.5555 0.0805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
736 48ASP HB1 734 2.133 4.820 2.980 1.2782 -1.2116 3.3147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
737 48ASP HB2 735 2.070 4.661 2.997 -1.6980 0.9326 -0.2868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
738 48ASP CG 736 2.281 4.661 2.999 0.3747 1.0261 -0.0050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
739 48ASP OD1 737 2.374 4.626 2.924 0.0677 0.2627 -0.0412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
740 48ASP OD2 738 2.300 4.667 3.122 0.0452 0.7014 0.0643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
741 48ASP C 739 2.222 4.800 2.725 -0.9586 0.0811 -0.8237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
742 48ASP O 740 2.224 4.923 2.735 -0.3417 -0.0342 0.8297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
743 49GLY N 741 2.302 4.740 2.637 0.4108 0.1143 0.3621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
744 49GLY H 742 2.299 4.639 2.630 1.5084 0.0780 0.3052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
745 49GLY CA 743 2.408 4.801 2.560 0.1719 0.4961 0.3340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
746 49GLY HA1 744 2.389 4.787 2.454 2.1537 -1.3753 0.1604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
747 49GLY HA2 745 2.427 4.908 2.569 2.6325 0.4273 -2.5973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
748 49GLY C 746 2.546 4.748 2.598 0.2067 0.3989 0.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
749 49GLY O 747 2.641 4.754 2.521 0.1892 0.5961 0.0622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
750 50SER N 748 2.562 4.689 2.717 -0.1138 -0.9557 -0.5305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
751 50SER H 749 2.486 4.693 2.783 1.3993 0.7704 1.2257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
752 50SER CA 750 2.696 4.664 2.766 -0.1468 0.1907 0.1760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
753 50SER HA 751 2.767 4.744 2.746 -0.5453 0.7132 0.8095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
754 50SER CB 752 2.697 4.652 2.919 0.4122 0.1321 0.1706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
755 50SER HB1 753 2.791 4.670 2.970 0.5039 0.2107 -0.0265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
756 50SER HB2 754 2.644 4.744 2.946 0.2439 0.3740 -0.9373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
757 50SER OG 755 2.626 4.540 2.966 -0.1362 0.4439 0.0960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
758 50SER HG 756 2.534 4.559 2.952 -0.8358 -2.7908 -0.6080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
759 50SER C 757 2.754 4.536 2.709 -0.2533 0.4865 -0.5983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
760 50SER O 758 2.697 4.469 2.622 -0.7788 -0.1695 0.2360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
761 51THR N 759 2.876 4.496 2.746 -0.6178 -0.3097 -0.2251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
762 51THR H 760 2.924 4.562 2.806 0.2902 -1.4591 0.3342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
763 51THR CA 761 2.947 4.375 2.711 -0.4764 -0.3837 0.3108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
764 51THR HA 762 2.878 4.301 2.671 -0.5169 0.7350 -1.8532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
765 51THR CB 763 3.031 4.413 2.589 -0.0182 -0.4566 0.6017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
766 51THR HB 764 3.102 4.493 2.611 0.5947 -0.6657 -0.5626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
767 51THR OG1 765 2.940 4.453 2.488 0.0003 -0.9416 0.3945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
768 51THR HG1 766 2.857 4.470 2.530 -0.5565 -1.6902 -0.3775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
769 51THR CG2 767 3.098 4.294 2.521 0.0920 -0.1246 0.1262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
770 51THR HG21 768 3.161 4.324 2.437 1.6122 -1.7970 0.5895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
771 51THR HG22 769 3.163 4.246 2.594 -1.6710 -1.4530 0.8878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
772 51THR HG23 770 3.033 4.217 2.482 2.3051 -1.1706 -1.7482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
773 51THR C 771 3.028 4.315 2.825 0.0990 0.1366 0.1790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
774 51THR O 772 3.087 4.380 2.911 -0.0607 -0.3141 0.6363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
775 52ASP N 773 3.017 4.183 2.842 0.1889 0.0749 -0.2186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
776 52ASP H 774 2.962 4.130 2.776 0.0259 0.2022 -0.1851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
777 52ASP CA 775 3.089 4.103 2.940 -0.0480 -0.4852 -0.4957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
778 52ASP HA 776 3.096 4.160 3.033 1.8058 -1.1321 -0.2035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
779 52ASP CB 777 3.006 3.978 2.970 0.1465 -0.4678 0.1259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
780 52ASP HB1 778 2.982 3.937 2.872 1.5602 -0.2034 -0.3661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
781 52ASP HB2 779 3.072 3.911 3.025 1.4341 0.3222 -0.3909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
782 52ASP CG 780 2.875 3.998 3.044 -0.1205 0.2931 -0.5275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
783 52ASP OD1 781 2.858 4.077 3.139 -0.2608 0.0337 -0.3359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
784 52ASP OD2 782 2.787 3.918 3.006 0.2091 -0.3032 -0.0702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
785 52ASP C 783 3.224 4.062 2.882 0.2105 0.4947 -0.6068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
786 52ASP O 784 3.219 4.002 2.775 -0.0565 0.5336 -0.6185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
787 53TYR N 785 3.335 4.115 2.934 -0.0372 0.4297 -0.0005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
788 53TYR H 786 3.338 4.158 3.025 -0.7232 0.8329 -0.1628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
789 53TYR CA 787 3.465 4.088 2.876 -0.0745 -0.1648 0.1789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
790 53TYR HA 788 3.446 4.036 2.782 -1.9579 2.7834 -1.2277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
791 53TYR CB 789 3.534 4.224 2.861 -0.5716 0.0971 0.2473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
792 53TYR HB1 790 3.514 4.269 2.958 1.3494 -0.0556 0.7526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
793 53TYR HB2 791 3.643 4.217 2.856 -0.6941 -1.8680 -0.5313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
794 53TYR CG 792 3.496 4.322 2.752 0.1441 0.2088 0.0893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
795 53TYR CD1 793 3.575 4.336 2.638 0.7671 0.0083 0.4896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
796 53TYR HD1 794 3.665 4.278 2.623 1.8735 1.6110 0.6824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
797 53TYR CD2 795 3.383 4.402 2.776 -0.2304 -0.3613 0.2728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
798 53TYR HD2 796 3.337 4.402 2.874 0.2171 -0.0799 0.4868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
799 53TYR CE1 797 3.531 4.419 2.534 0.4113 -0.6310 0.1201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
800 53TYR HE1 798 3.583 4.425 2.440 -0.5595 0.7551 -0.3541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
801 53TYR CE2 799 3.357 4.499 2.678 0.5390 -0.0718 0.3462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
802 53TYR HE2 800 3.280 4.572 2.695 1.4478 0.7772 0.9470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
803 53TYR CZ 801 3.423 4.506 2.555 0.3617 -0.7144 0.2103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
804 53TYR OH 802 3.405 4.599 2.457 0.0496 0.2435 1.1601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
805 53TYR HH 803 3.329 4.654 2.469 1.2490 2.0098 1.0159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
806 53TYR C 804 3.555 4.000 2.962 0.3222 -0.1359 -0.2016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
807 53TYR O 805 3.574 4.022 3.081 -0.4006 0.5505 -0.1997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
808 54GLY N 806 3.606 3.895 2.898 -0.2802 -0.2732 -0.4704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
809 54GLY H 807 3.586 3.884 2.800 0.2227 -1.1648 -0.4884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
810 54GLY CA 808 3.720 3.821 2.950 -0.5161 -0.2231 0.1245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
811 54GLY HA1 809 3.794 3.808 2.871 0.3330 -0.0749 0.8766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
812 54GLY HA2 810 3.773 3.878 3.027 -1.2614 1.4854 -0.5749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
813 54GLY C 811 3.693 3.683 3.008 0.1512 -0.5170 -0.2580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
814 54GLY O 812 3.583 3.631 2.991 -0.5944 0.9072 0.1130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
815 55ILE N 813 3.793 3.622 3.073 0.1636 -0.0241 0.1950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
816 55ILE H 814 3.881 3.669 3.065 1.0327 -1.7157 -0.8716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
817 55ILE CA 815 3.795 3.490 3.132 0.0669 -0.2259 -0.2412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
818 55ILE HA 816 3.757 3.429 3.051 0.9188 -0.3984 -0.5257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
819 55ILE CB 817 3.937 3.439 3.159 0.0640 0.0739 0.3518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
820 55ILE HB 818 3.995 3.450 3.067 -0.0506 1.5215 0.4231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
821 55ILE CG1 819 3.933 3.288 3.182 0.1561 0.1430 0.8296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
822 55ILE HG11 820 3.900 3.277 3.286 -1.0219 2.9195 0.8571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
823 55ILE HG12 821 3.876 3.238 3.104 2.7318 -0.9478 -0.4560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
824 55ILE CG2 822 4.012 3.513 3.271 -0.0082 -0.2307 0.6028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
825 55ILE HG21 823 4.118 3.501 3.252 -0.5488 -1.9393 -1.8584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
826 55ILE HG22 824 4.007 3.622 3.267 2.2666 -0.0991 0.2973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
827 55ILE HG23 825 3.980 3.468 3.365 0.9247 -0.3769 0.8622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
828 55ILE CD 826 4.073 3.227 3.172 0.0721 0.1067 -0.1685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
829 55ILE HD1 827 4.075 3.118 3.178 -0.2164 0.0216 -1.3081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
830 55ILE HD2 828 4.120 3.260 3.080 0.6230 2.4928 0.8931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
831 55ILE HD3 829 4.142 3.261 3.248 1.9747 1.1734 -2.2705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
832 55ILE C 830 3.696 3.472 3.246 -0.0726 0.0829 -0.3137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
833 55ILE O 831 3.655 3.360 3.275 -0.5513 0.3554 0.0837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
834 56LEU N 832 3.655 3.580 3.313 -0.0546 0.3616 -0.7476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
835 56LEU H 833 3.692 3.669 3.285 0.1839 0.5491 0.1348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
836 56LEU CA 834 3.547 3.576 3.410 0.4181 0.5311 -0.2094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
837 56LEU HA 835 3.504 3.478 3.433 -0.8291 1.0063 -0.4302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
838 56LEU CB 836 3.594 3.634 3.544 0.0938 -0.0689 0.1696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
839 56LEU HB1 837 3.637 3.732 3.528 -0.2117 -0.2217 -1.8674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
840 56LEU HB2 838 3.518 3.649 3.621 0.8286 -2.8652 1.5842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
841 56LEU CG 839 3.717 3.566 3.603 0.2178 -0.2231 -0.2600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
842 56LEU HG 840 3.793 3.564 3.525 -0.0966 -0.8772 -0.5514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
843 56LEU CD1 841 3.779 3.650 3.715 -0.2679 -0.2574 0.0384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
844 56LEU HD11 842 3.866 3.600 3.759 -1.3580 -1.6126 0.7184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
845 56LEU HD12 843 3.805 3.752 3.687 -2.8609 0.7092 0.8763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
846 56LEU HD13 844 3.713 3.679 3.796 0.3659 1.4480 -0.0032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
847 56LEU CD2 845 3.692 3.423 3.652 -0.3759 0.0234 0.1703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
848 56LEU HD21 846 3.784 3.375 3.687 1.0997 0.6038 -2.6070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
849 56LEU HD22 847 3.617 3.426 3.731 -1.9149 -0.7363 -1.2000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
850 56LEU HD23 848 3.653 3.362 3.571 -0.3285 -0.7654 0.7301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
851 56LEU C 849 3.428 3.660 3.367 0.1444 0.2293 -0.0489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
852 56LEU O 850 3.328 3.663 3.439 0.0923 0.3957 -0.1282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
853 57GLN N 851 3.424 3.719 3.247 -0.3242 -0.1420 -0.2191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
854 57GLN H 852 3.510 3.720 3.194 -0.7505 -0.4131 -0.9261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
855 57GLN CA 853 3.307 3.780 3.187 -0.1846 0.4645 0.1211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
856 57GLN HA 854 3.344 3.835 3.100 -0.5922 0.4091 -0.0867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
857 57GLN CB 855 3.197 3.679 3.155 0.1411 0.0340 0.3391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
858 57GLN HB1 856 3.165 3.620 3.241 0.9807 -0.6402 0.1949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
859 57GLN HB2 857 3.101 3.723 3.127 -0.1220 0.7501 2.1860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
860 57GLN CG 858 3.245 3.580 3.050 0.0971 0.0769 0.2784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
861 57GLN HG1 859 3.346 3.538 3.054 -0.0882 -0.3870 0.1615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
862 57GLN HG2 860 3.173 3.499 3.062 0.6435 -0.7090 -1.4318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
863 57GLN CD 861 3.232 3.636 2.909 -0.1110 -0.1217 0.2179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
864 57GLN OE1 862 3.131 3.625 2.840 -0.0838 0.2164 0.1209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
865 57GLN NE2 863 3.339 3.692 2.852 -0.6403 0.4059 -0.2710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
866 57GLN HE21 864 3.424 3.692 2.905 -1.0106 2.0307 0.3920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
867 57GLN HE22 865 3.333 3.733 2.760 1.2990 0.4185 -0.4333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
868 57GLN C 866 3.260 3.905 3.260 -0.0809 0.6418 -0.1152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
869 57GLN O 867 3.141 3.921 3.288 -0.2641 0.0952 -0.5763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
870 58ILE N 868 3.351 3.996 3.296 0.3981 0.0747 0.1268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
871 58ILE H 869 3.445 3.977 3.263 0.2341 0.2343 -0.4498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
872 58ILE CA 870 3.329 4.115 3.375 0.6167 0.0678 0.1982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
873 58ILE HA 871 3.253 4.095 3.450 0.6285 1.2185 0.5405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
874 58ILE CB 872 3.463 4.159 3.435 0.8036 0.1528 -0.2734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
875 58ILE HB 873 3.534 4.182 3.356 -0.5641 -0.9287 -1.8735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
876 58ILE CG1 874 3.523 4.045 3.517 0.0155 -0.2233 -0.2114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
877 58ILE HG11 875 3.448 4.027 3.594 -2.4010 2.3677 -1.7618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
878 58ILE HG12 876 3.534 3.946 3.474 -3.9137 -1.9079 2.0306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
879 58ILE CG2 877 3.448 4.279 3.530 -0.1401 0.1679 -0.4265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
880 58ILE HG21 878 3.546 4.314 3.563 -0.8811 1.5297 0.3744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
881 58ILE HG22 879 3.402 4.368 3.488 -1.6783 1.0855 2.8796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
882 58ILE HG23 880 3.391 4.258 3.621 1.1171 2.4749 0.9736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
883 58ILE CD 881 3.664 4.079 3.564 -0.0542 -0.0347 -0.1367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
884 58ILE HD1 882 3.718 4.113 3.475 0.3646 1.1247 0.5536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
885 58ILE HD2 883 3.679 4.155 3.640 -4.5855 0.8873 0.0853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
886 58ILE HD3 884 3.713 3.987 3.595 2.2019 0.6683 -1.3797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
887 58ILE C 885 3.280 4.233 3.292 0.3489 0.0517 0.3323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
888 58ILE O 886 3.331 4.263 3.184 0.1509 0.3197 0.3125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
889 59ASN N 887 3.174 4.297 3.340 -0.0975 -0.2912 -0.1830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
890 59ASN H 888 3.142 4.281 3.434 -1.1965 1.7126 -0.1503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
891 59ASN CA 889 3.085 4.378 3.259 -0.1115 0.0523 0.1735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
892 59ASN HA 890 3.086 4.336 3.158 -1.5505 0.2088 0.0771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
893 59ASN CB 891 2.943 4.352 3.310 -0.0042 -0.4223 0.2298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
894 59ASN HB1 892 2.911 4.248 3.298 -0.9202 0.0490 -1.7606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
895 59ASN HB2 893 2.932 4.373 3.416 -1.3382 1.2116 -0.2022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
896 59ASN CG 894 2.838 4.425 3.227 -0.0374 -0.2874 0.3916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
897 59ASN OD1 895 2.805 4.541 3.249 0.3878 -0.2518 0.8806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
898 59ASN ND2 896 2.786 4.361 3.122 0.1386 -0.1676 0.2312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
899 59ASN HD21 897 2.814 4.266 3.105 -1.4496 -0.5802 -0.2008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
900 59ASN HD22 898 2.720 4.412 3.066 0.7115 -0.6840 -0.9410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
901 59ASN C 899 3.129 4.524 3.251 -0.3706 0.1026 -0.4357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
902 59ASN O 900 3.168 4.584 3.351 0.6648 -0.5783 -0.4073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
903 60SER N 901 3.098 4.577 3.133 -0.3312 0.1698 -0.4160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
904 60SER H 902 3.046 4.527 3.061 -0.7421 -0.7690 0.5015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
905 60SER CA 903 3.141 4.711 3.103 0.0495 0.0758 -0.2902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
906 60SER HA 904 3.241 4.737 3.139 -0.4188 3.8166 -1.2147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
907 60SER CB 905 3.146 4.712 2.950 0.4115 -0.5277 -0.2840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
908 60SER HB1 906 3.189 4.805 2.914 -1.3822 0.2860 -0.4520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
909 60SER HB2 907 3.207 4.629 2.915 -1.8352 -2.2829 -0.2938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
910 60SER OG 908 3.021 4.698 2.886 0.1408 -0.0290 0.1316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
911 60SER HG 909 2.996 4.788 2.875 -0.5760 -0.2849 -0.4391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
912 60SER C 910 3.058 4.827 3.155 0.0127 -0.0390 -0.0943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
913 60SER O 911 3.097 4.943 3.145 -0.3139 -0.0083 -1.0682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
914 61ARG N 912 2.943 4.792 3.214 -0.0271 -0.2361 -0.2891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
915 61ARG H 913 2.915 4.695 3.218 0.7514 -0.4296 1.0199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
916 61ARG CA 914 2.849 4.894 3.258 -0.2581 -0.4902 -0.1956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
917 61ARG HA 915 2.851 4.987 3.203 1.0797 0.3606 1.2002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
918 61ARG CB 916 2.708 4.837 3.274 -0.2964 -0.2657 0.2804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
919 61ARG HB1 917 2.670 4.799 3.179 0.6894 -0.9533 0.1407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
920 61ARG HB2 918 2.719 4.751 3.339 -0.9321 0.9841 2.1317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
921 61ARG CG 919 2.602 4.930 3.333 -0.1636 0.3380 -0.4109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
922 61ARG HG1 920 2.613 4.950 3.439 0.5987 0.8814 -0.5915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
923 61ARG HG2 921 2.610 5.025 3.280 0.0176 0.2512 -0.5388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
924 61ARG CD 922 2.463 4.867 3.315 0.2669 -0.5364 -0.7344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
925 61ARG HD1 923 2.448 4.856 3.208 -0.2955 2.3288 -1.0412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
926 61ARG HD2 924 2.464 4.771 3.366 3.3072 -0.5526 -0.6546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
927 61ARG NE 925 2.359 4.957 3.364 0.3799 -0.5288 -0.5043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
928 61ARG HE 926 2.383 5.033 3.427 1.5678 -2.0437 0.9415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
929 61ARG CZ 927 2.229 4.947 3.331 0.2193 0.7124 -0.3173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
930 61ARG NH1 928 2.172 4.849 3.261 -0.3280 0.9399 -0.1952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
931 61ARG HH11 929 2.228 4.780 3.212 0.6680 1.4232 0.2548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
932 61ARG HH12 930 2.081 4.865 3.220 -0.3931 -1.1264 -0.9841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
933 61ARG NH2 931 2.145 5.045 3.368 -0.1361 0.0677 0.6358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
934 61ARG HH21 932 2.182 5.128 3.412 -0.6984 -0.6001 2.4832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
935 61ARG HH22 933 2.047 5.044 3.346 -0.1997 0.6145 0.8814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
936 61ARG C 934 2.893 4.938 3.397 -0.2638 -0.2750 -0.2617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
937 61ARG O 935 2.865 5.050 3.439 -0.5543 -0.3925 -0.1378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
938 62TRP N 936 2.958 4.851 3.475 0.2780 -0.1652 -0.5901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
939 62TRP H 937 2.972 4.760 3.433 0.8495 -1.2025 1.7159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
940 62TRP CA 938 3.006 4.870 3.610 -0.0322 -0.3775 -0.4475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
941 62TRP HA 939 2.983 4.971 3.644 1.7971 -0.1739 0.3029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
942 62TRP CB 940 2.945 4.764 3.702 0.1322 -0.2637 -0.2055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
943 62TRP HB1 941 3.004 4.674 3.687 -1.1970 -1.4062 1.1082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
944 62TRP HB2 942 2.960 4.809 3.800 2.1571 2.5646 -1.6408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
945 62TRP CG 943 2.799 4.736 3.688 0.1408 -0.1240 -0.5945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
946 62TRP CD1 944 2.744 4.624 3.637 0.2219 -0.2300 -0.4501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
947 62TRP HD1 945 2.803 4.545 3.593 -0.5703 0.2217 -2.4577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
948 62TRP CD2 946 2.687 4.816 3.736 0.2184 0.1046 -0.7931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
949 62TRP NE1 947 2.606 4.636 3.643 0.2582 -0.2545 0.5252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
950 62TRP HE1 948 2.544 4.566 3.604 0.0496 -0.4988 1.2749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
951 62TRP CE2 949 2.564 4.754 3.700 0.0769 0.0317 -0.1961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
952 62TRP CE3 950 2.677 4.942 3.798 0.4946 -0.1971 -0.1291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
953 62TRP HE3 951 2.770 4.990 3.825 0.5071 1.5363 -2.8352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
954 62TRP CZ2 952 2.437 4.808 3.725 -0.1122 -0.6009 0.2155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
955 62TRP HZ2 953 2.344 4.758 3.702 -0.7801 1.3503 -1.6209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
956 62TRP CZ3 954 2.552 4.990 3.838 0.4084 -0.2020 -0.3868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
957 62TRP HZ3 955 2.536 5.085 3.887 0.6518 -0.4291 0.1420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
958 62TRP CH2 956 2.434 4.929 3.796 0.4042 -0.4349 -0.0373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
959 62TRP HH2 957 2.340 4.967 3.832 0.6623 -0.8226 1.0993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
960 62TRP C 958 3.157 4.870 3.628 -0.0533 0.0176 -0.2659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
961 62TRP O 959 3.212 4.955 3.698 -0.0889 -0.1168 -0.0759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
962 63TRP N 960 3.226 4.777 3.560 -0.1028 -0.2793 0.0909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
963 63TRP H 961 3.177 4.700 3.517 0.6033 -0.4449 -0.4196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
964 63TRP CA 962 3.358 4.750 3.612 0.0685 -0.0428 -0.2206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
965 63TRP HA 963 3.375 4.785 3.714 0.9914 0.9845 -0.7089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
966 63TRP CB 964 3.374 4.598 3.614 -0.2387 -0.0757 -0.3204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
967 63TRP HB1 965 3.365 4.555 3.515 0.2243 -1.1578 0.0977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
968 63TRP HB2 966 3.476 4.583 3.648 0.0123 1.2558 -0.4390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
969 63TRP CG 967 3.283 4.540 3.718 -0.0212 -0.2189 -0.2099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
970 63TRP CD1 968 3.196 4.439 3.690 -0.2774 0.0748 -0.4846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
971 63TRP HD1 969 3.182 4.405 3.588 -0.4939 -0.0347 -0.4186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
972 63TRP CD2 970 3.270 4.570 3.860 -0.0444 0.4001 -0.3411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
973 63TRP NE1 971 3.115 4.424 3.800 0.1412 -0.0055 -0.1836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
974 63TRP HE1 972 3.046 4.350 3.803 1.5737 -1.3785 1.8168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
975 63TRP CE2 973 3.154 4.503 3.907 0.1688 0.0838 -0.2602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
976 63TRP CE3 974 3.337 4.652 3.952 -0.2228 0.3228 -0.1426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
977 63TRP HE3 975 3.435 4.689 3.924 -0.4408 -0.0015 -1.3850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
978 63TRP CZ2 976 3.094 4.530 4.030 0.3395 -0.3748 -0.0750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
979 63TRP HZ2 977 3.006 4.481 4.069 -0.6737 1.9854 0.7916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
980 63TRP CZ3 978 3.283 4.674 4.079 0.2213 -0.0070 0.1109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
981 63TRP HZ3 979 3.335 4.739 4.147 0.4574 -0.0086 -0.0670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
982 63TRP CH2 980 3.161 4.617 4.118 0.1178 -0.0302 -0.2441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
983 63TRP HH2 981 3.121 4.632 4.217 -0.0056 0.9156 -0.4221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
984 63TRP C 982 3.469 4.804 3.524 -0.1023 -0.2424 -0.5568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
985 63TRP O 983 3.569 4.849 3.579 -0.1937 -0.3759 -0.2832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
986 64CYS N 984 3.453 4.811 3.391 0.1505 -0.3628 -0.5957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
987 64CYS H 985 3.365 4.781 3.351 -0.2479 -0.0266 -0.0006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
988 64CYS CA 986 3.559 4.856 3.304 0.4963 0.1463 0.0789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
989 64CYS HA 987 3.633 4.916 3.357 1.4618 0.2492 -1.3330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
990 64CYS CB 988 3.626 4.734 3.240 0.0501 -0.1715 0.2126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
991 64CYS HB1 989 3.706 4.764 3.172 -0.4373 0.9993 0.1184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
992 64CYS HB2 990 3.676 4.675 3.316 0.9573 -0.6516 -0.7351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
993 64CYS SG 991 3.518 4.629 3.139 0.1008 0.0560 -0.0826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
994 64CYS C 992 3.499 4.957 3.207 -0.4023 -0.3635 0.0910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
995 64CYS O 993 3.377 4.954 3.197 -0.4718 -0.1855 0.8111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
996 65ASN N 994 3.576 5.048 3.146 -0.9272 0.1368 0.1636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
997 65ASN H 995 3.676 5.043 3.157 -0.3145 1.3145 -3.5079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
998 65ASN CA 996 3.522 5.129 3.039 -0.1735 -0.0073 -0.3354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
999 65ASN HA 997 3.415 5.150 3.049 -0.1532 -0.1433 0.1815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1000 65ASN CB 998 3.605 5.258 3.039 -0.2477 0.0416 -0.1434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1001 65ASN HB1 999 3.612 5.310 3.134 3.4145 0.4119 -0.4527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1002 65ASN HB2 1000 3.707 5.230 3.010 -0.8406 -1.5910 -0.8148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1003 65ASN CG 1001 3.554 5.365 2.944 0.0420 0.2810 -0.0330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1004 65ASN OD1 1002 3.444 5.417 2.960 0.1761 0.8653 -0.9682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1005 65ASN ND2 1003 3.636 5.407 2.848 -0.1280 -0.2138 -0.3998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1006 65ASN HD21 1004 3.730 5.371 2.856 -0.7981 -2.2586 -0.9449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1007 65ASN HD22 1005 3.623 5.478 2.778 1.5340 0.3769 -0.1563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1008 65ASN C 1006 3.564 5.054 2.914 0.1827 0.2238 -0.3562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1009 65ASN O 1007 3.682 5.021 2.902 0.0554 -0.1932 -0.4869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1010 66ASP N 1008 3.468 5.032 2.824 -0.1687 -0.2394 0.1320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1011 66ASP H 1009 3.373 5.042 2.858 -0.1179 2.0039 -0.2846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1012 66ASP CA 1010 3.485 5.005 2.683 -0.0454 -0.2997 0.1576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1013 66ASP HA 1011 3.588 4.973 2.672 0.1192 0.4289 -0.5572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1014 66ASP CB 1012 3.395 4.891 2.635 0.0280 -0.3884 0.2337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1015 66ASP HB1 1013 3.448 4.843 2.553 -0.2643 0.8940 -0.7235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1016 66ASP HB2 1014 3.395 4.818 2.717 3.6602 -0.1327 0.6429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1017 66ASP CG 1015 3.251 4.916 2.594 0.2882 0.4360 -0.1937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1018 66ASP OD1 1016 3.171 4.997 2.645 -0.1154 -0.3122 0.3815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1019 66ASP OD2 1017 3.216 4.829 2.511 0.0747 -0.4924 0.8392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1020 66ASP C 1018 3.469 5.127 2.593 0.1872 -0.1055 0.3787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1021 66ASP O 1019 3.533 5.135 2.488 -0.6071 -0.8113 -0.1729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1022 67GLY N 1020 3.397 5.227 2.643 -0.0015 -0.0774 0.0571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1023 67GLY H 1021 3.351 5.217 2.733 0.3097 1.5294 0.4378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1024 67GLY CA 1022 3.374 5.360 2.589 -0.3725 -0.2277 -0.1540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1025 67GLY HA1 1023 3.383 5.430 2.672 -0.3468 -1.1672 0.6608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1026 67GLY HA2 1024 3.451 5.384 2.516 0.1614 -0.2548 0.3916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1027 67GLY C 1025 3.246 5.388 2.512 -0.2007 -0.0567 -0.3783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1028 67GLY O 1026 3.215 5.504 2.486 -0.1062 0.0308 -0.1006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1029 68ARG N 1027 3.161 5.286 2.495 0.1855 -0.5052 0.3375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1030 68ARG H 1028 3.196 5.196 2.524 0.8233 -0.5479 -0.5491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1031 68ARG CA 1029 3.035 5.284 2.424 0.4280 0.2547 -0.1249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1032 68ARG HA 1030 2.996 5.385 2.411 1.5459 0.8806 1.2311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1033 68ARG CB 1031 3.051 5.224 2.284 0.0219 0.0529 -0.0879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1034 68ARG HB1 1032 2.958 5.226 2.228 -0.6283 0.3407 0.9858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1035 68ARG HB2 1033 3.127 5.292 2.244 0.7099 0.7546 2.2193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1036 68ARG CG 1034 3.122 5.089 2.282 0.0160 0.0447 0.2205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1037 68ARG HG1 1035 3.228 5.107 2.266 -0.4352 2.1276 -0.6679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1038 68ARG HG2 1036 3.117 5.044 2.381 -2.4132 -0.5688 -0.1251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1039 68ARG CD 1037 3.074 4.987 2.177 0.2007 0.2530 -0.0674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1040 68ARG HD1 1038 3.075 5.021 2.074 1.3291 1.2017 0.2272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1041 68ARG HD2 1039 3.161 4.921 2.178 0.2289 0.2091 2.5126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1042 68ARG NE 1040 2.962 4.908 2.227 0.2401 0.3061 0.1084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1043 68ARG HE 1041 2.986 4.831 2.288 0.6585 0.2044 -0.1791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1044 68ARG CZ 1042 2.834 4.901 2.188 0.3874 -0.0232 -0.3261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1045 68ARG NH1 1043 2.787 4.988 2.098 -0.3918 -0.5744 -0.4686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1046 68ARG HH11 1044 2.852 5.051 2.053 0.5777 -1.4378 -0.3065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1047 68ARG HH12 1045 2.690 5.002 2.078 -0.7673 -0.1891 1.3731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1048 68ARG NH2 1046 2.749 4.815 2.246 0.3150 -0.1527 -0.6244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1049 68ARG HH21 1047 2.771 4.775 2.336 1.8897 0.5574 -0.6558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1050 68ARG HH22 1048 2.649 4.816 2.231 -1.2322 -0.3324 6.3608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1051 68ARG C 1049 2.915 5.227 2.499 0.4424 0.1664 -0.1692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1052 68ARG O 1050 2.807 5.254 2.447 0.0770 0.1054 0.5547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1053 69THR N 1051 2.931 5.161 2.613 -0.6184 -0.2825 -0.2678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1054 69THR H 1052 3.026 5.145 2.643 -0.3930 0.3334 -0.6455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1055 69THR CA 1053 2.831 5.126 2.712 -0.2327 -0.1957 0.1564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1056 69THR HA 1054 2.757 5.065 2.661 0.1145 -1.4307 1.0833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1057 69THR CB 1055 2.887 5.037 2.823 0.5195 -0.1631 -0.1893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1058 69THR HB 1056 2.969 5.087 2.873 0.2910 -0.0606 0.0858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1059 69THR OG1 1057 2.952 4.924 2.769 0.2588 -0.4323 0.0536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1060 69THR HG1 1058 3.025 4.948 2.714 1.7903 -0.5675 1.9180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1061 69THR CG2 1059 2.783 4.980 2.921 0.4989 -0.1705 -0.2156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1062 69THR HG21 1060 2.823 4.906 2.990 -0.5660 -2.0804 -1.5541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1063 69THR HG22 1061 2.740 5.060 2.980 1.9630 -0.0299 0.7032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1064 69THR HG23 1062 2.700 4.931 2.871 -0.0051 -0.3919 0.8239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1065 69THR C 1063 2.775 5.252 2.777 0.1989 -0.0820 0.3075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1066 69THR O 1064 2.849 5.305 2.861 -0.2073 0.4109 0.3586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1067 70PRO N 1065 2.650 5.295 2.760 0.1307 -0.2388 0.4077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1068 70PRO CA 1066 2.587 5.402 2.835 -0.0809 -0.0467 -0.0401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1069 70PRO HA 1067 2.652 5.490 2.833 1.1718 -0.8167 2.4654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1070 70PRO CB 1068 2.457 5.428 2.759 -0.1283 -0.1912 -0.0083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1071 70PRO HB1 1069 2.388 5.470 2.832 -0.5717 -0.3135 -0.3530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1072 70PRO HB2 1070 2.478 5.510 2.690 0.1243 -1.5176 -1.5987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1073 70PRO CG 1071 2.421 5.297 2.688 -0.0280 -0.3344 0.2063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1074 70PRO HG1 1072 2.371 5.226 2.755 -0.0852 -1.3712 -0.8939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1075 70PRO HG2 1073 2.357 5.293 2.600 0.8682 -2.8903 -0.4198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1076 70PRO CD 1074 2.559 5.235 2.664 0.2178 0.2936 -0.0147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1077 70PRO HD1 1075 2.547 5.127 2.673 -0.5988 0.4100 0.3847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1078 70PRO HD2 1076 2.596 5.266 2.566 0.3013 1.5755 0.4013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1079 70PRO C 1077 2.553 5.363 2.978 0.3550 -0.3691 -0.0237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1080 70PRO O 1078 2.490 5.258 2.992 0.1130 -0.1851 0.2821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1081 71GLY N 1079 2.600 5.442 3.074 0.3674 0.0489 -0.3716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1082 71GLY H 1080 2.653 5.525 3.052 -1.4483 1.9819 1.9620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1083 71GLY CA 1081 2.582 5.424 3.217 -0.2528 0.2248 -0.4241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1084 71GLY HA1 1082 2.543 5.516 3.260 -0.3500 0.2320 -0.5256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1085 71GLY HA2 1083 2.509 5.344 3.227 1.4686 -1.4185 -0.5328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1086 71GLY C 1084 2.708 5.399 3.298 -0.6955 -0.2283 0.1317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1087 71GLY O 1085 2.699 5.369 3.417 -0.1708 -0.3762 0.1378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1088 72SER N 1086 2.821 5.405 3.226 -0.3669 -0.0683 0.6536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1089 72SER H 1087 2.809 5.447 3.135 -0.7816 -1.1068 0.2168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1090 72SER CA 1088 2.948 5.357 3.277 0.0443 -0.4014 -0.6546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1091 72SER HA 1089 2.937 5.252 3.305 0.9537 0.0431 1.6148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1092 72SER CB 1090 3.047 5.374 3.163 0.2789 0.3900 -0.3399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1093 72SER HB1 1091 2.995 5.349 3.070 -0.6534 -1.1366 0.5572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1094 72SER HB2 1092 3.059 5.482 3.167 -2.8170 0.8157 -0.5270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1095 72SER OG 1093 3.170 5.307 3.180 0.1754 0.1889 -0.3795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1096 72SER HG 1094 3.153 5.214 3.172 -2.4389 0.5074 0.5449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1097 72SER C 1095 3.006 5.420 3.403 -0.4136 -0.2125 -0.5351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1098 72SER O 1096 2.986 5.537 3.435 -0.1712 -0.2240 -0.3447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1099 73ARG N 1097 3.078 5.340 3.481 0.2736 0.5073 -0.4206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1100 73ARG H 1098 3.102 5.249 3.443 2.4667 0.5453 0.7299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1101 73ARG CA 1099 3.117 5.371 3.617 0.0634 -0.7351 -0.0601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1102 73ARG HA 1100 3.106 5.479 3.624 -1.3011 -0.7746 -1.1760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1103 73ARG CB 1101 3.032 5.298 3.721 -0.2092 -0.5255 -0.1327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1104 73ARG HB1 1102 3.056 5.192 3.710 3.4106 -0.2961 3.2146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1105 73ARG HB2 1103 3.072 5.321 3.820 -2.2102 -1.7570 1.0307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1106 73ARG CG 1104 2.880 5.315 3.713 -0.2007 -0.3163 0.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1107 73ARG HG1 1105 2.838 5.281 3.619 1.2083 -0.3245 -0.5245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1108 73ARG HG2 1106 2.833 5.258 3.793 0.7254 0.1945 1.0835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1109 73ARG CD 1107 2.843 5.463 3.720 0.0293 -0.2571 0.1185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1110 73ARG HD1 1108 2.922 5.529 3.758 -0.8212 0.5271 0.5915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1111 73ARG HD2 1109 2.832 5.497 3.617 1.4060 2.5202 0.7673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1112 73ARG NE 1110 2.731 5.492 3.810 -0.1146 -0.1894 -0.0821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1113 73ARG HE 1111 2.755 5.510 3.906 -1.6212 1.7571 -0.0043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1114 73ARG CZ 1112 2.606 5.514 3.767 -0.1694 -0.4990 -0.0890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1115 73ARG NH1 1113 2.570 5.491 3.640 -0.6108 -0.0237 -0.0580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1116 73ARG HH11 1114 2.625 5.447 3.567 -0.7207 1.9730 -1.4230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1117 73ARG HH12 1115 2.478 5.511 3.604 -0.5013 1.6063 0.5081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1118 73ARG NH2 1116 2.523 5.583 3.847 0.2259 0.2314 -0.2967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1119 73ARG HH21 1117 2.553 5.614 3.938 0.2004 0.2044 -0.2790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1120 73ARG HH22 1118 2.427 5.599 3.818 -1.5302 -3.7262 2.4458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1121 73ARG C 1119 3.267 5.354 3.636 0.1569 0.5310 0.4944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1122 73ARG O 1120 3.339 5.438 3.689 0.3554 0.5613 0.1829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1123 74ASN N 1121 3.322 5.246 3.579 0.0579 0.4686 0.5165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1124 74ASN H 1122 3.261 5.189 3.523 0.4205 0.9522 -0.4017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1125 74ASN CA 1123 3.461 5.205 3.579 -0.1511 -0.2483 0.2920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1126 74ASN HA 1124 3.471 5.103 3.540 0.0705 -0.9556 2.1022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1127 74ASN CB 1125 3.538 5.300 3.488 -0.0211 -0.1102 0.5485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1128 74ASN HB1 1126 3.481 5.305 3.395 -0.3181 -3.6127 0.4289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1129 74ASN HB2 1127 3.550 5.401 3.529 0.0271 -0.1331 0.5908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1130 74ASN CG 1128 3.674 5.247 3.444 -0.2390 -0.1838 -0.0450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1131 74ASN OD1 1129 3.711 5.134 3.477 0.3242 -0.2175 -0.7778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1132 74ASN ND2 1130 3.745 5.313 3.352 0.4014 -0.7108 0.0668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1133 74ASN HD21 1131 3.719 5.408 3.331 0.2984 -0.4982 1.1012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1134 74ASN HD22 1132 3.816 5.270 3.294 -0.0282 0.2792 -1.2261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1135 74ASN C 1133 3.513 5.197 3.721 0.2652 -0.2468 0.1412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1136 74ASN O 1134 3.603 5.272 3.757 -0.2743 0.3253 0.3109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1137 75LEU N 1135 3.444 5.114 3.800 -0.1795 0.1242 0.1407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1138 75LEU H 1136 3.356 5.072 3.772 -2.5740 2.5055 3.2359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1139 75LEU CA 1137 3.481 5.090 3.938 0.4774 0.0201 -0.0541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1140 75LEU HA 1138 3.495 5.187 3.985 0.1082 1.2064 -2.2390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1141 75LEU CB 1139 3.363 5.017 4.001 0.1341 0.3754 -0.2851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1142 75LEU HB1 1140 3.345 4.928 3.942 -0.7905 0.6460 -0.4242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1143 75LEU HB2 1141 3.382 4.994 4.106 0.4283 1.3390 -0.1174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1144 75LEU CG 1142 3.227 5.088 4.001 -0.0707 -0.0137 -0.2946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1145 75LEU HG 1143 3.208 5.122 3.899 1.3480 0.9761 -0.2637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1146 75LEU CD1 1144 3.105 5.000 4.025 0.5597 -0.6734 0.5481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1147 75LEU HD11 1145 3.016 5.061 4.007 0.9036 -0.1740 0.5287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1148 75LEU HD12 1146 3.094 4.911 3.964 -3.0242 0.9103 -1.4342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1149 75LEU HD13 1147 3.101 4.968 4.129 0.6884 -1.1831 0.3998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1150 75LEU CD2 1148 3.230 5.212 4.090 -0.1948 -0.0610 -0.2252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1151 75LEU HD21 1149 3.127 5.246 4.102 -1.0701 -2.7992 0.6302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1152 75LEU HD22 1150 3.276 5.184 4.185 2.3283 2.4281 -0.5557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1153 75LEU HD23 1151 3.300 5.286 4.051 1.8112 -1.3055 0.8577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1154 75LEU C 1152 3.610 5.012 3.959 0.4295 -0.1751 -0.4849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1155 75LEU O 1153 3.668 5.033 4.065 -0.8554 0.8051 0.0485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1156 76CYS N 1154 3.667 4.945 3.859 0.3123 0.1198 -0.7502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1157 76CYS H 1155 3.621 4.969 3.772 -1.5395 -2.6503 -0.6878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1158 76CYS CA 1156 3.799 4.885 3.872 0.2549 0.1703 0.0639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1159 76CYS HA 1157 3.822 4.861 3.976 0.3704 0.3652 0.0834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1160 76CYS CB 1158 3.802 4.754 3.793 -0.1536 -0.1660 0.5975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1161 76CYS HB1 1159 3.778 4.763 3.687 -0.1529 1.1160 0.6924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1162 76CYS HB2 1160 3.903 4.714 3.783 -0.8044 -1.3641 -1.7787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1163 76CYS SG 1161 3.707 4.614 3.858 -0.3941 -0.2338 0.0979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1164 76CYS C 1162 3.904 4.981 3.819 -0.0326 0.4654 0.0273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1165 76CYS O 1163 4.021 4.961 3.851 0.0894 0.3120 -0.5026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1166 77ASN N 1164 3.874 5.077 3.731 0.0935 0.1671 -0.3443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1167 77ASN H 1165 3.778 5.065 3.701 0.5391 -2.6347 -0.8818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1168 77ASN CA 1166 3.948 5.187 3.672 0.4709 0.1609 0.1143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1169 77ASN HA 1167 3.863 5.252 3.651 0.1321 0.0258 1.0261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1170 77ASN CB 1168 4.030 5.262 3.778 0.4526 -0.0443 0.2732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1171 77ASN HB1 1169 3.972 5.261 3.870 -0.1797 1.1108 -0.1058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1172 77ASN HB2 1170 4.119 5.201 3.795 -0.3569 -1.2644 0.2650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1173 77ASN CG 1171 4.054 5.408 3.743 -0.0693 -0.1080 -0.3794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1174 77ASN OD1 1172 3.959 5.479 3.711 -0.2732 -0.2347 -0.0626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1175 77ASN ND2 1173 4.180 5.453 3.743 -0.0943 -0.0274 0.2319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1176 77ASN HD21 1174 4.259 5.399 3.776 -0.0291 -0.3886 -0.4840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1177 77ASN HD22 1175 4.202 5.548 3.717 -0.3089 -0.8360 -3.4113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1178 77ASN C 1176 4.028 5.154 3.547 -0.1176 0.0763 -0.2395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1179 77ASN O 1177 4.134 5.207 3.518 -0.0614 0.0758 -0.0337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1180 78ILE N 1178 3.979 5.056 3.469 -0.0699 -0.4385 0.3719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1181 78ILE H 1179 3.885 5.023 3.486 0.0737 -0.7734 0.5414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1182 78ILE CA 1180 4.053 4.993 3.362 -0.3051 -0.1567 0.0414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1183 78ILE HA 1181 4.149 5.040 3.339 -1.2648 2.1504 0.5359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1184 78ILE CB 1182 4.089 4.852 3.411 0.3053 0.1168 0.3844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1185 78ILE HB 1183 4.124 4.798 3.324 0.8734 0.2269 0.5400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1186 78ILE CG1 1184 3.975 4.761 3.456 0.0265 0.1241 -0.3001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1187 78ILE HG11 1185 3.937 4.801 3.550 -1.0921 0.8536 -1.0376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1188 78ILE HG12 1186 3.887 4.770 3.392 0.4669 0.2608 -0.8961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1189 78ILE CG2 1187 4.207 4.855 3.508 0.0477 -0.0261 0.7051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1190 78ILE HG21 1188 4.256 4.764 3.543 -1.6636 0.2779 4.3647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1191 78ILE HG22 1189 4.276 4.927 3.464 -1.8194 1.1495 -0.4087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1192 78ILE HG23 1190 4.174 4.899 3.603 -1.5790 0.0594 0.1249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1193 78ILE CD 1191 4.021 4.617 3.480 0.5615 0.2683 -0.4528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1194 78ILE HD1 1192 3.933 4.555 3.493 0.5372 0.6021 1.1189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1195 78ILE HD2 1193 4.075 4.579 3.393 1.7460 -1.7989 1.1023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1196 78ILE HD3 1194 4.087 4.616 3.567 0.4216 1.3068 -0.3223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1197 78ILE C 1195 3.977 5.009 3.231 0.2166 -0.0662 -0.2530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1198 78ILE O 1196 3.855 5.021 3.227 0.1463 -0.7979 -0.3251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1199 79PRO N 1197 4.051 4.989 3.122 0.1805 0.2289 -0.3337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1200 79PRO CA 1198 3.991 4.966 2.992 0.3523 -0.0609 -0.3640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1201 79PRO HA 1199 3.907 5.033 2.971 -0.2847 -0.7350 -0.0079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1202 79PRO CB 1200 4.100 5.010 2.894 0.3764 -0.4711 -0.5219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1203 79PRO HB1 1201 4.103 4.964 2.796 0.3825 -1.5704 -0.0250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1204 79PRO HB2 1202 4.087 5.114 2.864 1.4276 0.0688 0.7583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1205 79PRO CG 1203 4.237 5.004 2.963 0.2610 -0.4249 -0.2868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1206 79PRO HG1 1204 4.294 4.913 2.946 0.6912 -0.1226 -0.4944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1207 79PRO HG2 1205 4.300 5.090 2.944 -0.0261 -0.1590 -0.0557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1208 79PRO CD 1206 4.194 5.011 3.109 0.2144 0.0244 -0.3214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1209 79PRO HD1 1207 4.249 4.937 3.167 1.2189 1.1537 0.2206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1210 79PRO HD2 1208 4.225 5.109 3.146 0.1206 0.3017 -0.9709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1211 79PRO C 1209 3.959 4.819 2.974 -0.0200 -0.0564 0.2164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1212 79PRO O 1210 4.035 4.727 3.003 0.1216 -0.0818 -0.2174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1213 80CYS N 1211 3.839 4.789 2.925 -0.0508 0.2711 0.0887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1214 80CYS H 1212 3.787 4.872 2.901 1.3454 0.7515 -1.3972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1215 80CYS CA 1213 3.784 4.656 2.908 -0.0105 0.2461 0.1537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1216 80CYS HA 1214 3.794 4.613 3.008 1.4400 0.2166 0.0130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1217 80CYS CB 1215 3.642 4.654 2.851 -0.0716 -0.3158 0.3144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1218 80CYS HB1 1216 3.639 4.718 2.763 1.8607 -0.9209 -0.2349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1219 80CYS HB2 1217 3.616 4.554 2.817 0.9739 -0.5896 0.3067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1220 80CYS SG 1218 3.505 4.713 2.954 -0.1796 0.0796 -0.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1221 80CYS C 1219 3.867 4.565 2.820 0.3731 0.1835 0.5778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1222 80CYS O 1220 3.871 4.444 2.843 0.3126 0.0934 0.1276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1223 81SER N 1221 3.945 4.616 2.723 -0.6201 0.0196 -0.3232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1224 81SER H 1222 3.935 4.716 2.726 0.1909 0.0801 1.2398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1225 81SER CA 1223 4.045 4.555 2.639 -0.1965 -0.5514 0.5741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1226 81SER HA 1224 4.000 4.486 2.568 0.7135 -1.4019 0.8044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1227 81SER CB 1225 4.106 4.662 2.548 -0.0598 -0.5325 0.6870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1228 81SER HB1 1226 4.191 4.625 2.490 -0.6234 -0.6323 -0.0825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1229 81SER HB2 1227 4.049 4.705 2.466 2.2734 -1.5265 -1.5945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1230 81SER OG 1228 4.154 4.775 2.617 0.8493 -0.6546 0.2742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1231 81SER HG 1229 4.076 4.829 2.627 -0.7956 -2.4738 -1.7095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1232 81SER C 1230 4.162 4.492 2.713 0.1974 -0.2551 0.2139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1233 81SER O 1231 4.223 4.396 2.667 0.4321 -0.1100 0.2187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1234 82ALA N 1232 4.187 4.535 2.838 -0.3985 -0.0701 0.2722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1235 82ALA H 1233 4.130 4.615 2.862 0.0430 0.3121 0.0467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1236 82ALA CA 1234 4.278 4.473 2.932 -0.2858 -0.5081 -0.1201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1237 82ALA HA 1235 4.377 4.459 2.890 0.1170 -0.2510 0.7323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1238 82ALA CB 1236 4.297 4.571 3.047 -0.5765 0.2848 -0.7403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1239 82ALA HB1 1237 4.379 4.540 3.112 0.3611 1.2633 -1.4128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1240 82ALA HB2 1238 4.315 4.673 3.012 -1.4027 0.5150 -0.5250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1241 82ALA HB3 1239 4.211 4.567 3.114 -0.2603 -0.0748 -0.3510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1242 82ALA C 1240 4.231 4.335 2.979 -0.2537 -0.3164 0.4735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1243 82ALA O 1241 4.306 4.239 2.992 -0.2357 -0.2884 0.5755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1244 83LEU N 1242 4.100 4.309 2.976 -0.2396 -0.3064 -0.6792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1245 83LEU H 1243 4.042 4.388 2.951 1.0232 1.9944 2.7903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1246 83LEU CA 1244 4.031 4.189 3.016 -0.0850 -0.1408 0.1020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1247 83LEU HA 1245 4.083 4.155 3.106 1.1318 -0.1834 -0.5931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1248 83LEU CB 1246 3.883 4.215 3.043 -0.0898 0.1222 -0.1831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1249 83LEU HB1 1247 3.824 4.234 2.953 -0.9785 -0.3954 0.2781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1250 83LEU HB2 1248 3.829 4.127 3.079 1.0216 -1.1580 -1.5079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1251 83LEU CG 1249 3.851 4.322 3.147 0.2692 -0.1927 0.2537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1252 83LEU HG 1250 3.906 4.410 3.113 1.7641 -1.4133 -0.5763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1253 83LEU CD1 1251 3.700 4.347 3.145 0.3823 0.4904 -0.2789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1254 83LEU HD11 1252 3.677 4.422 3.220 -0.5460 0.6748 -0.7450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1255 83LEU HD12 1253 3.669 4.385 3.048 -0.8058 0.1140 -0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1256 83LEU HD13 1254 3.647 4.256 3.175 1.2780 0.0204 -0.0611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1257 83LEU CD2 1255 3.906 4.291 3.286 0.1299 0.4958 0.4676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1258 83LEU HD21 1256 3.874 4.354 3.369 -0.0512 -0.6339 1.2851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1259 83LEU HD22 1257 3.860 4.198 3.321 2.9612 -0.6892 1.3416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1260 83LEU HD23 1258 4.014 4.299 3.291 0.3259 -0.8023 -1.0043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1261 83LEU C 1259 4.046 4.083 2.907 0.1656 -0.0646 0.0620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1262 83LEU O 1260 3.990 3.976 2.929 0.1762 -0.1417 -0.2901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1263 84LEU N 1261 4.114 4.099 2.794 0.0680 -0.2346 -0.0207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1264 84LEU H 1262 4.158 4.189 2.777 0.8746 -0.7675 -0.8637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1265 84LEU CA 1263 4.135 4.011 2.681 -0.1671 -0.1415 -0.1370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1266 84LEU HA 1264 4.076 3.921 2.697 0.7849 -0.5134 1.4965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1267 84LEU CB 1265 4.076 4.078 2.556 -0.1909 -0.1162 -0.1120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1268 84LEU HB1 1266 4.126 4.173 2.542 0.5765 -0.6880 -1.4246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1269 84LEU HB2 1267 4.103 4.020 2.468 0.5399 0.9120 -0.5788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1270 84LEU CG 1268 3.929 4.120 2.566 -0.0509 0.3895 -0.1844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1271 84LEU HG 1269 3.919 4.202 2.638 -0.0309 -0.1371 0.4206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1272 84LEU CD1 1270 3.882 4.171 2.430 -0.2737 0.1485 -0.1959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1273 84LEU HD11 1271 3.773 4.164 2.431 -0.1867 -1.7103 -0.2117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1274 84LEU HD12 1272 3.911 4.274 2.414 -2.5607 1.0794 1.2227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1275 84LEU HD13 1273 3.911 4.109 2.344 -1.9653 1.0314 -1.4689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1276 84LEU CD2 1274 3.840 4.010 2.622 0.8263 0.0839 0.6477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1277 84LEU HD21 1275 3.736 4.042 2.635 1.5394 2.2611 1.3434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1278 84LEU HD22 1276 3.843 3.929 2.548 -0.6611 -0.0401 0.6879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1279 84LEU HD23 1277 3.869 3.964 2.716 -0.9214 -1.9749 0.2853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1280 84LEU C 1278 4.279 3.964 2.662 -0.0191 0.1829 0.1603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1281 84LEU O 1279 4.311 3.878 2.581 -0.1806 0.2759 -0.0030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1282 85SER N 1280 4.369 4.016 2.746 0.7314 -0.4419 -0.2444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1283 85SER H 1281 4.328 4.067 2.823 -0.7581 0.4475 -1.5813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1284 85SER CA 1282 4.510 3.986 2.759 0.8115 0.0299 0.0080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1285 85SER HA 1283 4.562 3.992 2.664 -0.9922 2.5230 -0.9268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1286 85SER CB 1284 4.566 4.083 2.862 -0.3298 0.3753 0.3220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1287 85SER HB1 1285 4.534 4.186 2.844 0.9713 0.7350 -0.0741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1288 85SER HB2 1286 4.517 4.053 2.954 -3.4487 0.3882 -1.2159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1289 85SER OG 1287 4.705 4.084 2.885 -0.2227 0.4403 -0.3265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1290 85SER HG 1288 4.754 4.105 2.806 1.3767 -1.1008 0.1957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1291 85SER C 1289 4.540 3.839 2.789 0.2158 -0.1173 -0.1018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1292 85SER O 1290 4.468 3.775 2.865 -0.5431 0.2008 -0.5379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1293 86SER N 1291 4.651 3.787 2.736 0.1013 -0.4696 0.0009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1294 86SER H 1292 4.707 3.843 2.674 -1.1994 -0.4782 -1.2366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1295 86SER CA 1293 4.680 3.648 2.761 -0.0407 -0.4757 0.1357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1296 86SER HA 1294 4.599 3.576 2.754 1.0953 -1.7430 -0.5058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1297 86SER CB 1295 4.784 3.604 2.657 -0.0802 0.0267 -0.1157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1298 86SER HB1 1296 4.879 3.658 2.652 1.3736 -2.4608 -0.8105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1299 86SER HB2 1297 4.804 3.499 2.674 0.1437 0.1872 0.6624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1300 86SER OG 1298 4.736 3.603 2.524 0.1098 -0.0765 -0.1832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1301 86SER HG 1299 4.784 3.671 2.479 -0.0425 -0.4752 -0.9597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1302 86SER C 1300 4.737 3.626 2.901 -0.2362 -0.0639 0.2802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1303 86SER O 1301 4.752 3.516 2.954 0.5664 0.1002 0.3987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1304 87ASP N 1302 4.770 3.737 2.966 0.3004 -0.0386 -0.0316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1305 87ASP H 1303 4.737 3.817 2.914 -1.2032 0.2600 1.2930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1306 87ASP CA 1304 4.810 3.761 3.104 -0.0777 0.0582 0.0632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1307 87ASP HA 1305 4.858 3.673 3.148 -0.8890 -0.5409 -0.2340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1308 87ASP CB 1306 4.909 3.877 3.114 -0.1071 0.0580 0.3508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1309 87ASP HB1 1307 4.973 3.864 3.027 -0.1285 1.0600 0.1716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1310 87ASP HB2 1308 4.857 3.972 3.109 1.9985 1.3359 1.2415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1311 87ASP CG 1309 4.987 3.866 3.245 -0.1458 0.3305 0.3970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1312 87ASP OD1 1310 4.929 3.850 3.355 -0.2953 -0.6124 0.1943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1313 87ASP OD2 1311 5.110 3.877 3.232 -0.1693 0.7685 0.5119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1314 87ASP C 1312 4.684 3.784 3.186 -0.0970 0.2435 -0.0174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1315 87ASP O 1313 4.620 3.887 3.166 -0.4949 -0.2224 -1.3090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1316 88ILE N 1314 4.648 3.705 3.287 0.0310 -0.0693 -0.2157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1317 88ILE H 1315 4.725 3.649 3.322 0.4968 -0.4905 -1.8094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1318 88ILE CA 1316 4.532 3.730 3.369 0.0791 0.4951 -0.3187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1319 88ILE HA 1317 4.449 3.753 3.302 1.8806 -0.1869 -2.9610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1320 88ILE CB 1318 4.490 3.593 3.422 0.0147 0.5488 -0.2287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1321 88ILE HB 1319 4.396 3.608 3.475 0.5861 -1.9082 1.6164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1322 88ILE CG1 1320 4.578 3.531 3.530 -0.2684 0.2245 -0.1835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1323 88ILE HG11 1321 4.675 3.500 3.490 -0.6490 0.5254 -1.3630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1324 88ILE HG12 1322 4.596 3.606 3.607 -0.6071 0.8906 -0.7447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1325 88ILE CG2 1323 4.453 3.502 3.304 0.3556 0.1825 -0.0546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1326 88ILE HG21 1324 4.398 3.420 3.350 0.8558 -0.2000 -0.1191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1327 88ILE HG22 1325 4.391 3.551 3.230 0.2121 0.1250 0.0283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1328 88ILE HG23 1326 4.538 3.453 3.256 0.6637 -1.2265 1.8197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1329 88ILE CD 1327 4.533 3.401 3.598 -0.1758 0.4113 0.2330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1330 88ILE HD1 1328 4.604 3.369 3.674 0.4222 -2.4782 -1.4200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1331 88ILE HD2 1329 4.440 3.408 3.655 1.7414 -0.3512 3.8078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1332 88ILE HD3 1330 4.515 3.316 3.533 0.1258 0.0232 0.6460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1333 88ILE C 1331 4.537 3.841 3.473 -0.5663 0.5854 -0.3752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1334 88ILE O 1332 4.442 3.862 3.549 0.1087 -0.3185 0.7633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1335 89THR N 1333 4.648 3.915 3.474 0.1126 -0.4042 -0.1295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1336 89THR H 1334 4.716 3.892 3.402 0.0908 -0.3251 -0.1766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1337 89THR CA 1335 4.673 4.006 3.584 0.0511 0.1086 -0.5349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1338 89THR HA 1336 4.689 3.945 3.673 -1.3089 0.1445 -0.2476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1339 89THR CB 1337 4.805 4.082 3.568 0.1443 0.0092 -0.2332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1340 89THR HB 1338 4.807 4.134 3.473 0.8625 0.1616 -0.1447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1341 89THR OG1 1339 4.917 3.997 3.574 -0.1984 -0.4161 0.2381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1342 89THR HG1 1340 4.907 3.946 3.495 1.2479 0.3089 -0.4644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1343 89THR CG2 1341 4.847 4.199 3.658 0.4596 -0.1369 -0.1869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1344 89THR HG21 1342 4.771 4.277 3.649 0.2545 0.0645 2.4855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1345 89THR HG22 1343 4.851 4.170 3.763 1.1730 -1.7180 -0.6147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1346 89THR HG23 1344 4.938 4.244 3.618 1.1867 0.9964 2.5065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1347 89THR C 1345 4.558 4.104 3.604 -0.5063 -0.5758 -0.3666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1348 89THR O 1346 4.512 4.118 3.717 0.5446 -0.0185 0.0074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1349 90ALA N 1347 4.510 4.179 3.505 0.1843 0.0981 -0.2066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1350 90ALA H 1348 4.553 4.165 3.414 -0.1186 -0.5260 -0.2663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1351 90ALA CA 1349 4.409 4.283 3.507 -0.2267 -0.2914 -0.3961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1352 90ALA HA 1350 4.429 4.353 3.588 -0.7171 1.6939 -1.9371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1353 90ALA CB 1351 4.407 4.354 3.372 1.5279 -0.1562 -0.3693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1354 90ALA HB1 1352 4.339 4.439 3.376 1.2731 -0.3917 2.6916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1355 90ALA HB2 1353 4.506 4.394 3.347 1.3183 -1.0670 -2.9773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1356 90ALA HB3 1354 4.382 4.294 3.285 -0.2798 0.7340 -0.4979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1357 90ALA C 1355 4.267 4.229 3.523 -0.4374 0.2469 -0.4503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1358 90ALA O 1356 4.187 4.298 3.587 -0.0745 0.0593 0.2139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1359 91SER N 1357 4.229 4.114 3.468 0.3066 -0.4848 0.5234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1360 91SER H 1358 4.290 4.076 3.398 1.1086 -0.6757 1.3160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1361 91SER CA 1359 4.103 4.047 3.497 -0.0861 -0.1350 -0.3411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1362 91SER HA 1360 4.012 4.103 3.474 -0.1779 -0.5071 -0.9127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1363 91SER CB 1361 4.086 3.920 3.414 0.5129 -0.4160 -0.0433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1364 91SER HB1 1362 4.165 3.851 3.444 1.1525 0.3654 0.1009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1365 91SER HB2 1363 3.988 3.877 3.437 1.2200 -1.2799 1.4702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1366 91SER OG 1364 4.095 3.952 3.277 -0.5702 0.7726 0.1444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1367 91SER HG 1365 4.175 4.000 3.259 1.0928 -2.0700 -0.6171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1368 91SER C 1366 4.096 4.015 3.645 -0.1196 -0.2681 -0.3713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1369 91SER O 1367 4.001 4.061 3.708 -0.0496 -0.4903 -0.1011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1370 92VAL N 1368 4.194 3.948 3.706 0.1809 0.3425 -0.1638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1371 92VAL H 1369 4.263 3.913 3.642 0.3672 1.0904 -0.3713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1372 92VAL CA 1370 4.205 3.913 3.847 0.2793 0.4078 -0.1554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1373 92VAL HA 1371 4.125 3.849 3.882 -1.2642 1.6258 -1.2860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1374 92VAL CB 1372 4.338 3.839 3.864 0.0769 0.0011 -0.3306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1375 92VAL HB 1373 4.416 3.890 3.808 -1.3492 3.1913 0.3587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1376 92VAL CG1 1374 4.386 3.838 4.009 -0.3697 0.2692 -0.1760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1377 92VAL HG11 1375 4.307 3.798 4.072 -1.5184 0.2030 -1.6222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1378 92VAL HG12 1376 4.481 3.784 4.020 1.9584 3.6502 -2.0576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1379 92VAL HG13 1377 4.414 3.933 4.054 1.7756 -0.1622 -0.4910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1380 92VAL CG2 1378 4.344 3.693 3.819 -0.6073 -0.2554 0.3775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1381 92VAL HG21 1379 4.431 3.644 3.862 -0.2631 1.7271 2.1185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1382 92VAL HG22 1380 4.249 3.643 3.839 -2.0410 1.6604 -1.2395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1383 92VAL HG23 1381 4.345 3.680 3.711 -0.6326 -2.3362 0.5945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1384 92VAL C 1382 4.198 4.033 3.940 -0.4717 0.3674 -0.1550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1385 92VAL O 1383 4.125 4.035 4.039 -0.2359 -0.1821 0.0383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1386 93ASN N 1384 4.286 4.131 3.920 0.3517 -0.2201 0.4666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1387 93ASN H 1385 4.347 4.127 3.840 0.9415 3.1877 0.5893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1388 93ASN CA 1386 4.294 4.251 4.001 -0.2807 -0.1382 0.4162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1389 93ASN HA 1387 4.317 4.220 4.103 -0.0490 -1.3320 0.0158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1390 93ASN CB 1388 4.395 4.350 3.943 -0.2804 -0.5714 -0.3387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1391 93ASN HB1 1389 4.403 4.344 3.835 0.0860 -0.2141 -0.3342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1392 93ASN HB2 1390 4.361 4.451 3.965 -1.2074 -0.2254 -3.0130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1393 93ASN CG 1391 4.535 4.327 3.997 -0.0774 0.6785 -0.3009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1394 93ASN OD1 1392 4.625 4.315 3.914 -0.3178 0.0223 -0.4727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1395 93ASN ND2 1393 4.561 4.337 4.128 0.1428 0.7483 -0.3479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1396 93ASN HD21 1394 4.475 4.334 4.182 0.5048 -0.1481 0.2079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1397 93ASN HD22 1395 4.647 4.320 4.176 -0.3803 0.4036 0.4906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1398 93ASN C 1396 4.160 4.323 4.008 0.1169 0.6415 0.0193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1399 93ASN O 1397 4.124 4.388 4.106 0.2464 0.3521 0.2585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1400 94CYS N 1398 4.077 4.309 3.904 0.1579 -0.0956 0.0807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1401 94CYS H 1399 4.121 4.288 3.815 -0.6913 -0.7594 -0.1943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1402 94CYS CA 1400 3.943 4.363 3.902 0.0674 -0.3200 0.1041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1403 94CYS HA 1401 3.947 4.463 3.946 0.7623 0.4141 -1.5445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1404 94CYS CB 1402 3.901 4.394 3.758 -0.0097 -0.5328 0.0812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1405 94CYS HB1 1403 3.979 4.451 3.709 -0.2747 1.2882 1.6850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1406 94CYS HB2 1404 3.899 4.299 3.703 -1.1879 -0.4965 0.0350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1407 94CYS SG 1405 3.741 4.469 3.718 0.3459 0.1284 -0.1017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1408 94CYS C 1406 3.842 4.272 3.970 -0.3115 -0.0767 -0.1234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1409 94CYS O 1407 3.775 4.324 4.059 -0.7079 0.1148 -0.5290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1410 95ALA N 1408 3.844 4.141 3.945 0.2158 -0.0993 0.0165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1411 95ALA H 1409 3.905 4.103 3.874 2.3742 -2.3465 2.8297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1412 95ALA CA 1410 3.754 4.048 4.010 -0.0098 -0.0017 -0.1557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1413 95ALA HA 1411 3.648 4.074 4.011 -0.2931 -0.9757 2.0564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1414 95ALA CB 1412 3.774 3.915 3.937 -0.3666 -0.2722 0.2291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1415 95ALA HB1 1413 3.712 3.837 3.979 -0.0368 0.8075 2.9522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1416 95ALA HB2 1414 3.770 3.928 3.829 1.4286 -0.5288 0.1009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1417 95ALA HB3 1415 3.879 3.888 3.955 -1.0947 -1.3684 3.5449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1418 95ALA C 1416 3.777 4.034 4.160 -0.0760 0.3645 -0.1107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1419 95ALA O 1417 3.684 3.987 4.224 -0.0336 -0.2367 -0.4831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1420 96LYS N 1418 3.895 4.070 4.211 -0.1357 -0.3991 0.5906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1421 96LYS H 1419 3.956 4.117 4.146 -0.8787 -0.6723 -0.3319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1422 96LYS CA 1420 3.923 4.095 4.351 -0.1329 -0.2708 0.5670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1423 96LYS HA 1421 3.888 4.003 4.396 -0.9281 -0.5719 -0.6376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1424 96LYS CB 1422 4.074 4.118 4.366 -0.0552 -0.2391 -0.2027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1425 96LYS HB1 1423 4.101 4.205 4.307 -1.0592 0.4449 0.3005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1426 96LYS HB2 1424 4.091 4.163 4.464 1.4135 -0.1160 -0.4997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1427 96LYS CG 1425 4.157 3.990 4.360 0.1934 -0.0633 -0.5333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1428 96LYS HG1 1426 4.108 3.912 4.418 1.8670 -0.1291 0.8598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1429 96LYS HG2 1427 4.165 3.958 4.256 1.6796 0.8382 -0.7312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1430 96LYS CD 1428 4.301 4.010 4.406 0.0578 0.4300 -0.3197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1431 96LYS HD1 1429 4.340 4.088 4.341 2.0355 1.1879 1.6119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1432 96LYS HD2 1430 4.297 4.058 4.504 -2.8252 -1.3779 0.5625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1433 96LYS CE 1431 4.405 3.897 4.405 0.4415 0.7709 0.1611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1434 96LYS HE1 1432 4.374 3.820 4.475 -0.6529 2.2925 1.4272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1435 96LYS HE2 1433 4.406 3.855 4.305 2.7133 2.0275 -0.4183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1436 96LYS NZ 1434 4.541 3.943 4.435 0.7168 0.2007 -0.2194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1437 96LYS HZ1 1435 4.571 4.024 4.382 1.4095 -1.2456 -2.1565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1438 96LYS HZ2 1436 4.556 3.969 4.531 -0.8554 0.0837 0.0849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1439 96LYS HZ3 1437 4.605 3.869 4.410 0.8337 0.5939 -1.1288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1440 96LYS C 1438 3.838 4.206 4.411 -0.0222 0.1030 0.0426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1441 96LYS O 1439 3.795 4.200 4.526 -0.6112 0.2475 -0.1666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1442 97LYS N 1440 3.801 4.312 4.339 0.1154 0.0828 -0.0572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1443 97LYS H 1441 3.816 4.321 4.239 -1.5899 -0.6054 -0.4054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1444 97LYS CA 1442 3.726 4.426 4.388 -0.0159 -0.0020 -0.0604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1445 97LYS HA 1443 3.741 4.462 4.489 -0.9262 -0.5452 0.2741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1446 97LYS CB 1444 3.757 4.541 4.292 0.2508 -0.1939 -0.2050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1447 97LYS HB1 1445 3.744 4.507 4.189 -0.9154 1.9418 -0.8308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1448 97LYS HB2 1446 3.684 4.622 4.293 0.0045 -0.4065 -1.0093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1449 97LYS CG 1447 3.897 4.600 4.314 0.0106 0.1923 0.3341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1450 97LYS HG1 1448 3.908 4.646 4.412 -1.0137 1.3150 -0.0514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1451 97LYS HG2 1449 3.971 4.520 4.321 0.0798 0.1165 -0.9547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1452 97LYS CD 1450 3.946 4.699 4.208 0.0927 -0.3202 -0.1117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1453 97LYS HD1 1451 3.975 4.648 4.116 -0.0084 -1.2198 0.3412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1454 97LYS HD2 1452 3.868 4.774 4.198 0.2999 0.2080 1.8316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1455 97LYS CE 1453 4.081 4.761 4.242 0.1909 -0.2075 -0.6921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1456 97LYS HE1 1454 4.075 4.798 4.345 -2.2351 -1.8198 -0.1683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1457 97LYS HE2 1455 4.165 4.691 4.248 2.6959 2.6902 1.8283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1458 97LYS NZ 1456 4.106 4.868 4.144 -0.5710 0.2777 -0.3627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1459 97LYS HZ1 1457 4.202 4.896 4.161 0.4079 -3.6477 2.0336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1460 97LYS HZ2 1458 4.113 4.837 4.049 -0.2778 0.6787 -0.4735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1461 97LYS HZ3 1459 4.047 4.947 4.163 -1.0220 0.0356 -0.7409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1462 97LYS C 1460 3.579 4.387 4.386 0.0651 -0.3386 0.5236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1463 97LYS O 1461 3.502 4.438 4.467 -0.3950 0.2887 -0.2982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1464 98ILE N 1462 3.535 4.307 4.289 -0.5403 0.0271 0.4891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1465 98ILE H 1463 3.599 4.271 4.219 -1.2355 -0.7800 0.2431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1466 98ILE CA 1464 3.397 4.268 4.268 -0.4858 0.1841 -0.1927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1467 98ILE HA 1465 3.335 4.357 4.275 -1.3027 -0.4679 1.2142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1468 98ILE CB 1466 3.381 4.224 4.122 0.1286 0.2614 -0.2889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1469 98ILE HB 1467 3.438 4.132 4.113 -1.6395 -0.7914 -1.4613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1470 98ILE CG1 1468 3.443 4.321 4.022 0.2375 0.0888 -0.3881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1471 98ILE HG11 1469 3.365 4.398 4.022 -1.4932 -1.5816 -1.3695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1472 98ILE HG12 1470 3.543 4.354 4.051 0.6108 -0.3496 -1.1588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1473 98ILE CG2 1471 3.243 4.178 4.075 0.3397 0.0305 -0.6813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1474 98ILE HG21 1472 3.263 4.110 3.992 2.3525 -0.3512 0.0824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1475 98ILE HG22 1473 3.189 4.122 4.151 1.6705 0.3159 0.5137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1476 98ILE HG23 1474 3.182 4.266 4.054 -0.6743 0.0479 1.9832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1477 98ILE CD 1475 3.468 4.273 3.879 0.3660 0.1473 -0.3855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1478 98ILE HD1 1476 3.507 4.347 3.810 0.0793 0.2449 -0.4430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1479 98ILE HD2 1477 3.537 4.188 3.874 -2.1515 -2.0461 -0.2176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1480 98ILE HD3 1478 3.374 4.234 3.838 -0.2183 1.8012 -0.6710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1481 98ILE C 1479 3.356 4.155 4.362 0.0802 -0.2484 -0.4574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1482 98ILE O 1480 3.241 4.151 4.404 0.2117 -0.3358 -0.1107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1483 99VAL N 1481 3.449 4.078 4.418 0.0087 -0.3083 -0.4222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1484 99VAL H 1482 3.545 4.084 4.388 -0.0539 1.3369 -0.3327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1485 99VAL CA 1483 3.414 3.983 4.523 -0.1269 0.1931 -0.0114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1486 99VAL HA 1484 3.319 3.937 4.499 0.1176 0.7743 -2.3507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1487 99VAL CB 1485 3.512 3.866 4.523 -0.1015 0.2114 -0.2943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1488 99VAL HB 1486 3.507 3.836 4.419 0.1477 1.5391 -0.7039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1489 99VAL CG1 1487 3.657 3.907 4.546 -0.2062 0.2582 0.3051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1490 99VAL HG11 1488 3.727 3.824 4.556 2.1843 1.7329 -2.5794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1491 99VAL HG12 1489 3.691 3.966 4.460 -1.5419 -0.7977 -0.9804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1492 99VAL HG13 1490 3.669 3.971 4.634 -0.8486 -1.0754 1.3945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1493 99VAL CG2 1491 3.467 3.744 4.605 -0.3144 0.2585 -0.3402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1494 99VAL HG21 1492 3.529 3.656 4.586 -1.9797 -0.9862 -0.1491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1495 99VAL HG22 1493 3.470 3.770 4.710 2.2177 -1.6460 0.1664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1496 99VAL HG23 1494 3.369 3.706 4.578 0.6148 -1.4712 -1.4822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1497 99VAL C 1495 3.402 4.053 4.658 0.6934 -0.3037 0.3252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1498 99VAL O 1496 3.331 4.005 4.745 0.3164 0.5570 0.4958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1499 100SER N 1497 3.467 4.169 4.672 -0.4481 0.3648 0.1709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1500 100SER H 1498 3.513 4.189 4.584 -0.2270 -2.2566 -0.3856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1501 100SER CA 1499 3.486 4.251 4.790 -0.3200 -0.2630 0.5911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1502 100SER HA 1500 3.465 4.187 4.876 0.0666 -1.1247 0.0573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1503 100SER CB 1501 3.627 4.310 4.790 -0.2779 -0.3128 -1.0759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1504 100SER HB1 1502 3.646 4.372 4.703 -1.8478 1.4095 -0.2610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1505 100SER HB2 1503 3.655 4.373 4.874 -0.2961 -0.9710 -0.5702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1506 100SER OG 1504 3.719 4.203 4.790 0.0197 -0.0631 -0.0526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1507 100SER HG 1505 3.717 4.185 4.698 -0.1336 -1.6114 0.2225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1508 100SER C 1506 3.376 4.356 4.794 0.3785 0.5060 -0.1000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1509 100SER O 1507 3.377 4.439 4.884 -0.3363 -0.1817 0.5584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1510 101ASP N 1508 3.274 4.361 4.707 -0.2809 -0.3970 0.6096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1511 101ASP H 1509 3.263 4.282 4.645 1.3169 -0.4373 0.3461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1512 101ASP CA 1510 3.171 4.461 4.690 0.3630 0.2784 0.6446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1513 101ASP HA 1511 3.220 4.555 4.714 -1.3124 0.9065 1.7758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1514 101ASP CB 1512 3.141 4.480 4.541 -0.4713 -0.1009 0.7588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1515 101ASP HB1 1513 3.228 4.513 4.484 -2.0790 -0.1985 -1.9192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1516 101ASP HB2 1514 3.111 4.392 4.484 0.2672 2.3598 -3.9545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1517 101ASP CG 1515 3.033 4.583 4.511 0.0217 0.2436 0.1367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1518 101ASP OD1 1516 3.060 4.700 4.545 0.4470 0.3622 -0.5935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1519 101ASP OD2 1517 2.924 4.544 4.463 0.2416 -0.4465 0.1872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1520 101ASP C 1518 3.053 4.457 4.785 0.0782 -0.0827 0.2794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1521 101ASP O 1519 3.006 4.562 4.829 -0.7672 -0.2321 -0.2468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1522 102GLY N 1520 3.012 4.337 4.826 -0.0110 -0.1821 -0.0917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1523 102GLY H 1521 3.056 4.269 4.766 1.8908 2.3041 -1.6779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1524 102GLY CA 1522 2.930 4.298 4.939 -0.0127 0.1124 0.0087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1525 102GLY HA1 1523 2.989 4.252 5.018 1.8558 -0.5881 -1.7087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1526 102GLY HA2 1524 2.885 4.385 4.989 -1.9659 -0.2430 -1.0416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1527 102GLY C 1525 2.821 4.199 4.901 -0.2917 0.5528 -0.3495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1528 102GLY O 1526 2.714 4.207 4.961 -0.2850 0.2734 -0.2980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1529 103ASN N 1527 2.853 4.100 4.818 0.3063 0.1075 0.4018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1530 103ASN H 1528 2.951 4.091 4.794 -0.5033 -1.1452 -3.0629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1531 103ASN CA 1529 2.762 3.993 4.781 0.5044 0.2190 -0.4226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1532 103ASN HA 1530 2.690 3.978 4.861 1.1395 2.4224 0.6430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1533 103ASN CB 1531 2.672 4.049 4.671 0.3204 0.2041 -0.2807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1534 103ASN HB1 1532 2.656 4.157 4.673 -1.6962 0.0071 -1.8621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1535 103ASN HB2 1533 2.710 4.034 4.570 2.5307 0.3397 0.4781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1536 103ASN CG 1534 2.533 3.987 4.668 0.2939 0.2413 0.1913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1537 103ASN OD1 1535 2.516 3.869 4.700 0.2129 0.1993 -0.0049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1538 103ASN ND2 1536 2.430 4.064 4.634 0.2711 0.1075 -0.0462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1539 103ASN HD21 1537 2.435 4.163 4.617 0.0526 -0.1371 -1.6900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1540 103ASN HD22 1538 2.340 4.019 4.644 0.1877 0.2790 -0.0129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1541 103ASN C 1539 2.839 3.865 4.750 -0.2273 -0.0979 -0.9840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1542 103ASN O 1540 2.795 3.753 4.774 0.3265 -0.1632 -0.2372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1543 104GLY N 1541 2.964 3.880 4.704 0.1121 0.5211 0.1001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1544 104GLY H 1542 2.993 3.976 4.695 1.4622 0.5016 2.9794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1545 104GLY CA 1543 3.061 3.774 4.688 0.6233 1.0224 -0.1517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1546 104GLY HA1 1544 3.157 3.779 4.741 0.6141 -0.2040 0.0083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1547 104GLY HA2 1545 3.022 3.681 4.729 1.2085 0.1025 -1.6093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1548 104GLY C 1546 3.088 3.746 4.541 0.4597 0.2888 -0.0490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1549 104GLY O 1547 3.079 3.837 4.458 0.4537 0.3108 -0.0244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1550 105MET N 1548 3.111 3.619 4.508 0.4841 0.2864 -0.0224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1551 105MET H 1549 3.124 3.563 4.591 0.1238 -0.3964 -0.4180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1552 105MET CA 1550 3.112 3.556 4.377 -0.0559 -0.1417 0.1796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1553 105MET HA 1551 3.180 3.616 4.317 -0.2590 0.6795 0.7552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1554 105MET CB 1552 3.174 3.417 4.396 0.1824 -0.1175 -0.3898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1555 105MET HB1 1553 3.128 3.371 4.484 0.1541 1.2424 0.3291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1556 105MET HB2 1554 3.149 3.355 4.310 -0.9795 1.6385 -1.3753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1557 105MET CG 1555 3.326 3.424 4.410 0.2267 0.1079 -0.9811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1558 105MET HG1 1556 3.365 3.514 4.362 -0.0176 0.0132 -1.3646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1559 105MET HG2 1557 3.357 3.438 4.513 -0.4586 0.0866 -0.7652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1560 105MET SD 1558 3.426 3.286 4.347 0.2016 -0.2941 -0.1492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1561 105MET CE 1559 3.440 3.317 4.169 0.1396 -0.1903 -0.1367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1562 105MET HE1 1560 3.451 3.222 4.117 -1.4495 -0.8627 0.6631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1563 105MET HE2 1561 3.343 3.358 4.139 0.0972 0.6734 1.1041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1564 105MET HE3 1562 3.522 3.387 4.154 0.2095 0.0713 1.2909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1565 105MET C 1563 2.970 3.548 4.324 0.1864 0.6439 -0.6104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1566 105MET O 1564 2.952 3.495 4.215 0.1518 0.3629 -0.4698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1567 106ASN N 1565 2.869 3.602 4.393 0.1035 0.2392 -0.4075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1568 106ASN H 1566 2.881 3.635 4.488 -1.0120 -1.5919 0.4198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1569 106ASN CA 1567 2.735 3.603 4.339 -0.0801 0.4732 0.0544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1570 106ASN HA 1568 2.709 3.506 4.297 0.0949 1.6820 -3.0580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1571 106ASN CB 1569 2.637 3.634 4.453 0.0206 0.3256 0.1823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1572 106ASN HB1 1570 2.661 3.729 4.502 -2.6635 0.6884 0.9703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1573 106ASN HB2 1571 2.537 3.649 4.410 -0.0342 -1.1201 -0.2662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1574 106ASN CG 1572 2.625 3.513 4.544 0.2261 -0.1391 -0.3973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1575 106ASN OD1 1573 2.593 3.408 4.489 0.5095 -0.0054 -0.8187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1576 106ASN ND2 1574 2.667 3.526 4.670 0.1672 0.2012 -0.4120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1577 106ASN HD21 1575 2.701 3.614 4.708 -1.2955 0.4260 0.4494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1578 106ASN HD22 1576 2.691 3.441 4.718 -0.9729 -0.0364 -0.2422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1579 106ASN C 1577 2.713 3.708 4.231 0.2776 -0.1948 -0.6675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1580 106ASN O 1578 2.609 3.710 4.166 -0.0436 -0.0312 -0.1564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1581 107ALA N 1579 2.814 3.793 4.211 0.4357 -0.2096 0.0346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1582 107ALA H 1580 2.898 3.797 4.266 0.9384 -1.3957 -0.6031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1583 107ALA CA 1581 2.814 3.887 4.101 -0.1125 -0.1199 0.1099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1584 107ALA HA 1582 2.722 3.947 4.101 -0.3506 -0.4868 0.1315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1585 107ALA CB 1583 2.935 3.979 4.119 -0.0035 -0.2699 0.1331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1586 107ALA HB1 1584 2.949 4.050 4.037 -0.1322 -2.0588 -1.5161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1587 107ALA HB2 1585 2.929 4.019 4.220 -0.9877 -2.8057 1.1643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1588 107ALA HB3 1586 3.028 3.922 4.126 0.1301 -0.2536 -1.1700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1589 107ALA C 1587 2.832 3.823 3.964 0.2929 -0.4200 0.3029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1590 107ALA O 1588 2.813 3.893 3.866 0.4331 0.0247 0.5945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1591 108TRP N 1589 2.861 3.692 3.965 0.1758 -0.4462 0.1992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1592 108TRP H 1590 2.882 3.653 4.055 1.9202 3.4998 1.7304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1593 108TRP CA 1591 2.876 3.607 3.849 -0.1963 0.2154 -0.3471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1594 108TRP HA 1592 2.881 3.657 3.752 0.2060 1.0799 0.1135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1595 108TRP CB 1593 3.013 3.539 3.864 -0.0787 0.6469 0.5843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1596 108TRP HB1 1594 3.030 3.488 3.959 -0.3059 1.7074 1.2114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1597 108TRP HB2 1595 3.003 3.457 3.793 0.4030 -1.3046 2.6560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1598 108TRP CG 1596 3.131 3.624 3.832 0.4139 -0.3053 -0.1705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1599 108TRP CD1 1597 3.162 3.656 3.704 0.2098 0.0596 -0.1301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1600 108TRP HD1 1598 3.113 3.612 3.618 -0.1028 0.0020 0.0763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1601 108TRP CD2 1599 3.210 3.710 3.920 -0.5974 0.5271 -0.0632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1602 108TRP NE1 1600 3.266 3.747 3.707 0.1219 0.1530 0.0369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1603 108TRP HE1 1601 3.298 3.781 3.618 2.2833 -1.5209 0.1004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1604 108TRP CE2 1602 3.306 3.774 3.837 -0.0786 0.0026 0.1303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1605 108TRP CE3 1603 3.211 3.734 4.058 -0.2851 0.7546 -0.1043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1606 108TRP HE3 1604 3.149 3.671 4.120 1.8637 -0.1300 1.2517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1607 108TRP CZ2 1605 3.405 3.856 3.891 0.1225 -0.0858 -0.1015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1608 108TRP HZ2 1606 3.477 3.901 3.824 -0.1484 -1.3467 -1.2873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1609 108TRP CZ3 1607 3.304 3.827 4.107 0.0375 0.3971 -0.0356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1610 108TRP HZ3 1608 3.304 3.851 4.212 -0.5638 1.1573 -0.2028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1611 108TRP CH2 1609 3.409 3.878 4.029 0.2582 -0.1460 -0.0961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1612 108TRP HH2 1610 3.486 3.934 4.080 0.1591 0.4674 -0.6216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1613 108TRP C 1611 2.771 3.497 3.855 0.0977 -0.0508 0.0583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1614 108TRP O 1612 2.771 3.404 3.934 -0.1103 -0.2566 -0.1817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1615 109VAL N 1613 2.677 3.509 3.760 0.5023 0.2242 -0.3110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1616 109VAL H 1614 2.700 3.579 3.691 1.2896 0.2979 0.0151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1617 109VAL CA 1615 2.557 3.430 3.743 0.4818 0.1301 0.2405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1618 109VAL HA 1616 2.501 3.435 3.836 0.6432 -0.6974 0.3867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1619 109VAL CB 1617 2.477 3.488 3.626 0.2218 0.1291 0.4159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1620 109VAL HB 1618 2.478 3.596 3.643 3.0885 0.5721 -1.7499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1621 109VAL CG1 1619 2.545 3.465 3.491 -0.4688 -0.7424 0.2081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1622 109VAL HG11 1620 2.540 3.552 3.425 0.6854 -1.8751 -1.4539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1623 109VAL HG12 1621 2.652 3.441 3.493 -0.5595 -1.2979 -0.7317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1624 109VAL HG13 1622 2.505 3.390 3.423 -0.6335 -1.1611 0.7592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1625 109VAL CG2 1623 2.337 3.427 3.621 0.2561 0.0775 0.0626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1626 109VAL HG21 1624 2.269 3.501 3.579 -1.5162 -1.6082 -0.1577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1627 109VAL HG22 1625 2.351 3.334 3.565 2.2233 0.8523 -0.8382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1628 109VAL HG23 1626 2.291 3.394 3.714 -0.3552 -1.1176 -0.6423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1629 109VAL C 1627 2.591 3.283 3.729 0.0435 0.0495 -0.0178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1630 109VAL O 1628 2.513 3.191 3.753 0.0091 0.1589 0.2889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1631 110ALA N 1629 2.711 3.254 3.678 0.1794 0.5220 0.0310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1632 110ALA H 1630 2.772 3.330 3.653 0.2748 0.1205 -0.9705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1633 110ALA CA 1631 2.748 3.117 3.645 -0.2361 0.3911 0.1051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1634 110ALA HA 1632 2.655 3.075 3.609 -0.4925 1.2287 -0.2363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1635 110ALA CB 1633 2.842 3.101 3.526 0.4047 -0.5916 0.7308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1636 110ALA HB1 1634 2.859 3.003 3.482 1.1330 0.9745 -2.7754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1637 110ALA HB2 1635 2.808 3.154 3.437 -0.8449 1.1567 2.1744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1638 110ALA HB3 1636 2.943 3.139 3.540 0.7729 -0.1620 -2.4231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1639 110ALA C 1637 2.795 3.045 3.771 -0.0305 -0.0698 -0.2373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1640 110ALA O 1638 2.763 2.927 3.778 -0.6094 0.0977 -0.0199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1641 111TRP N 1639 2.854 3.125 3.861 -0.8028 0.6207 -0.3360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1642 111TRP H 1640 2.866 3.221 3.835 -0.4808 -0.1512 -3.5638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1643 111TRP CA 1641 2.890 3.073 3.991 0.0945 0.1807 -0.7482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1644 111TRP HA 1642 2.947 2.984 3.966 0.8096 0.7819 -1.2972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1645 111TRP CB 1643 2.993 3.164 4.058 -0.1711 -0.1530 0.1270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1646 111TRP HB1 1644 3.074 3.188 3.990 0.4639 -1.5664 0.3564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1647 111TRP HB2 1645 2.957 3.265 4.082 3.0940 1.4544 -1.1634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1648 111TRP CG 1646 3.045 3.105 4.185 0.5020 -0.3023 -0.2116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1649 111TRP CD1 1647 3.149 3.020 4.197 0.5043 -0.2522 0.1356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1650 111TRP HD1 1648 3.210 2.995 4.111 1.3471 0.6655 0.4407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1651 111TRP CD2 1649 2.988 3.123 4.319 0.1903 -0.0453 -0.3774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1652 111TRP NE1 1650 3.145 2.965 4.324 0.4307 0.3369 0.3959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1653 111TRP HE1 1651 3.222 2.921 4.373 -0.5224 1.3121 2.8837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1654 111TRP CE2 1652 3.054 3.031 4.404 0.0933 0.2844 0.0598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1655 111TRP CE3 1653 2.881 3.197 4.372 0.3347 -0.0051 -0.1411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1656 111TRP HE3 1654 2.824 3.260 4.306 -1.3004 -1.3674 -0.0888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1657 111TRP CZ2 1655 3.025 3.026 4.540 0.2357 0.3108 0.0917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1658 111TRP HZ2 1656 3.075 2.963 4.613 -0.9113 0.5512 1.1255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1659 111TRP CZ3 1657 2.849 3.193 4.508 0.2442 0.0364 -0.1606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1660 111TRP HZ3 1658 2.762 3.242 4.547 0.0941 1.5550 -2.2919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1661 111TRP CH2 1659 2.922 3.106 4.591 -0.4499 -0.4582 -0.0619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1662 111TRP HH2 1660 2.892 3.084 4.692 0.8522 1.4262 0.8053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1663 111TRP C 1661 2.767 3.039 4.074 0.3966 -0.4383 -0.5450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1664 111TRP O 1662 2.770 2.941 4.147 -0.1453 -0.2692 -0.2906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1665 112ARG N 1663 2.658 3.116 4.058 0.3674 -0.3468 0.0835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1666 112ARG H 1664 2.656 3.193 3.992 -0.8537 -0.4859 -0.0607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1667 112ARG CA 1665 2.536 3.095 4.133 0.1412 -0.0558 -0.2001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1668 112ARG HA 1666 2.560 3.068 4.236 -0.2330 2.3869 0.5803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1669 112ARG CB 1667 2.438 3.212 4.122 0.2070 -0.0269 -0.4869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1670 112ARG HB1 1668 2.382 3.211 4.028 -1.1722 -2.0966 0.2771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1671 112ARG HB2 1669 2.362 3.193 4.198 0.2528 -0.5440 -0.5668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1672 112ARG CG 1670 2.500 3.349 4.149 -0.1529 0.0083 0.1728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1673 112ARG HG1 1671 2.578 3.344 4.224 0.3648 -0.8482 -0.4069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1674 112ARG HG2 1672 2.545 3.373 4.053 -1.2995 -1.2835 -0.7270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1675 112ARG CD 1673 2.394 3.449 4.195 0.1335 0.2829 0.2392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1676 112ARG HD1 1674 2.328 3.399 4.267 1.5482 -0.5130 1.0441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1677 112ARG HD2 1675 2.438 3.538 4.241 -1.7007 0.7348 1.2225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1678 112ARG NE 1676 2.321 3.478 4.072 0.2560 0.1763 0.1411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1679 112ARG HE 1677 2.263 3.399 4.048 0.2749 -0.1691 1.1770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1680 112ARG CZ 1678 2.321 3.576 3.981 -0.4414 -0.4308 -0.5315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1681 112ARG NH1 1679 2.412 3.673 3.995 -1.0097 0.0621 -0.1971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1682 112ARG HH11 1680 2.482 3.676 4.068 -1.7908 2.1856 0.5542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1683 112ARG HH12 1681 2.410 3.755 3.936 -0.2008 -0.1998 -0.6182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1684 112ARG NH2 1682 2.234 3.590 3.880 0.2016 -0.3520 -1.0845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1685 112ARG HH21 1683 2.159 3.523 3.864 -0.1554 -0.2471 0.0109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1686 112ARG HH22 1684 2.239 3.678 3.831 -0.1388 0.0277 -0.4446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1687 112ARG C 1685 2.473 2.968 4.077 0.3901 -0.3691 0.2245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1688 112ARG O 1686 2.439 2.877 4.153 -0.2972 -0.0547 0.3031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1689 113ASN N 1687 2.459 2.963 3.944 0.2242 -0.0646 0.2286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1690 113ASN H 1688 2.470 3.049 3.894 -1.4367 0.0558 0.0236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1691 113ASN CA 1689 2.388 2.858 3.874 -0.0069 0.2729 -0.0438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1692 113ASN HA 1690 2.298 2.824 3.925 1.2119 -3.4041 -0.0338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1693 113ASN CB 1691 2.335 2.907 3.739 -0.2460 -0.0080 -0.0512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1694 113ASN HB1 1692 2.416 2.947 3.680 0.8854 -0.4637 1.1407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1695 113ASN HB2 1693 2.296 2.822 3.682 -0.1815 -0.6931 0.8886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1696 113ASN CG 1694 2.223 3.010 3.747 -0.7908 -0.5495 -0.5353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1697 113ASN OD1 1695 2.140 3.016 3.837 0.0367 0.1772 0.2048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1698 113ASN ND2 1696 2.204 3.099 3.650 0.9903 0.2774 -0.1716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1699 113ASN HD21 1697 2.239 3.092 3.555 -0.4766 -1.1673 -0.6515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1700 113ASN HD22 1698 2.119 3.153 3.656 2.2393 2.2475 0.7317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1701 113ASN C 1699 2.461 2.725 3.857 -0.1235 0.2201 -0.1288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1702 113ASN O 1700 2.393 2.623 3.843 0.5602 -0.3859 0.8547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1703 114ARG N 1701 2.594 2.725 3.849 -0.1406 0.1155 -0.4188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1704 114ARG H 1702 2.652 2.807 3.862 1.2329 -1.1942 2.4506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1705 114ARG CA 1703 2.660 2.601 3.813 -0.4508 -0.1657 -0.0227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1706 114ARG HA 1704 2.585 2.523 3.828 -1.2184 0.4474 -0.5430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1707 114ARG CB 1705 2.706 2.592 3.667 -0.6058 -0.4716 -0.0526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1708 114ARG HB1 1706 2.778 2.670 3.644 -0.7858 0.4388 2.1882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1709 114ARG HB2 1707 2.761 2.498 3.655 -0.3282 -0.6135 1.8997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1710 114ARG CG 1708 2.591 2.590 3.567 -0.2774 -0.0358 -0.4352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1711 114ARG HG1 1709 2.525 2.508 3.594 1.2472 -1.3856 -0.6706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1712 114ARG HG2 1710 2.537 2.684 3.578 -0.1201 0.1529 -1.2042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1713 114ARG CD 1711 2.633 2.567 3.421 -0.5916 -0.3372 -0.4776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1714 114ARG HD1 1712 2.727 2.515 3.406 -0.4450 -0.0111 -0.6893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1715 114ARG HD2 1713 2.558 2.505 3.372 0.2214 -1.1230 -0.7492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1716 114ARG NE 1714 2.616 2.684 3.335 -0.0047 0.0843 -0.0374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1717 114ARG HE 1715 2.573 2.766 3.374 2.4546 1.5788 -0.3181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1718 114ARG CZ 1716 2.656 2.688 3.207 0.0995 0.3211 0.0032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1719 114ARG NH1 1717 2.715 2.583 3.149 -0.3188 0.1581 -0.1344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1720 114ARG HH11 1718 2.709 2.488 3.183 1.4357 -0.1376 -0.5694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1721 114ARG HH12 1719 2.738 2.595 3.051 -0.7928 -0.9400 -0.3947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1722 114ARG NH2 1720 2.656 2.805 3.140 -0.0883 0.0473 -0.4818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1723 114ARG HH21 1721 2.628 2.887 3.191 2.0673 2.2957 -2.6909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1724 114ARG HH22 1722 2.693 2.822 3.048 0.9538 -1.3891 -0.3637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1725 114ARG C 1723 2.771 2.570 3.912 -0.0706 -0.2444 -0.4729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1726 114ARG O 1724 2.829 2.463 3.898 -0.3141 -0.3624 -0.5830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1727 115CYS N 1725 2.794 2.646 4.019 0.0166 -0.1492 -0.5583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1728 115CYS H 1726 2.752 2.738 4.019 2.9265 1.2698 -1.2747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1729 115CYS CA 1727 2.905 2.622 4.109 -0.3929 -0.1796 -0.0514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1730 115CYS HA 1728 2.952 2.526 4.089 -0.5061 -0.7592 2.2513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1731 115CYS CB 1729 3.018 2.725 4.094 -0.0475 -0.5937 -0.3137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1732 115CYS HB1 1730 2.994 2.825 4.130 0.8136 -1.1712 2.0237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1733 115CYS HB2 1731 3.096 2.701 4.165 -1.6154 2.3641 2.6759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1734 115CYS SG 1732 3.091 2.756 3.932 0.1757 0.2395 -0.0553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1735 115CYS C 1733 2.867 2.611 4.256 0.1917 0.2292 0.1335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1736 115CYS O 1734 2.918 2.520 4.320 -0.2689 -0.0821 0.0606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1737 116LYS N 1735 2.791 2.708 4.306 -0.0375 0.0966 0.0410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1738 116LYS H 1736 2.768 2.784 4.243 -4.1630 -1.3838 -0.5770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1739 116LYS CA 1737 2.755 2.725 4.445 0.3587 0.0682 0.1475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1740 116LYS HA 1738 2.848 2.751 4.496 0.1244 -0.3813 0.8138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1741 116LYS CB 1739 2.660 2.845 4.455 0.1678 -0.0670 -0.0486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1742 116LYS HB1 1740 2.713 2.925 4.404 2.7096 1.1656 4.0922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1743 116LYS HB2 1741 2.574 2.816 4.394 0.7215 -0.0066 -0.8764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1744 116LYS CG 1742 2.622 2.884 4.597 0.3673 -0.1723 0.0335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1745 116LYS HG1 1743 2.564 2.804 4.644 2.2352 -1.1763 0.7323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1746 116LYS HG2 1744 2.708 2.900 4.662 0.5850 -0.0726 -0.2785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1747 116LYS CD 1745 2.531 3.007 4.595 0.3556 -0.1667 0.6325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1748 116LYS HD1 1746 2.565 3.083 4.525 0.2038 0.0874 0.8315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1749 116LYS HD2 1747 2.437 2.964 4.559 1.2002 -0.8911 -0.7818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1750 116LYS CE 1748 2.511 3.068 4.734 0.5990 -0.5478 0.8369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1751 116LYS HE1 1749 2.519 2.983 4.802 2.2946 0.0210 1.3950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1752 116LYS HE2 1750 2.584 3.145 4.756 0.1430 1.0603 -2.5911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1753 116LYS NZ 1751 2.374 3.118 4.753 0.6465 -0.3807 0.7387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1754 116LYS HZ1 1752 2.349 3.158 4.843 -1.6446 0.3985 -0.1903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1755 116LYS HZ2 1753 2.347 3.196 4.695 -2.1030 -0.4988 1.7245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1756 116LYS HZ3 1754 2.300 3.050 4.755 0.3185 -0.0666 -0.3065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1757 116LYS C 1755 2.698 2.597 4.505 -0.2539 -0.0554 -0.6814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1758 116LYS O 1756 2.608 2.538 4.446 -0.0297 -0.4703 -0.6088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1759 117GLY N 1757 2.765 2.542 4.606 -0.3138 -0.0229 -0.6233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1760 117GLY H 1758 2.856 2.577 4.636 0.2304 0.4778 -2.7083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1761 117GLY CA 1759 2.705 2.430 4.675 0.1865 0.1166 0.0448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1762 117GLY HA1 1760 2.711 2.441 4.784 1.3776 -1.3179 0.1610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1763 117GLY HA2 1761 2.599 2.424 4.652 0.4660 1.2470 -1.6883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1764 117GLY C 1762 2.765 2.295 4.639 -0.0796 -0.0270 0.1337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1765 117GLY O 1763 2.740 2.198 4.710 0.1048 0.0689 0.3288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1766 118THR N 1764 2.848 2.284 4.534 0.5399 0.5742 0.5582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1767 118THR H 1765 2.877 2.373 4.496 1.0211 -0.4355 -1.5493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1768 118THR CA 1766 2.904 2.164 4.477 0.0699 0.5280 0.1942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1769 118THR HA 1767 2.847 2.072 4.495 2.3698 -1.3768 -1.5954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1770 118THR CB 1768 2.921 2.172 4.325 0.2093 0.0586 0.1819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1771 118THR HB 1769 2.946 2.072 4.289 -0.8099 0.0318 -0.5039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1772 118THR OG1 1770 3.009 2.270 4.275 -0.1678 0.4726 0.3140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1773 118THR HG1 1771 2.981 2.356 4.303 1.1706 0.3162 2.3813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1774 118THR CG2 1772 2.785 2.201 4.260 -0.0193 -0.3371 0.4795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1775 118THR HG21 1773 2.784 2.179 4.153 -3.0123 -0.5153 0.4802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1776 118THR HG22 1774 2.707 2.141 4.307 -0.0365 -0.1613 0.6769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1777 118THR HG23 1775 2.745 2.300 4.279 1.1060 -0.1383 2.0176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1778 118THR C 1776 3.043 2.135 4.530 -0.2856 -0.1077 0.7909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1779 118THR O 1777 3.104 2.226 4.586 -0.1063 0.3539 -0.1370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1780 119ASP N 1778 3.106 2.020 4.502 0.7124 0.7164 -0.4869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1781 119ASP H 1779 3.049 1.957 4.448 0.3644 -0.1759 0.8489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1782 119ASP CA 1780 3.241 1.985 4.542 0.3292 0.0150 0.2387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1783 119ASP HA 1781 3.272 2.018 4.641 1.3061 0.5861 -0.2390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1784 119ASP CB 1782 3.245 1.832 4.534 -0.4460 0.0190 -0.3339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1785 119ASP HB1 1783 3.169 1.799 4.605 0.5810 2.8779 2.3420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1786 119ASP HB2 1784 3.210 1.817 4.431 -0.9688 3.9754 -0.9318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1787 119ASP CG 1785 3.385 1.778 4.558 -0.5486 -0.0246 0.1758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1788 119ASP OD1 1786 3.467 1.839 4.630 0.4058 -0.2073 -0.7209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1789 119ASP OD2 1787 3.418 1.675 4.495 -0.2389 -0.1425 0.5283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1790 119ASP C 1788 3.329 2.060 4.442 0.2110 0.0410 0.1539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1791 119ASP O 1789 3.371 2.001 4.343 0.3552 0.2957 0.0664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1792 120VAL N 1790 3.354 2.190 4.459 0.1376 0.0797 -0.0385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1793 120VAL H 1791 3.288 2.232 4.524 -1.2209 -1.0846 -0.5989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1794 120VAL CA 1792 3.427 2.271 4.364 -0.0657 -0.2282 -0.4636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1795 120VAL HA 1793 3.388 2.255 4.264 1.5701 -1.5670 -0.9304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1796 120VAL CB 1794 3.405 2.417 4.406 -0.4205 -0.5313 0.4346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1797 120VAL HB 1795 3.454 2.490 4.341 -0.5089 0.4128 1.4088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1798 120VAL CG1 1796 3.257 2.452 4.385 -0.2728 -0.0544 0.1882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1799 120VAL HG11 1797 3.243 2.560 4.389 -0.2509 -0.0938 1.5123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1800 120VAL HG12 1798 3.214 2.427 4.288 -2.1060 4.1504 -0.2901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1801 120VAL HG13 1799 3.195 2.405 4.461 -0.3930 0.0967 0.1839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1802 120VAL CG2 1800 3.441 2.449 4.551 -0.4617 0.3532 0.2555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1803 120VAL HG21 1801 3.427 2.553 4.579 2.9655 0.3002 2.7594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1804 120VAL HG22 1802 3.380 2.398 4.625 -1.8476 -1.1209 -1.8091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1805 120VAL HG23 1803 3.546 2.448 4.581 -0.7862 -0.6925 1.4437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1806 120VAL C 1804 3.576 2.241 4.365 0.0360 0.2628 0.4224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1807 120VAL O 1805 3.647 2.300 4.284 1.0493 -0.5140 0.7314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1808 121GLN N 1806 3.626 2.152 4.452 -0.0650 -0.3620 -0.1471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1809 121GLN H 1807 3.555 2.098 4.499 0.4445 -1.1362 -0.2528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1810 121GLN CA 1808 3.764 2.112 4.459 -0.0004 -0.1033 0.0797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1811 121GLN HA 1809 3.839 2.190 4.452 -0.1969 0.0128 -0.8115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1812 121GLN CB 1810 3.768 2.052 4.600 -0.8609 -0.1872 0.0691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1813 121GLN HB1 1811 3.729 2.133 4.663 -1.4236 1.1913 -1.9469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1814 121GLN HB2 1812 3.705 1.963 4.609 -0.9386 -0.1006 0.4072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1815 121GLN CG 1813 3.907 2.021 4.655 -0.7388 -0.0301 -0.1529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1816 121GLN HG1 1814 3.969 1.963 4.586 2.1250 -0.1872 2.3352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1817 121GLN HG2 1815 3.955 2.117 4.673 -2.7662 0.6263 2.2206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1818 121GLN CD 1816 3.916 1.948 4.788 -0.4151 0.5562 0.1484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1819 121GLN OE1 1817 4.025 1.901 4.819 -0.5691 0.0052 -0.1443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1820 121GLN NE2 1818 3.802 1.929 4.855 -0.3785 0.2843 0.1314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1821 121GLN HE21 1819 3.712 1.967 4.832 0.0269 2.0433 1.2539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1822 121GLN HE22 1820 3.817 1.868 4.935 1.5940 0.9154 0.3083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1823 121GLN C 1821 3.803 2.009 4.354 -0.1286 0.3164 -0.3821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1824 121GLN O 1822 3.918 2.005 4.312 -0.0008 0.0790 -0.0168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1825 122ALA N 1823 3.698 1.947 4.301 -0.4872 0.4855 0.1205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1826 122ALA H 1824 3.605 1.961 4.338 -2.2185 -2.2252 -2.6747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1827 122ALA CA 1825 3.696 1.880 4.172 0.3686 -0.2906 0.5006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1828 122ALA HA 1826 3.745 1.784 4.189 -0.2468 -0.8062 -0.5653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1829 122ALA CB 1827 3.556 1.834 4.131 0.4317 -0.0754 0.0403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1830 122ALA HB1 1828 3.553 1.751 4.060 1.7808 -0.5649 0.5243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1831 122ALA HB2 1829 3.502 1.794 4.217 1.4044 -2.4140 -0.3637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1832 122ALA HB3 1830 3.494 1.916 4.096 1.0777 0.0228 -0.9271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1833 122ALA C 1831 3.773 1.943 4.058 -0.5846 0.0906 0.0579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1834 122ALA O 1832 3.842 1.873 3.983 -0.2919 -0.2154 0.6116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1835 123TRP N 1833 3.766 2.077 4.054 -0.1343 0.1096 -0.1720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1836 123TRP H 1834 3.691 2.129 4.095 0.9555 1.3348 0.3300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1837 123TRP CA 1835 3.839 2.165 3.964 0.0312 0.3238 0.1720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1838 123TRP HA 1836 3.824 2.131 3.862 1.5253 -1.9501 0.6298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1839 123TRP CB 1837 3.777 2.305 3.971 -0.5156 0.0892 0.1430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1840 123TRP HB1 1838 3.779 2.349 4.071 -0.8104 0.2145 0.0938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1841 123TRP HB2 1839 3.846 2.368 3.915 -0.8889 0.8064 0.4822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1842 123TRP CG 1840 3.641 2.311 3.909 -0.3812 -0.0575 -0.1692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1843 123TRP CD1 1841 3.530 2.315 3.986 0.0090 -0.1632 0.4142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1844 123TRP HD1 1842 3.518 2.334 4.091 -0.3509 -1.6735 0.6642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1845 123TRP CD2 1843 3.602 2.288 3.771 0.3438 -0.0473 -0.3836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1846 123TRP NE1 1844 3.421 2.289 3.904 0.2787 0.1189 -0.0405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1847 123TRP HE1 1845 3.327 2.277 3.939 0.2777 0.4802 0.0889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1848 123TRP CE2 1846 3.462 2.261 3.776 0.3399 0.0353 -0.0022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1849 123TRP CE3 1847 3.671 2.267 3.651 0.3556 0.0628 -0.3954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1850 123TRP HE3 1848 3.776 2.291 3.653 0.4665 -0.2732 -1.4111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1851 123TRP CZ2 1849 3.394 2.217 3.662 -0.1148 0.8927 -0.0667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1852 123TRP HZ2 1850 3.288 2.196 3.655 0.3119 -2.3650 1.2078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1853 123TRP CZ3 1851 3.601 2.229 3.536 -0.8927 0.6967 0.1312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1854 123TRP HZ3 1852 3.644 2.215 3.438 -2.7912 -2.9137 -0.3892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1855 123TRP CH2 1853 3.464 2.199 3.542 -0.8025 0.1520 -0.3717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1856 123TRP HH2 1854 3.421 2.168 3.448 -0.8676 0.1743 -0.3488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1857 123TRP C 1855 3.989 2.172 3.986 0.0980 0.2998 -0.2812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1858 123TRP O 1856 4.059 2.202 3.889 0.5675 -0.5488 -0.2151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1859 124ILE N 1857 4.039 2.127 4.101 -0.4357 -0.0947 -0.2012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1860 124ILE H 1858 3.977 2.096 4.175 1.4032 -1.4142 0.8544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1861 124ILE CA 1859 4.179 2.122 4.137 -0.4987 -0.2506 0.0261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1862 124ILE HA 1860 4.241 2.155 4.054 -0.1343 0.6010 0.6200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1863 124ILE CB 1861 4.215 2.219 4.250 -0.3038 0.0724 -0.3116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1864 124ILE HB 1862 4.324 2.221 4.258 -0.3897 0.5722 0.9730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1865 124ILE CG1 1863 4.168 2.177 4.389 -0.1374 0.2222 -0.2094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1866 124ILE HG11 1864 4.060 2.187 4.394 -0.1456 -0.1740 0.7601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1867 124ILE HG12 1865 4.200 2.076 4.415 0.3490 0.0196 -1.5260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1868 124ILE CG2 1866 4.174 2.364 4.226 0.2678 0.2528 -0.2206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1869 124ILE HG21 1867 4.240 2.429 4.283 0.4871 -2.0328 2.3314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1870 124ILE HG22 1868 4.210 2.399 4.129 -0.1130 0.1446 -0.4049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1871 124ILE HG23 1869 4.069 2.387 4.247 -0.0231 -0.6368 -0.6592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1872 124ILE CD 1870 4.223 2.271 4.497 -0.2426 0.1299 -0.0749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1873 124ILE HD1 1871 4.219 2.232 4.599 -0.1073 0.5017 0.0720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1874 124ILE HD2 1872 4.328 2.298 4.486 -0.3201 0.2003 -0.6708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1875 124ILE HD3 1873 4.172 2.366 4.511 0.0117 0.2058 0.3332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1876 124ILE C 1874 4.242 1.985 4.157 0.0967 0.0577 0.2912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1877 124ILE O 1875 4.363 1.975 4.178 0.2437 0.3982 -0.3651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1878 125ARG N 1876 4.169 1.874 4.146 0.1320 0.1172 -0.5887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1879 125ARG H 1877 4.072 1.879 4.119 -0.6347 -0.7193 1.7928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1880 125ARG CA 1878 4.226 1.741 4.150 0.1042 0.1070 -0.5404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1881 125ARG HA 1879 4.297 1.748 4.233 0.1546 0.6770 -0.6328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1882 125ARG CB 1880 4.119 1.636 4.183 0.4555 -0.1737 -0.2731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1883 125ARG HB1 1881 4.059 1.624 4.092 -0.4662 -0.9940 0.4308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1884 125ARG HB2 1882 4.167 1.541 4.203 0.5738 0.0565 0.5568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1885 125ARG CG 1883 4.024 1.682 4.294 0.1252 -0.1530 -0.5625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1886 125ARG HG1 1884 4.084 1.726 4.373 -1.5599 2.6906 -0.7264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1887 125ARG HG2 1885 3.970 1.769 4.258 0.3092 -0.1501 -0.8342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1888 125ARG CD 1886 3.932 1.571 4.344 0.4841 -0.0634 0.3191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1889 125ARG HD1 1887 3.867 1.549 4.259 1.1344 -0.5983 -0.0428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1890 125ARG HD2 1888 3.990 1.482 4.367 2.1182 1.1880 1.2009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1891 125ARG NE 1889 3.868 1.612 4.469 -0.0973 -0.1480 0.0535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1892 125ARG HE 1890 3.927 1.614 4.551 0.0585 -1.6837 0.0137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1893 125ARG CZ 1891 3.739 1.647 4.471 -0.0728 -0.0456 -0.1452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1894 125ARG NH1 1892 3.647 1.607 4.381 0.0526 0.2479 -0.4090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1895 125ARG HH11 1893 3.670 1.532 4.318 -0.4287 1.5541 -2.2112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1896 125ARG HH12 1894 3.552 1.636 4.396 0.3695 0.8576 0.5290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1897 125ARG NH2 1895 3.696 1.711 4.581 -0.5378 -0.4409 -0.0929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1898 125ARG HH21 1896 3.749 1.692 4.665 2.6455 -0.0404 -1.8312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1899 125ARG HH22 1897 3.601 1.740 4.594 0.4620 2.0942 2.5917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1900 125ARG C 1898 4.298 1.712 4.019 0.4391 0.2777 -0.3934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1901 125ARG O 1899 4.251 1.758 3.915 -0.3935 0.3922 0.0242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1902 126GLY N 1900 4.419 1.659 4.036 0.0575 -0.1707 1.0517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1903 126GLY H 1901 4.456 1.647 4.130 -1.5707 -1.4739 1.5677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1904 126GLY CA 1902 4.504 1.629 3.922 -0.1576 0.6063 0.6821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1905 126GLY HA1 1903 4.520 1.523 3.942 -1.9178 0.0155 -0.7568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1906 126GLY HA2 1904 4.450 1.627 3.827 0.3983 0.0789 0.3740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1907 126GLY C 1905 4.625 1.721 3.908 0.3056 -0.0925 0.0262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1908 126GLY O 1906 4.734 1.676 3.875 0.2135 -0.2853 -0.0204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1909 127CYS N 1907 4.600 1.849 3.938 -0.2422 -0.1862 -0.0112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1910 127CYS H 1908 4.506 1.870 3.968 -1.1071 -2.1202 -1.1244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1911 127CYS CA 1909 4.692 1.959 3.916 0.0443 -0.3710 0.2598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1912 127CYS HA 1910 4.740 1.941 3.820 -0.8451 -0.2902 -0.2064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1913 127CYS CB 1911 4.610 2.087 3.926 0.2518 -0.2031 -0.1845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1914 127CYS HB1 1912 4.587 2.113 4.029 1.0422 -0.8368 0.1605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1915 127CYS HB2 1913 4.672 2.171 3.894 1.6098 -1.2676 -0.4613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1916 127CYS SG 1914 4.458 2.089 3.827 0.0195 -0.5136 0.1654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1917 127CYS C 1915 4.798 1.957 4.025 0.2857 0.5787 0.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1918 127CYS O 1916 4.764 1.948 4.143 -0.1195 -0.0997 -0.1223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1919 128ARG N 1917 4.922 1.993 3.989 0.2632 0.3308 -0.2766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1920 128ARG H 1918 4.933 2.010 3.890 0.1086 1.6557 -0.0827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1921 128ARG CA 1919 5.025 2.031 4.083 0.1852 -0.0601 -0.0273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1922 128ARG HA 1920 5.012 1.989 4.182 -1.0007 1.4309 0.4886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1923 128ARG CB 1921 5.164 1.997 4.028 0.2518 0.1043 0.0352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1924 128ARG HB1 1922 5.167 2.011 3.920 -3.4505 0.4726 -0.1748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1925 128ARG HB2 1923 5.231 2.069 4.073 1.0384 -0.2171 -0.5958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1926 128ARG CG 1924 5.210 1.854 4.056 -0.3077 -0.0849 0.0142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1927 128ARG HG1 1925 5.130 1.784 4.032 1.1560 -1.9482 0.2769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1928 128ARG HG2 1926 5.293 1.831 3.989 -0.1616 -0.8801 0.4514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1929 128ARG CD 1927 5.253 1.827 4.200 0.3112 0.0271 -0.1465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1930 128ARG HD1 1928 5.185 1.875 4.270 -1.2539 -2.2832 0.0265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1931 128ARG HD2 1929 5.238 1.720 4.214 0.0405 0.2998 1.9611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1932 128ARG NE 1930 5.393 1.863 4.225 0.3765 0.0896 -0.5980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1933 128ARG HE 1931 5.453 1.789 4.193 -0.8746 -1.4780 0.5058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1934 128ARG CZ 1932 5.448 1.977 4.269 0.2715 -0.2199 0.3616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1935 128ARG NH1 1933 5.367 2.077 4.304 0.1433 -0.3546 0.4520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1936 128ARG HH11 1934 5.275 2.044 4.330 0.6671 -3.2378 -0.9396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1937 128ARG HH12 1935 5.392 2.174 4.322 -2.5759 0.7030 -0.8530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1938 128ARG NH2 1936 5.581 1.991 4.268 0.2488 0.0177 0.6293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1939 128ARG HH21 1937 5.644 1.912 4.264 0.7844 0.4568 0.1735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1940 128ARG HH22 1938 5.636 2.075 4.283 -0.1859 0.9217 -2.1717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1941 128ARG C 1939 5.019 2.182 4.099 -0.5848 -0.1075 0.1575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1942 128ARG O 1940 5.042 2.258 4.005 0.1817 -0.4046 0.1008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1943 129LEU N 1941 4.984 2.229 4.219 0.0029 0.1147 0.2455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1944 129LEU H 1942 4.971 2.171 4.300 0.5346 -2.0419 -1.1392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1945 129LEU CA 1943 4.982 2.368 4.260 -0.4608 0.0097 0.5932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1946 129LEU HA 1944 5.009 2.436 4.179 -2.1643 -1.0054 -0.9037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1947 129LEU CB 1945 4.845 2.402 4.319 -0.1691 0.2220 1.1564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1948 129LEU HB1 1946 4.843 2.357 4.418 -1.2141 -0.3943 0.8748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1949 129LEU HB2 1947 4.842 2.510 4.328 -1.6601 0.2451 0.6952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1950 129LEU CG 1948 4.718 2.365 4.242 0.6060 -0.2634 0.0815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1951 129LEU HG 1949 4.650 2.443 4.276 2.3284 0.7979 1.2628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1952 129LEU CD1 1950 4.720 2.385 4.090 0.4038 0.1175 0.1277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1953 129LEU HD11 1951 4.625 2.348 4.050 -0.5293 0.8525 1.5500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1954 129LEU HD12 1952 4.725 2.492 4.074 -0.7857 0.4203 1.5002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1955 129LEU HD13 1953 4.790 2.322 4.036 -1.2089 -0.0095 -1.9463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1956 129LEU CD2 1954 4.663 2.234 4.298 0.6822 -0.0176 0.7365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1957 129LEU HD21 1955 4.577 2.204 4.238 -0.1295 1.2265 1.2175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1958 129LEU HD22 1956 4.732 2.154 4.274 2.5384 1.7436 -0.0704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1959 129LEU HD23 1957 4.618 2.238 4.398 -2.8880 0.3356 -0.7147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1960 129LEU C 1958 5.096 2.388 4.359 0.1496 0.1780 -0.1283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1961 129LEU O1 1959 5.143 2.501 4.382 -0.0219 0.0689 0.7889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1962 129LEU O2 1960 5.145 2.287 4.414 -0.7911 -0.2701 -0.0917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1963 130SOL OW 1961 3.196 5.390 2.844 -0.0309 0.1551 0.8934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1964 130SOL HW1 1962 3.273 5.428 2.896 0.9930 1.2617 -1.3142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1965 130SOL HW2 1963 3.128 5.462 2.829 0.5546 0.3922 -0.8271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1966 131SOL OW 1964 4.041 3.740 3.021 0.1693 -0.7473 0.0815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1967 131SOL HW1 1965 4.137 3.729 3.048 0.5054 0.6384 -0.4756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1968 131SOL HW2 1966 4.035 3.803 2.944 -1.1358 -1.4666 -0.4328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1969 132SOL OW 1967 3.956 2.457 4.639 -0.2525 -0.5977 0.1860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1970 132SOL HW1 1968 3.866 2.446 4.681 0.0091 -0.7809 0.6974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1971 132SOL HW2 1969 4.027 2.451 4.709 0.1400 -0.0631 -0.1560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1972 133SOL OW 1970 3.144 5.654 2.713 0.1938 -0.2493 0.0715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1973 133SOL HW1 1971 3.126 5.593 2.636 -0.7971 0.5431 -0.3545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1974 133SOL HW2 1972 3.062 5.708 2.733 1.0002 0.8691 0.4812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1975 134SOL OW 1973 3.802 3.858 3.270 0.1284 0.1340 0.3908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1976 134SOL HW1 1974 3.899 3.846 3.292 0.7981 -0.6192 -2.5057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1977 134SOL HW2 1975 3.792 3.927 3.198 -1.7206 1.5228 1.8796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1978 135SOL OW 1976 3.877 4.906 2.654 -0.1682 0.1366 -0.1278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1979 135SOL HW1 1977 3.878 5.006 2.650 -1.7013 0.2449 1.0323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1980 135SOL HW2 1978 3.813 4.870 2.587 -0.9166 0.0532 0.6148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1981 136SOL OW 1979 3.019 4.703 2.389 -0.6115 -0.0975 0.0591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1982 136SOL HW1 1980 3.094 4.744 2.440 -0.8089 0.0830 0.2040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1983 136SOL HW2 1981 2.988 4.620 2.435 0.0597 -0.6478 -0.4492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1984 137SOL OW 1982 5.024 2.874 3.501 0.1411 0.5603 0.1233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1985 137SOL HW1 1983 4.926 2.859 3.487 -0.3528 3.2702 0.1008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1986 137SOL HW2 1984 5.075 2.836 3.424 -0.8624 -0.9952 0.1993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1987 138SOL OW 1985 4.353 4.041 3.195 -0.0348 0.1414 0.6993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1988 138SOL HW1 1986 4.450 4.016 3.197 -0.3920 -1.3576 0.8379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1989 138SOL HW2 1987 4.331 4.079 3.105 0.2832 -1.4228 -0.0957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1990 139SOL OW 1988 3.427 2.792 4.932 -0.1625 -0.4341 0.1286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1991 139SOL HW1 1989 3.511 2.805 4.985 0.8025 0.9719 -1.6320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1992 139SOL HW2 1990 3.353 2.844 4.974 0.9039 1.7508 -0.5627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1993 140SOL OW 1991 3.979 2.231 2.927 0.4061 -0.8347 0.1439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1994 140SOL HW1 1992 4.022 2.308 2.879 0.9976 -0.5063 1.1554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1995 140SOL HW2 1993 3.970 2.153 2.865 -0.9834 0.3027 -1.1595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1996 141SOL OW 1994 3.181 5.085 3.393 0.0914 -0.1218 -0.1611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1997 141SOL HW1 1995 3.232 5.073 3.308 0.5856 0.8623 -0.0232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1998 141SOL HW2 1996 3.122 5.006 3.409 0.9805 -0.9158 -0.7385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
1999 142SOL OW 1997 2.909 5.596 2.574 -0.1724 0.0542 0.2260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2000 142SOL HW1 1998 2.960 5.605 2.488 -0.5712 1.6533 0.1109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2001 142SOL HW2 1999 2.820 5.555 2.556 -0.5425 1.0354 -0.2741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2002 143SOL OW 2000 4.309 3.732 3.079 0.3426 0.3793 -0.2319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2003 143SOL HW1 2001 4.335 3.801 3.147 2.1850 1.8214 -2.2717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2004 143SOL HW2 2002 4.363 3.745 2.996 0.5507 -3.3884 -0.8513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2005 144SOL OW 2003 2.477 4.520 3.277 0.4118 -0.0076 -0.0130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2006 144SOL HW1 2004 2.573 4.502 3.257 0.1801 -0.9310 -0.3370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2007 144SOL HW2 2005 2.435 4.564 3.197 0.8507 1.5984 0.5906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2008 145SOL OW 2006 3.031 4.163 4.588 0.1288 -0.4381 0.0660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2009 145SOL HW1 2007 2.954 4.215 4.549 0.7622 1.2266 0.9146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2010 145SOL HW2 2008 3.103 4.155 4.519 0.4348 0.7546 0.2135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2011 146SOL OW 2009 5.275 2.491 3.604 -0.0679 0.2701 -0.4137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2012 146SOL HW1 2010 5.366 2.452 3.589 -0.1604 0.0182 -0.3282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2013 146SOL HW2 2011 5.229 2.442 3.678 -1.6054 -1.9457 -2.6376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2014 147SOL OW 2012 4.179 4.668 3.959 -0.4319 -0.6406 -0.0090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2015 147SOL HW1 2013 4.270 4.710 3.953 -0.7804 -0.0201 -1.1320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2016 147SOL HW2 2014 4.177 4.584 3.905 -0.3164 -1.0883 0.6565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2017 148SOL OW 2015 6.041 1.902 4.435 0.0985 0.3467 -0.2680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2018 148SOL HW1 2016 6.007 1.823 4.485 -1.2510 0.4263 -1.0128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2019 148SOL HW2 2017 6.057 1.977 4.499 -0.2131 -0.0000 0.2248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2020 149SOL OW 2018 2.299 4.550 2.275 0.0418 -0.5676 0.4109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2021 149SOL HW1 2019 2.297 4.536 2.374 1.9716 -0.6534 0.4877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2022 149SOL HW2 2020 2.266 4.468 2.229 -3.0388 0.2503 0.9339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2023 150SOL OW 2021 3.175 2.300 4.034 -0.6197 0.0678 -0.8157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2024 150SOL HW1 2022 3.144 2.256 4.118 -0.7193 0.9793 -0.3667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2025 150SOL HW2 2023 3.107 2.367 4.003 0.6806 1.8440 -0.0007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2026 151SOL OW 2024 2.562 2.962 3.380 -0.1172 0.1649 0.2046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2027 151SOL HW1 2025 2.464 2.975 3.392 -0.0849 0.0254 0.6147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2028 151SOL HW2 2026 2.608 3.051 3.390 -0.1684 0.1768 0.3357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2029 152SOL OW 2027 1.963 3.447 3.901 -0.4387 0.0915 -0.0448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2030 152SOL HW1 2028 1.886 3.465 3.841 -0.9321 -0.7865 0.3120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2031 152SOL HW2 2029 1.936 3.465 3.996 -0.2335 -0.2847 0.0879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2032 153SOL OW 2030 2.265 5.088 2.984 -0.0255 0.7429 -0.1851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2033 153SOL HW1 2031 2.243 5.055 2.892 -1.4891 2.1202 -0.3607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2034 153SOL HW2 2032 2.349 5.141 2.981 0.8032 -0.5241 -0.4043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2035 154SOL OW 2033 1.961 3.531 4.165 0.0638 0.2208 0.0121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2036 154SOL HW1 2034 2.030 3.604 4.166 -0.4074 0.7193 -1.2852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2037 154SOL HW2 2035 1.875 3.566 4.202 0.8863 -0.8824 3.2471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2038 155SOL OW 2036 5.251 2.849 3.957 0.2776 0.0370 0.3227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2039 155SOL HW1 2037 5.294 2.905 4.028 -0.5681 -0.0771 0.9435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2040 155SOL HW2 2038 5.247 2.754 3.988 0.0942 -0.0505 0.0351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2041 156SOL OW 2039 4.114 2.440 2.807 0.0930 0.0789 0.3446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2042 156SOL HW1 2040 4.148 2.509 2.870 1.9662 -0.7748 0.3457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2043 156SOL HW2 2041 4.191 2.398 2.759 -1.1429 -0.6495 -1.0937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2044 157SOL OW 2042 4.545 3.030 5.213 -0.4550 0.1658 0.4767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2045 157SOL HW1 2043 4.532 2.953 5.275 -0.7281 1.3433 1.9162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2046 157SOL HW2 2044 4.530 3.116 5.261 -2.6857 1.1064 -1.6571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2047 158SOL OW 2045 4.765 4.345 3.344 -0.5991 0.0688 0.0080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2048 158SOL HW1 2046 4.850 4.399 3.338 -1.3499 1.2898 0.0902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2049 158SOL HW2 2047 4.746 4.305 3.254 0.5564 -1.0289 0.2145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2050 159SOL OW 2048 3.918 5.301 2.872 0.1850 0.0902 -0.3865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2051 159SOL HW1 2049 4.001 5.358 2.871 0.0205 0.3315 -1.4181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2052 159SOL HW2 2050 3.916 5.245 2.789 0.0948 -1.0720 0.3878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2053 160SOL OW 2051 3.334 5.517 3.183 0.6786 -0.0719 0.3777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2054 160SOL HW1 2052 3.385 5.522 3.097 1.9854 -0.5768 1.0908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2055 160SOL HW2 2053 3.274 5.437 3.182 -1.3328 1.3666 -1.0808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2056 161SOL OW 2054 4.255 4.546 3.710 -0.7668 0.3211 -0.6540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2057 161SOL HW1 2055 4.345 4.579 3.681 -0.3152 -1.1297 -0.9974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2058 161SOL HW2 2056 4.227 4.469 3.652 -0.5341 -1.6716 1.6962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2059 162SOL OW 2057 3.946 5.175 2.607 -0.3395 -0.3080 -0.0703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2060 162SOL HW1 2058 4.038 5.136 2.595 1.1892 2.2038 2.2364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2061 162SOL HW2 2059 3.926 5.238 2.532 -0.4733 -1.3124 -0.8976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2062 163SOL OW 2060 3.215 1.990 4.110 -0.4263 -0.3141 0.4223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2063 163SOL HW1 2061 3.277 1.972 4.186 0.2850 -0.6749 -0.2287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2064 163SOL HW2 2062 3.149 1.916 4.102 -0.2317 -0.4880 0.4264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2065 164SOL OW 2063 3.947 5.338 3.139 -0.0589 0.3339 -0.0685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2066 164SOL HW1 2064 3.933 5.308 3.045 1.6391 0.8127 -0.5045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2067 164SOL HW2 2065 4.045 5.348 3.157 -0.4019 1.4690 1.3634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2068 165SOL OW 2066 3.316 4.251 2.158 0.7263 -0.6739 -0.1034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2069 165SOL HW1 2067 3.339 4.201 2.075 0.2449 -1.3492 0.1661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2070 165SOL HW2 2068 3.217 4.245 2.175 0.6648 0.3061 -0.0271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2071 166SOL OW 2069 4.631 3.193 4.698 0.0305 -0.0064 0.1585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2072 166SOL HW1 2070 4.660 3.117 4.756 -0.8439 -0.0762 0.5237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2073 166SOL HW2 2071 4.578 3.258 4.752 0.0316 0.4231 -0.3481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2074 167SOL OW 2072 5.218 2.661 4.169 0.4392 -0.2146 -0.0401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2075 167SOL HW1 2073 5.208 2.590 4.239 0.0832 -0.2428 -0.1185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2076 167SOL HW2 2074 5.195 2.750 4.208 1.1122 -0.1050 0.1231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2077 168SOL OW 2075 3.212 5.109 2.892 0.2644 -0.1890 -0.2558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2078 168SOL HW1 2076 3.182 5.203 2.879 -1.3307 -0.5738 0.3686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2079 168SOL HW2 2077 3.191 5.055 2.811 0.3459 -0.2074 -0.2651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2080 169SOL OW 2078 3.174 4.077 4.962 -0.2540 -0.1366 -0.2021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2081 169SOL HW1 2079 3.210 4.164 4.998 -0.6078 -0.5171 1.1458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2082 169SOL HW2 2080 3.244 4.033 4.906 0.4141 0.4053 0.1816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2083 170SOL OW 2081 3.989 2.036 3.135 -0.0032 -0.3161 -0.1989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2084 170SOL HW1 2082 4.003 2.109 3.068 -0.2144 1.3866 1.5124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2085 170SOL HW2 2083 3.900 2.048 3.179 -0.9300 -2.7896 -1.1923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2086 171SOL OW 2084 5.315 2.515 3.927 0.8574 -0.7658 0.3491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2087 171SOL HW1 2085 5.282 2.560 4.010 0.6364 -0.6391 0.1936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2088 171SOL HW2 2086 5.259 2.433 3.909 -0.7946 0.5888 -1.0817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2089 172SOL OW 2087 4.579 2.928 2.361 0.2126 -0.3207 -0.3571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2090 172SOL HW1 2088 4.614 2.872 2.435 -1.7430 -0.7758 0.2719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2091 172SOL HW2 2089 4.525 2.872 2.298 0.6719 0.3193 -1.3558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2092 173SOL OW 2090 4.444 3.652 2.475 0.7214 0.3071 -0.5037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2093 173SOL HW1 2091 4.543 3.639 2.473 1.1114 2.6782 -0.0121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2094 173SOL HW2 2092 4.423 3.749 2.464 -1.4900 0.0294 0.6051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2095 174SOL OW 2093 4.765 4.262 3.087 0.5257 -0.2344 0.1065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2096 174SOL HW1 2094 4.862 4.276 3.069 0.6604 -0.9481 0.2622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2097 174SOL HW2 2095 4.735 4.176 3.046 0.1438 -0.4082 0.7368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2098 175SOL OW 2096 4.430 1.834 4.437 0.1353 0.3796 -0.3669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2099 175SOL HW1 2097 4.414 1.930 4.416 1.2232 0.7475 0.3981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2100 175SOL HW2 2098 4.510 1.801 4.386 0.4979 0.2282 0.2931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2101 176SOL OW 2099 1.959 4.929 2.600 -0.0844 -0.3855 -0.0724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2102 176SOL HW1 2100 1.952 4.923 2.699 4.8455 1.1458 0.6498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2103 176SOL HW2 2101 2.010 4.850 2.565 -1.1594 -0.5514 -1.3541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2104 177SOL OW 2102 4.913 3.571 3.404 0.2129 -0.5862 -0.7593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2105 177SOL HW1 2103 4.927 3.669 3.401 -0.5175 -0.4727 -0.6809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2106 177SOL HW2 2104 4.938 3.536 3.495 -1.8428 -0.0712 0.0753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2107 178SOL OW 2105 2.985 4.018 3.493 0.1865 -0.6428 -0.1114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2108 178SOL HW1 2106 3.043 3.995 3.414 -0.7833 -0.8292 -0.7864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2109 178SOL HW2 2107 2.891 3.992 3.473 -0.8084 2.7414 -0.4242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2110 179SOL OW 2108 3.081 2.679 4.664 0.3136 -0.0753 0.0579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2111 179SOL HW1 2109 3.134 2.618 4.723 0.8545 0.2637 -0.0635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2112 179SOL HW2 2110 3.144 2.736 4.611 -0.1783 0.3442 -0.0815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2113 180SOL OW 2111 4.910 2.068 3.714 -1.0054 -0.1541 -0.3482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2114 180SOL HW1 2112 4.931 2.159 3.677 -3.7769 0.6153 -0.2678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2115 180SOL HW2 2113 4.872 2.011 3.641 0.7642 -1.3325 -0.4093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2116 181SOL OW 2114 1.939 2.694 3.961 0.1583 -0.4552 -0.1373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2117 181SOL HW1 2115 1.863 2.643 4.002 0.1618 0.3212 0.8688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2118 181SOL HW2 2116 2.021 2.682 4.017 0.7127 -1.0062 -1.0312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2119 182SOL OW 2117 2.669 4.123 3.614 0.0758 0.1035 -0.0049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2120 182SOL HW1 2118 2.661 4.024 3.631 1.1667 -0.3485 -1.8707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2121 182SOL HW2 2119 2.649 4.142 3.518 1.5340 1.4691 -0.0691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2122 183SOL OW 2120 3.006 2.729 2.713 0.1593 -0.0434 -0.0488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2123 183SOL HW1 2121 3.056 2.787 2.778 -1.9121 0.8387 0.8448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2124 183SOL HW2 2122 2.950 2.787 2.653 0.3726 -0.9815 -1.1937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2125 184SOL OW 2123 3.303 4.283 5.095 0.3719 0.2604 -0.4525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2126 184SOL HW1 2124 3.252 4.299 5.179 0.4286 0.6776 -0.4955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2127 184SOL HW2 2125 3.336 4.370 5.058 2.9706 -0.1324 0.7294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2128 185SOL OW 2126 3.117 4.901 4.391 -0.1743 0.3265 0.8349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2129 185SOL HW1 2127 3.089 4.824 4.448 0.0134 -0.6442 -0.3579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2130 185SOL HW2 2128 3.051 4.914 4.317 0.5081 0.4462 0.2356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2131 186SOL OW 2129 4.366 4.414 4.304 -0.5759 -0.4693 0.9441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2132 186SOL HW1 2130 4.372 4.493 4.365 0.1626 1.6027 -1.6190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2133 186SOL HW2 2131 4.277 4.415 4.258 -0.6594 -1.2906 1.0882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2134 187SOL OW 2132 2.927 3.713 3.429 0.4608 -0.2725 0.4225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2135 187SOL HW1 2133 2.940 3.615 3.440 -0.0368 -0.4167 -0.2525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2136 187SOL HW2 2134 3.002 3.752 3.375 -0.4871 -0.6681 -1.2391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2137 188SOL OW 2135 2.255 2.928 4.338 0.3104 0.0234 -0.3182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2138 188SOL HW1 2136 2.340 2.895 4.298 -0.6740 -1.3391 -1.4032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2139 188SOL HW2 2137 2.185 2.936 4.267 -0.6003 0.6796 0.6119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2140 189SOL OW 2138 3.025 4.206 2.163 0.3151 -0.0405 0.4605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2141 189SOL HW1 2139 2.995 4.299 2.183 0.6571 -0.1602 1.6020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2142 189SOL HW2 2140 2.962 4.164 2.098 0.5822 1.2326 -0.6531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2143 190SOL OW 2141 2.472 4.902 2.202 0.0541 0.1538 0.1623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2144 190SOL HW1 2142 2.453 4.999 2.211 2.2181 0.7362 -0.9900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2145 190SOL HW2 2143 2.398 4.858 2.150 -1.7887 0.7822 2.0980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2146 191SOL OW 2144 2.475 2.596 4.218 0.0558 -0.1976 -0.0836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2147 191SOL HW1 2145 2.498 2.592 4.315 2.3534 0.8577 -0.5070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2148 191SOL HW2 2146 2.439 2.686 4.195 -0.5950 -0.4830 -0.1963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2149 192SOL OW 2147 2.481 5.919 2.783 -0.6514 -0.6665 0.2790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2150 192SOL HW1 2148 2.440 5.975 2.855 0.4211 1.0128 -0.3451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2151 192SOL HW2 2149 2.431 5.833 2.775 -1.9884 -0.0746 1.7072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2152 193SOL OW 2150 2.575 4.191 3.287 0.6795 0.2490 0.9420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2153 193SOL HW1 2151 2.645 4.119 3.299 3.6460 2.7354 -0.0428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2154 193SOL HW2 2152 2.593 4.240 3.202 -1.8978 1.5568 1.0651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2155 194SOL OW 2153 3.654 5.623 3.309 -0.2277 -0.4651 0.1258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2156 194SOL HW1 2154 3.555 5.635 3.298 -0.6245 -0.5677 2.8692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2157 194SOL HW2 2155 3.697 5.711 3.326 -0.6664 -0.7963 3.7270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2158 195SOL OW 2156 3.837 2.502 2.692 0.2231 0.1166 -0.0111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2159 195SOL HW1 2157 3.780 2.582 2.713 0.1380 0.1243 -0.2702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2160 195SOL HW2 2158 3.931 2.520 2.719 -0.0059 -0.1318 1.0212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2161 196SOL OW 2159 3.058 5.659 3.990 -0.4313 0.1717 -0.1322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2162 196SOL HW1 2160 3.076 5.674 3.893 -0.3128 0.2616 -0.0957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2163 196SOL HW2 2161 3.135 5.692 4.045 0.2933 -1.4612 -0.1112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2164 197SOL OW 2162 4.942 3.304 2.994 -0.4055 -0.3646 -0.4036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2165 197SOL HW1 2163 4.982 3.310 3.085 -2.7361 -0.0841 0.6805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2166 197SOL HW2 2164 4.881 3.382 2.979 -2.0865 -1.7549 -1.1188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2167 198SOL OW 2165 2.120 4.255 3.015 -0.3326 -0.8334 -0.1277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2168 198SOL HW1 2166 2.118 4.299 3.106 0.1656 -1.2933 0.1066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2169 198SOL HW2 2167 2.036 4.278 2.966 -0.3657 -0.1311 0.2374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2170 199SOL OW 2168 2.688 2.319 3.220 -0.1021 0.9641 0.2067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2171 199SOL HW1 2169 2.589 2.309 3.222 -0.1017 0.5511 -1.0729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2172 199SOL HW2 2170 2.731 2.232 3.241 -0.0434 0.6025 -1.3006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2173 200SOL OW 2171 3.509 4.950 2.174 0.0493 0.5562 -0.0703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2174 200SOL HW1 2172 3.473 4.966 2.266 2.3191 0.2475 0.9425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2175 200SOL HW2 2173 3.566 5.027 2.146 2.6146 -1.0173 0.5147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2176 201SOL OW 2174 3.252 4.820 4.682 -0.3056 -0.5770 -0.0495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2177 201SOL HW1 2175 3.245 4.918 4.698 -1.4127 -0.6557 0.0398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2178 201SOL HW2 2176 3.161 4.782 4.665 0.0030 -1.7132 0.6727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2179 202SOL OW 2177 3.191 3.762 5.275 -0.0262 0.0807 0.1002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2180 202SOL HW1 2178 3.145 3.797 5.193 -0.4415 0.6480 0.5578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2181 202SOL HW2 2179 3.261 3.696 5.250 0.4311 0.8839 -0.7717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2182 203SOL OW 2180 2.076 3.340 4.322 0.4662 0.7654 0.5676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2183 203SOL HW1 2181 2.038 3.364 4.232 2.7854 -2.4679 -1.5211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2184 203SOL HW2 2182 2.136 3.413 4.353 0.4697 1.5206 -1.1082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2185 204SOL OW 2183 2.725 3.353 3.267 -0.2921 -0.2640 1.0174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2186 204SOL HW1 2184 2.698 3.400 3.351 0.9592 0.7833 0.8539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2187 204SOL HW2 2185 2.820 3.374 3.245 -1.1229 1.2185 -1.7649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2188 205SOL OW 2186 3.728 4.773 2.482 -0.1766 -0.0500 -0.1952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2189 205SOL HW1 2187 3.697 4.679 2.479 -0.1197 -0.1721 2.0389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2190 205SOL HW2 2188 3.768 4.797 2.393 0.9602 -2.5113 -0.4387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2191 206SOL OW 2189 4.491 2.201 4.757 0.0234 -0.1017 0.3880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2192 206SOL HW1 2190 4.421 2.130 4.764 -0.9738 0.9179 1.3385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2193 206SOL HW2 2191 4.504 2.244 4.847 1.4965 0.0927 0.1090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2194 207SOL OW 2192 5.089 3.811 4.371 0.0243 -0.4146 0.7699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2195 207SOL HW1 2193 5.146 3.815 4.453 -1.1566 -0.7144 1.6412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2196 207SOL HW2 2194 5.059 3.717 4.356 2.5870 -0.9488 -1.7334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2197 208SOL OW 2195 0.314 0.395 7.131 -0.2256 -0.2712 -0.0065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2198 208SOL HW1 2196 0.237 0.402 7.195 -0.1171 -0.5158 0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2199 208SOL HW2 2197 0.391 0.352 7.177 -0.3525 -1.0347 -0.4875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2200 209SOL OW 2198 0.031 0.041 1.188 -0.0824 -0.5530 -0.3812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2201 209SOL HW1 2199 0.100 0.080 1.248 -0.6544 0.9165 -0.6310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2202 209SOL HW2 2200 0.075 -0.007 1.113 0.7124 0.8083 -0.8293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2203 210SOL OW 2201 7.047 0.572 0.597 0.3148 -0.4787 -0.2356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2204 210SOL HW1 2202 6.956 0.564 0.558 -0.6941 0.1980 1.8635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2205 210SOL HW2 2203 7.053 0.519 0.681 1.2674 0.8862 0.6122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2206 211SOL OW 2204 0.558 1.192 1.073 0.3635 -0.0180 0.1764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2207 211SOL HW1 2205 0.477 1.209 1.017 0.0651 -1.9360 -0.0746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2208 211SOL HW2 2206 0.558 1.254 1.152 -0.3244 1.2928 -0.8155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2209 212SOL OW 2207 1.551 1.553 0.662 0.1304 0.0249 0.1470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2210 212SOL HW1 2208 1.522 1.478 0.722 2.4036 -0.0976 1.2026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2211 212SOL HW2 2209 1.497 1.634 0.682 -0.8361 -0.6956 0.5890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2212 213SOL OW 2210 1.079 0.593 0.625 -0.3860 0.5585 0.1453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2213 213SOL HW1 2211 1.171 0.602 0.665 0.2213 0.4352 -1.1677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2214 213SOL HW2 2212 1.015 0.563 0.696 1.0403 -1.6161 0.6270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2215 214SOL OW 2213 1.855 0.402 0.065 -0.1496 0.1852 0.1448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2216 214SOL HW1 2214 1.810 0.483 0.028 -1.3333 -1.0625 -1.2922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2217 214SOL HW2 2215 1.790 0.349 0.119 0.3526 -0.2824 0.2976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2218 215SOL OW 2216 0.824 1.285 1.005 -0.1081 -0.0759 -0.2355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2219 215SOL HW1 2217 0.748 1.251 1.060 -0.4901 1.6657 0.3832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2220 215SOL HW2 2218 0.803 1.275 0.908 -0.5491 -0.8050 -0.0696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2221 216SOL OW 2219 0.849 0.808 1.893 -0.1323 0.3182 -0.1911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2222 216SOL HW1 2220 0.753 0.832 1.905 -0.1701 -0.1459 0.5302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2223 216SOL HW2 2221 0.871 0.805 1.796 -1.0111 -0.2045 -0.3864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2224 217SOL OW 2222 0.721 0.781 0.625 0.3936 0.6249 -0.3877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2225 217SOL HW1 2223 0.728 0.752 0.720 0.9439 -1.6694 -1.0672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2226 217SOL HW2 2224 0.656 0.857 0.618 -0.1364 0.4195 1.7140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2227 218SOL OW 2225 0.730 1.292 1.890 -0.5628 -0.1591 -0.8044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2228 218SOL HW1 2226 0.817 1.340 1.898 -1.2057 0.8417 0.5542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2229 218SOL HW2 2227 0.696 1.300 1.797 0.7333 -0.4705 -1.3239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2230 219SOL OW 2228 0.531 1.473 0.994 -0.0404 0.1311 -0.1910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2231 219SOL HW1 2229 0.486 1.476 0.905 1.7684 0.0822 -1.1495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2232 219SOL HW2 2230 0.610 1.535 0.994 0.0929 0.0105 1.3217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2233 220SOL OW 2231 1.480 1.616 1.380 0.4237 0.4996 -0.1195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2234 220SOL HW1 2232 1.562 1.656 1.340 0.3521 -0.3979 -1.2225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2235 220SOL HW2 2233 1.442 1.678 1.449 1.3605 1.4452 -0.4327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2236 221SOL OW 2234 0.238 0.258 1.802 -0.9251 -0.3096 -0.2499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2237 221SOL HW1 2235 0.287 0.218 1.880 1.9254 -0.1875 -1.8547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2238 221SOL HW2 2236 0.215 0.185 1.737 -1.1188 -0.0842 -0.4342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2239 222SOL OW 2237 1.311 0.589 0.767 0.4385 0.0078 -0.5618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2240 222SOL HW1 2238 1.389 0.528 0.752 0.2586 -0.1538 -0.8517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2241 222SOL HW2 2239 1.334 0.655 0.839 0.9881 0.2225 -0.9239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2242 223SOL OW 2240 0.443 1.593 0.354 -0.1996 -0.3188 -0.1311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2243 223SOL HW1 2241 0.443 1.691 0.375 -0.9938 -0.2808 -0.2695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2244 223SOL HW2 2242 0.358 1.569 0.307 0.1642 -1.0019 -0.4596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2245 224SOL OW 2243 0.961 1.271 1.588 0.3976 0.0016 -0.5325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2246 224SOL HW1 2244 1.056 1.279 1.560 0.2888 0.8117 -0.6870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2247 224SOL HW2 2245 0.953 1.203 1.660 1.3245 0.9906 0.5415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2248 225SOL OW 2246 0.446 1.334 0.476 -0.4450 -0.0667 -0.1047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2249 225SOL HW1 2247 0.447 1.426 0.438 0.1286 -1.2942 -3.3853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2250 225SOL HW2 2248 0.355 1.314 0.514 -1.3818 0.9829 -1.7000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2251 226SOL OW 2249 0.438 0.957 0.871 0.5286 0.1675 0.4872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2252 226SOL HW1 2250 0.467 0.866 0.898 1.4138 0.1253 -0.5675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2253 226SOL HW2 2251 0.346 0.974 0.906 0.3109 -1.1612 0.5985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2254 227SOL OW 2252 0.674 1.801 1.481 -0.7483 0.1214 -0.4274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2255 227SOL HW1 2253 0.576 1.803 1.500 -0.7749 1.0052 -0.6362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2256 227SOL HW2 2254 0.710 1.894 1.475 0.1151 -0.1861 -0.3290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2257 228SOL OW 2255 0.546 0.716 0.170 0.6903 0.4361 -0.0198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2258 228SOL HW1 2256 0.588 0.678 0.088 0.2269 -0.8502 0.3170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2259 228SOL HW2 2257 0.617 0.748 0.233 1.0733 0.6021 -0.5354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2260 229SOL OW 2258 1.601 7.156 1.505 -0.0900 0.4143 0.4775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2261 229SOL HW1 2259 1.605 7.234 1.442 1.7448 1.0282 1.2883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2262 229SOL HW2 2260 1.592 7.189 1.599 -0.4077 -0.4026 0.7396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2263 230SOL OW 2261 0.029 0.683 0.557 -0.0030 -0.0561 -0.2139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2264 230SOL HW1 2262 -0.052 0.625 0.559 -0.3164 0.2428 -2.0958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2265 230SOL HW2 2263 0.059 0.702 0.650 -1.4218 -1.0884 0.4958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2266 231SOL OW 2264 1.927 1.713 0.277 0.5834 0.2158 0.0634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2267 231SOL HW1 2265 2.013 1.746 0.314 1.3438 1.0814 -2.2604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2268 231SOL HW2 2266 1.897 1.775 0.204 -1.1450 -0.9883 -0.3054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2269 232SOL OW 2267 0.082 1.574 0.040 -0.1938 0.0361 -0.2599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2270 232SOL HW1 2268 0.039 1.489 0.010 1.6178 -2.1041 2.6883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2271 232SOL HW2 2269 0.101 1.569 0.138 2.6757 2.6188 -0.5387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2272 233SOL OW 2270 1.559 0.517 0.692 -0.1525 0.3149 0.1359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2273 233SOL HW1 2271 1.521 0.508 0.600 0.7027 0.5156 -0.2486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2274 233SOL HW2 2272 1.658 0.509 0.688 -0.1090 0.2270 1.0616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2275 234SOL OW 2273 1.686 0.711 0.242 -0.2100 0.2055 0.2287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2276 234SOL HW1 2274 1.736 0.661 0.172 1.2306 0.1643 1.2377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2277 234SOL HW2 2275 1.685 0.808 0.219 -0.8301 0.0534 -0.4503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2278 235SOL OW 2276 0.279 0.474 1.617 -0.9476 0.4330 -0.4093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2279 235SOL HW1 2277 0.343 0.535 1.662 -0.2394 -0.8641 0.3944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2280 235SOL HW2 2278 0.275 0.387 1.666 -2.3301 0.0060 -1.2118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2281 236SOL OW 2279 0.665 1.205 0.515 -0.3388 0.1610 0.4184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2282 236SOL HW1 2280 0.653 1.108 0.537 0.8051 0.0057 0.4378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2283 236SOL HW2 2281 0.576 1.249 0.505 -0.9597 -0.1577 3.5212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2284 237SOL OW 2282 1.221 1.302 1.466 0.0985 -0.1424 -0.4028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2285 237SOL HW1 2283 1.243 1.222 1.410 1.1015 0.6299 -1.1440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2286 237SOL HW2 2284 1.304 1.338 1.508 -0.6049 -0.6108 1.5207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2287 238SOL OW 2285 1.119 7.137 0.627 -0.1599 -0.3367 -0.2079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2288 238SOL HW1 2286 1.071 7.213 0.584 -1.3361 -1.1148 -0.3346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2289 238SOL HW2 2287 1.189 7.172 0.690 -0.1323 0.8197 -0.8570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2290 239SOL OW 2288 0.205 0.866 1.048 0.5386 0.5272 -0.2318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2291 239SOL HW1 2289 0.249 0.880 1.137 -0.3940 -0.9251 0.4856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2292 239SOL HW2 2290 0.181 0.770 1.037 0.2271 0.7620 -1.8849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2293 240SOL OW 2291 1.379 1.001 0.002 0.3519 -0.3470 0.2228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2294 240SOL HW1 2292 1.307 1.002 0.072 1.2911 -0.1950 1.1985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2295 240SOL HW2 2293 1.417 1.093 -0.007 0.2428 -0.3710 -0.4947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2296 241SOL OW 2294 1.051 1.730 1.537 0.4965 -0.0079 0.7568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2297 241SOL HW1 2295 1.114 1.806 1.521 1.7768 -0.9659 1.1486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2298 241SOL HW2 2296 1.066 1.659 1.469 -0.4493 -0.0886 0.6150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2299 242SOL OW 2297 0.208 0.374 2.212 -0.5081 -0.3400 0.6970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2300 242SOL HW1 2298 0.188 0.289 2.164 -2.8978 0.8427 -0.6564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2301 242SOL HW2 2299 0.261 0.434 2.152 0.0205 -0.3667 1.1313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2302 243SOL OW 2300 1.495 1.339 0.865 -0.0136 -0.3655 0.2355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2303 243SOL HW1 2301 1.411 1.314 0.913 0.3876 -0.9355 0.6456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2304 243SOL HW2 2302 1.526 1.262 0.810 1.5492 -1.0479 1.9695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2305 244SOL OW 2303 1.762 1.778 0.500 0.2387 -0.3702 -0.4108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2306 244SOL HW1 2304 1.713 1.690 0.502 0.8801 -0.7654 2.5917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2307 244SOL HW2 2305 1.842 1.769 0.440 -0.1800 -1.5603 -0.8373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2308 245SOL OW 2306 0.396 0.512 0.289 0.4302 -0.3539 -0.4251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2309 245SOL HW1 2307 0.436 0.597 0.255 -0.6336 -0.1589 -1.2762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2310 245SOL HW2 2308 0.412 0.504 0.387 0.7770 0.7051 -0.3790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2311 246SOL OW 2309 1.165 0.296 0.918 0.0843 0.6466 0.0078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2312 246SOL HW1 2310 1.115 0.219 0.957 2.9597 -1.2077 0.3588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2313 246SOL HW2 2311 1.221 0.340 0.989 1.1777 0.7418 -0.8729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2314 247SOL OW 2312 1.561 1.584 0.399 -0.5728 0.4016 -0.2829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2315 247SOL HW1 2313 1.538 1.551 0.491 -1.7549 -1.0684 -1.0742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2316 247SOL HW2 2314 1.480 1.625 0.357 -0.1029 0.8401 -0.7862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2317 248SOL OW 2315 0.929 0.570 1.434 0.6144 -0.3919 -0.7226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2318 248SOL HW1 2316 1.024 0.586 1.461 0.6352 0.4927 -1.3137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2319 248SOL HW2 2317 0.924 0.491 1.373 1.3877 1.2533 -3.0525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2320 249SOL OW 2318 1.488 0.555 1.445 0.6426 0.4393 -0.1770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2321 249SOL HW1 2319 1.468 0.610 1.527 -2.2087 0.5594 -0.8640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2322 249SOL HW2 2320 1.541 0.475 1.471 1.1899 1.2943 1.5132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2323 250SOL OW 2321 0.905 0.851 1.620 -0.4312 -0.0117 -0.3993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2324 250SOL HW1 2322 0.935 0.771 1.569 -0.3788 0.5064 -1.2008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2325 250SOL HW2 2323 0.835 0.900 1.567 -0.3957 0.5211 0.0391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2326 251SOL OW 2324 0.924 0.391 1.192 0.2422 0.1374 0.1481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2327 251SOL HW1 2325 0.831 0.427 1.195 0.3635 0.4429 0.2982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2328 251SOL HW2 2326 0.929 0.317 1.126 -0.0055 0.4068 -0.1734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2329 252SOL OW 2327 1.025 0.565 0.375 -0.0617 0.3298 0.2671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2330 252SOL HW1 2328 1.031 0.578 0.474 0.7896 0.2043 0.2374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2331 252SOL HW2 2329 0.945 0.509 0.354 -0.6033 0.8699 0.8291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2332 253SOL OW 2330 0.164 0.719 0.784 -0.2460 0.3314 0.1293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2333 253SOL HW1 2331 0.197 0.678 0.869 1.0751 0.9283 -0.0720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2334 253SOL HW2 2332 0.131 0.812 0.802 0.3682 0.5889 -0.0690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2335 254SOL OW 2333 0.137 2.152 1.738 0.1575 -0.9131 0.3526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2336 254SOL HW1 2334 0.048 2.197 1.750 0.3797 0.3160 -1.9201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2337 254SOL HW2 2335 0.123 2.054 1.724 -1.0409 -0.5747 -1.2203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2338 255SOL OW 2336 0.705 7.224 0.351 0.4865 0.0439 -0.5151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2339 255SOL HW1 2337 0.678 7.214 0.256 -0.4499 0.6011 -0.3210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2340 255SOL HW2 2338 0.766 7.148 0.377 -0.5140 -0.9903 -1.1061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2341 256SOL OW 2339 1.434 0.707 1.661 0.2286 0.4049 -0.0462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2342 256SOL HW1 2340 1.368 0.776 1.690 0.8953 0.6132 1.0221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2343 256SOL HW2 2341 1.511 0.705 1.724 -0.1017 -1.8294 0.3964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2344 257SOL OW 2342 1.275 0.681 0.338 0.2900 0.1439 0.4621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2345 257SOL HW1 2343 1.186 0.641 0.361 0.9559 -0.8024 1.4754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2346 257SOL HW2 2344 1.289 0.676 0.239 -1.6579 2.2236 -0.0032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2347 258SOL OW 2345 0.439 0.235 1.012 -0.4985 -0.3691 0.0393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2348 258SOL HW1 2346 0.415 0.237 1.109 -1.4201 0.3051 -0.1884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2349 258SOL HW2 2347 0.431 0.327 0.974 0.1276 -0.5802 -0.6164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2350 259SOL OW 2348 0.895 1.295 0.431 -0.1622 -0.7667 -0.1208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2351 259SOL HW1 2349 0.806 1.254 0.451 -0.0255 -0.9033 0.2194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2352 259SOL HW2 2350 0.965 1.253 0.489 -0.1128 0.3257 0.6392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2353 260SOL OW 2351 0.507 1.728 0.764 0.0132 -0.4263 0.2355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2354 260SOL HW1 2352 0.540 1.636 0.740 0.3520 -0.4558 0.8085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2355 260SOL HW2 2353 0.568 1.769 0.832 -0.7443 -0.2120 0.8021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2356 261SOL OW 2354 1.758 1.142 0.930 -0.8851 0.1957 0.5619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2357 261SOL HW1 2355 1.722 1.155 0.838 -1.5384 -0.3976 0.7304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2358 261SOL HW2 2356 1.685 1.113 0.991 -0.3707 0.1732 1.1785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2359 262SOL OW 2357 1.067 1.516 1.387 -0.0145 0.5242 -0.1593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2360 262SOL HW1 2358 1.101 1.430 1.425 1.8985 1.0898 -0.4909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2361 262SOL HW2 2359 1.120 1.540 1.305 -1.0438 1.6147 -0.5382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2362 263SOL OW 2360 0.304 0.844 0.171 -0.1847 0.1680 -0.5077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2363 263SOL HW1 2361 0.393 0.798 0.175 0.5496 1.3766 -1.7669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2364 263SOL HW2 2362 0.237 0.794 0.226 0.9088 -1.5815 -0.7148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2365 264SOL OW 2363 1.564 0.855 0.658 0.0950 0.0699 -0.1652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2366 264SOL HW1 2364 1.579 0.758 0.679 -2.0467 -0.2675 0.0012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2367 264SOL HW2 2365 1.600 0.876 0.567 0.4625 -0.9109 -0.2560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2368 265SOL OW 2366 0.440 1.449 1.767 0.0277 0.0158 -0.3119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2369 265SOL HW1 2367 0.519 1.419 1.714 -0.4730 -1.2078 -0.4098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2370 265SOL HW2 2368 0.387 1.515 1.714 0.2186 -0.2438 -0.8333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2371 266SOL OW 2369 1.271 1.699 0.032 0.2461 0.7079 -0.1170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2372 266SOL HW1 2370 1.229 1.695 0.123 -0.1281 -1.1311 -0.3425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2373 266SOL HW2 2371 1.213 1.652 -0.034 -1.0417 4.5575 -2.0256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2374 267SOL OW 2372 0.189 0.023 1.644 -0.2168 0.4608 0.4416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2375 267SOL HW1 2373 0.249 -0.056 1.661 0.7654 1.1377 0.2042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2376 267SOL HW2 2374 0.095 -0.008 1.636 0.5119 -1.3135 -3.8175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2377 268SOL OW 2375 1.617 0.989 0.159 0.1969 -0.3473 0.1297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2378 268SOL HW1 2376 1.534 0.960 0.207 -1.0973 2.7306 -0.0063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2379 268SOL HW2 2377 1.611 0.960 0.064 -0.1570 -1.1541 0.3849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2380 269SOL OW 2378 0.311 1.676 0.045 0.6079 -0.0917 0.4572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2381 269SOL HW1 2379 0.350 1.609 -0.017 0.4991 -0.0194 0.3181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2382 269SOL HW2 2380 0.217 1.652 0.067 1.3265 -1.3683 2.3851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2383 270SOL OW 2381 1.328 0.042 0.300 0.2476 0.2420 0.1851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2384 270SOL HW1 2382 1.377 -0.013 0.232 -0.9530 -0.0385 -0.4795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2385 270SOL HW2 2383 1.392 0.103 0.346 1.4055 -0.8880 0.1175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2386 271SOL OW 2384 0.234 1.518 1.267 0.1735 -0.2101 0.3883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2387 271SOL HW1 2385 0.326 1.477 1.270 -0.1686 -1.3121 -1.7036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2388 271SOL HW2 2386 0.176 1.463 1.207 -1.2894 1.5901 0.0737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2389 272SOL OW 2387 0.908 1.665 0.709 -0.1087 -0.2182 0.0904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2390 272SOL HW1 2388 0.999 1.625 0.720 -0.2605 -0.6193 -0.0827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2391 272SOL HW2 2389 0.863 1.624 0.630 -0.0021 0.7971 -0.5237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2392 273SOL OW 2390 0.335 0.555 0.617 -0.1245 -0.0323 0.1640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2393 273SOL HW1 2391 0.284 0.476 0.580 2.1228 -0.2387 -2.8804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2394 273SOL HW2 2392 0.280 0.637 0.606 -0.3965 -0.4266 -1.8389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2395 274SOL OW 2393 1.541 0.029 1.716 -0.2931 0.3770 0.3202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2396 274SOL HW1 2394 1.538 0.050 1.813 -0.5237 1.6316 0.0607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2397 274SOL HW2 2395 1.452 -0.007 1.687 -0.7719 1.5884 0.2512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2398 275SOL OW 2396 0.234 0.162 0.147 -0.3434 0.0295 0.3704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2399 275SOL HW1 2397 0.211 0.259 0.135 1.5797 0.6650 1.4289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2400 275SOL HW2 2398 0.252 0.120 0.058 -0.7595 0.7521 -0.0644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2401 276SOL OW 2399 0.656 0.230 1.762 0.1780 0.2035 0.0643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2402 276SOL HW1 2400 0.749 0.222 1.799 0.0603 -0.2775 0.2596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2403 276SOL HW2 2401 0.596 0.165 1.808 0.1032 -0.6636 -1.1950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2404 277SOL OW 2402 0.775 1.455 1.227 0.1491 0.7031 -0.0511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2405 277SOL HW1 2403 0.800 1.470 1.131 1.4553 -0.3279 0.0947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2406 277SOL HW2 2404 0.857 1.427 1.278 -0.6524 0.6566 1.2426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2407 278SOL OW 2405 1.405 0.705 1.239 0.3775 -0.4293 -0.3263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2408 278SOL HW1 2406 1.457 0.642 1.296 -0.3979 0.2706 1.2275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2409 278SOL HW2 2407 1.456 0.790 1.227 0.1804 -0.2558 0.0517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2410 279SOL OW 2408 0.817 1.202 0.751 0.7164 -0.9024 0.5388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2411 279SOL HW1 2409 0.906 1.239 0.725 0.5693 -0.5588 0.5207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2412 279SOL HW2 2410 0.752 1.218 0.677 -0.1269 1.5605 1.7050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2413 280SOL OW 2411 0.959 0.487 0.837 0.2060 0.1287 -0.0452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2414 280SOL HW1 2412 0.896 0.420 0.797 -0.1866 0.4606 0.0095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2415 280SOL HW2 2413 1.041 0.440 0.869 0.0203 -0.3003 -0.1840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2416 281SOL OW 2414 0.511 0.119 0.614 0.4966 -0.0023 -0.6788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2417 281SOL HW1 2415 0.607 0.121 0.587 0.4228 2.1562 -0.9446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2418 281SOL HW2 2416 0.453 0.142 0.536 -0.1887 -0.3665 -0.2946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2419 282SOL OW 2417 1.188 0.969 0.196 0.0301 -0.1249 -0.1318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2420 282SOL HW1 2418 1.258 1.004 0.258 -0.4772 1.2634 -0.3026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2421 282SOL HW2 2419 1.103 1.020 0.210 -0.9101 -1.6445 -0.0625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2422 283SOL OW 2420 0.426 7.186 0.364 0.0957 1.0653 0.0331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2423 283SOL HW1 2421 0.520 7.207 0.389 0.1084 2.2403 -0.9169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2424 283SOL HW2 2422 0.364 7.253 0.404 0.0761 2.6945 -2.5112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2425 284SOL OW 2423 0.828 0.138 0.529 -0.2976 0.1744 -0.0300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2426 284SOL HW1 2424 0.766 0.120 0.452 -0.3798 0.0498 0.0651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2427 284SOL HW2 2425 0.921 0.151 0.494 -0.4009 0.5068 -0.1851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2428 285SOL OW 2426 1.110 0.798 1.327 -0.8623 -0.2937 0.7911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2429 285SOL HW1 2427 1.040 0.746 1.278 -1.3439 1.2485 -0.2307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2430 285SOL HW2 2428 1.201 0.765 1.300 -1.1532 -0.5634 0.1105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2431 286SOL OW 2429 1.196 1.517 0.705 0.3237 0.0101 -0.0194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2432 286SOL HW1 2430 1.233 1.575 0.632 0.7361 -1.1653 -0.7630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2433 286SOL HW2 2431 1.230 1.550 0.794 -1.1349 2.1907 -0.2015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2434 287SOL OW 2432 0.549 0.980 0.614 -0.3483 0.0047 0.2416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2435 287SOL HW1 2433 0.550 0.977 0.714 0.8711 -0.9522 0.2324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2436 287SOL HW2 2434 0.457 0.958 0.581 -0.6912 0.0286 1.1509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2437 288SOL OW 2435 1.318 1.735 0.559 0.0395 0.4213 -0.2019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2438 288SOL HW1 2436 1.390 1.772 0.500 -0.1359 2.1978 0.6216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2439 288SOL HW2 2437 1.231 1.779 0.537 -0.4778 -0.5130 -0.0789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2440 289SOL OW 2438 0.829 0.356 0.041 -0.0858 0.2217 -0.0714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2441 289SOL HW1 2439 0.881 0.424 -0.012 0.0141 -0.4176 -0.8119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2442 289SOL HW2 2440 0.890 0.310 0.105 0.2259 -0.2945 -0.7151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2443 290SOL OW 2441 7.081 0.586 1.546 -0.1133 -0.0818 0.2755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2444 290SOL HW1 2442 7.080 0.685 1.535 -2.4494 0.0342 0.9705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2445 290SOL HW2 2443 7.033 0.543 1.469 1.3206 -0.7299 -0.2813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2446 291SOL OW 2444 0.416 0.278 1.280 0.3320 -0.7002 -0.1113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2447 291SOL HW1 2445 0.495 0.254 1.337 -0.6172 -1.9973 0.7179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2448 291SOL HW2 2446 0.338 0.223 1.308 -1.6561 2.3954 0.9008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2449 292SOL OW 2447 0.789 0.329 0.725 0.1683 -0.1713 0.5258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2450 292SOL HW1 2448 0.725 0.397 0.689 0.1694 -0.6729 -0.4600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2451 292SOL HW2 2449 0.792 0.251 0.664 2.3447 0.1829 0.1070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2452 293SOL OW 2450 0.725 0.238 0.970 0.2329 -0.3050 -0.2834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2453 293SOL HW1 2451 0.734 0.274 0.877 -0.2733 -2.2383 -1.1433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2454 293SOL HW2 2452 0.628 0.225 0.991 0.2774 1.0745 0.9513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2455 294SOL OW 2453 1.574 1.147 0.700 0.8406 0.1549 0.2500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2456 294SOL HW1 2454 1.550 1.053 0.677 2.1430 -0.0606 -0.3090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2457 294SOL HW2 2455 1.598 1.197 0.616 0.4629 0.9040 0.5736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2458 295SOL OW 2456 1.425 0.745 0.967 -0.7550 -0.2225 0.1861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2459 295SOL HW1 2457 1.366 0.720 1.043 -1.2988 -0.6394 -0.3629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2460 295SOL HW2 2458 1.520 0.725 0.990 -1.0011 -1.1065 0.4457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2461 296SOL OW 2459 1.897 0.707 0.436 0.0219 0.0942 -0.3904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2462 296SOL HW1 2460 1.897 0.641 0.511 2.3105 -0.6217 -0.9408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2463 296SOL HW2 2461 1.810 0.700 0.386 -0.7628 -0.7425 1.0331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2464 297SOL OW 2462 0.606 1.209 0.238 -0.1698 -0.3266 0.4256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2465 297SOL HW1 2463 0.604 1.221 0.338 2.3445 -0.0058 0.5117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2466 297SOL HW2 2464 0.661 1.129 0.216 0.4161 0.3816 -0.7369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2467 298SOL OW 2465 1.724 1.028 0.479 0.1372 -0.0206 -0.6569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2468 298SOL HW1 2466 1.800 0.987 0.428 0.4061 -1.1312 0.5870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2469 298SOL HW2 2467 1.708 1.120 0.445 1.0288 -0.3204 -1.9867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2470 299SOL OW 2468 1.280 0.319 0.099 -0.1228 0.1998 0.1584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2471 299SOL HW1 2469 1.232 0.294 0.015 -0.1047 -0.0041 0.2092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2472 299SOL HW2 2470 1.357 0.257 0.114 1.5196 1.8128 -1.0835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2473 300SOL OW 2471 0.373 0.201 0.413 0.0455 0.3493 -0.4242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2474 300SOL HW1 2472 0.379 0.190 0.314 -1.7845 2.5102 -0.8495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2475 300SOL HW2 2473 0.285 0.243 0.437 0.9559 1.0317 2.0240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2476 301SOL OW 2474 1.721 1.329 1.378 -0.0409 0.4276 0.5978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2477 301SOL HW1 2475 1.798 1.265 1.370 -1.1659 -1.0145 0.9139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2478 301SOL HW2 2476 1.738 1.392 1.454 1.5954 1.2762 -0.4068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2479 302SOL OW 2477 0.880 1.159 1.343 -0.3013 -0.7072 -0.1157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2480 302SOL HW1 2478 0.891 1.197 1.435 -1.0560 -0.2132 -0.2245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2481 302SOL HW2 2479 0.961 1.104 1.321 1.8195 2.3772 -0.6980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2482 303SOL OW 2480 1.608 1.728 1.731 -0.7361 0.2597 0.1058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2483 303SOL HW1 2481 1.633 1.647 1.678 0.1082 -1.1310 2.4783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2484 303SOL HW2 2482 1.688 1.763 1.779 -1.3421 1.8419 0.0425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2485 304SOL OW 2483 1.056 1.142 1.083 -0.3785 -0.5075 0.3692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2486 304SOL HW1 2484 0.984 1.208 1.059 0.7352 0.5702 -0.1009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2487 304SOL HW2 2485 1.043 1.059 1.029 -0.2291 0.3700 -1.0820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2488 305SOL OW 2486 1.567 1.116 1.118 0.0141 -0.4857 0.7727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2489 305SOL HW1 2487 1.529 1.194 1.166 1.1896 1.0520 -0.6347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2490 305SOL HW2 2488 1.499 1.078 1.056 -0.7872 -1.0629 1.9736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2491 306SOL OW 2489 0.899 0.068 1.394 0.4216 -0.8234 -0.4123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2492 306SOL HW1 2490 0.885 0.010 1.314 -0.6417 0.8017 -1.4540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2493 306SOL HW2 2491 0.966 0.139 1.372 -0.0245 -0.2485 0.0577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2494 307SOL OW 2492 0.918 1.082 1.778 0.2378 -0.1219 -0.2038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2495 307SOL HW1 2493 0.893 1.095 1.874 -1.7722 -0.5845 -0.6053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2496 307SOL HW2 2494 0.882 0.994 1.746 1.0066 -0.0403 -1.3479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2497 308SOL OW 2495 0.748 0.788 0.352 0.3823 0.0295 -0.1818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2498 308SOL HW1 2496 0.747 0.792 0.451 0.7882 -0.9790 -0.1258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2499 308SOL HW2 2497 0.841 0.768 0.320 0.0787 -0.5692 -0.7170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2500 309SOL OW 2498 0.360 0.825 1.290 0.2704 1.2515 0.4028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2501 309SOL HW1 2499 0.348 0.873 1.377 -0.2652 2.1339 -0.1472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2502 309SOL HW2 2500 0.341 0.727 1.304 1.7087 1.1145 1.5975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2503 310SOL OW 2501 1.281 0.455 1.179 0.6085 0.0206 0.1321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2504 310SOL HW1 2502 1.307 0.550 1.192 0.0315 0.1091 0.6692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2505 310SOL HW2 2503 1.249 0.416 1.266 0.1496 -0.4476 -0.2384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2506 311SOL OW 2504 0.076 1.868 1.751 0.6417 0.5337 0.4973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2507 311SOL HW1 2505 0.015 1.848 1.675 1.5588 0.8734 -0.3474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2508 311SOL HW2 2506 0.116 1.783 1.785 -0.4257 0.2885 1.1817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2509 312SOL OW 2507 0.321 0.870 0.533 -0.3908 -0.0535 0.1443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2510 312SOL HW1 2508 0.238 0.854 0.586 -1.7624 3.5195 -0.6186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2511 312SOL HW2 2509 0.306 0.844 0.437 0.5097 -2.2140 0.5319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2512 313SOL OW 2510 0.428 0.480 0.883 0.0638 -0.1727 0.6061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2513 313SOL HW1 2511 0.412 0.469 0.785 0.1752 -2.3616 0.7849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2514 313SOL HW2 2512 0.475 0.567 0.900 -1.0527 0.8223 -1.1236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2515 314SOL OW 2513 1.374 1.067 0.358 0.5105 -0.3409 -0.0603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2516 314SOL HW1 2514 1.408 1.161 0.368 -0.8991 0.2272 -0.4227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2517 314SOL HW2 2515 1.397 1.015 0.440 1.5571 0.2287 0.0311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2518 315SOL OW 2516 1.297 1.291 1.042 0.1506 0.4446 -0.1257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2519 315SOL HW1 2517 1.365 1.278 1.114 0.4215 0.8292 -0.3106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2520 315SOL HW2 2518 1.223 1.224 1.054 -0.4122 1.2679 1.2137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2521 316SOL OW 2519 1.524 0.230 0.416 0.3098 0.0109 0.5600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2522 316SOL HW1 2520 1.482 0.321 0.411 -1.1220 -0.6368 0.0474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2523 316SOL HW2 2521 1.544 0.207 0.511 0.3426 0.7162 0.7255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2524 317SOL OW 2522 0.481 1.418 1.247 -0.2673 -0.3257 0.7437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2525 317SOL HW1 2523 0.500 1.446 1.153 -1.6547 -1.0795 0.2027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2526 317SOL HW2 2524 0.544 1.464 1.310 0.3506 0.5681 -0.5008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2527 318SOL OW 2525 0.449 0.704 1.679 -0.7147 -0.6655 -0.6824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2528 318SOL HW1 2526 0.523 0.688 1.613 -0.9053 -1.3713 -0.7244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2529 318SOL HW2 2527 0.487 0.749 1.760 -0.2784 -0.8056 -0.8027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2530 319SOL OW 2528 1.562 1.025 1.740 0.0836 -0.1531 -0.5757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2531 319SOL HW1 2529 1.505 1.034 1.659 1.2530 -2.7300 -1.8093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2532 319SOL HW2 2530 1.614 0.940 1.735 0.5559 -0.2024 2.6903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2533 320SOL OW 2531 1.113 0.167 1.729 0.2202 -0.6365 0.0416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2534 320SOL HW1 2532 1.159 0.252 1.702 0.2968 -1.0642 -1.2599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2535 320SOL HW2 2533 1.110 0.105 1.651 -2.4294 -0.6955 0.0927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2536 321SOL OW 2534 0.524 7.205 1.776 0.2798 0.3513 -0.0587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2537 321SOL HW1 2535 0.446 7.144 1.762 -0.7953 1.3606 1.2181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2538 321SOL HW2 2536 0.582 7.205 1.694 -0.8055 -0.7700 -0.8649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2539 322SOL OW 2537 0.584 0.891 1.134 -0.0848 0.0720 0.1665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2540 322SOL HW1 2538 0.588 0.984 1.097 0.6165 -0.2254 -0.5338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2541 322SOL HW2 2539 0.513 0.887 1.204 -1.6430 0.6072 -1.2930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2542 323SOL OW 2540 1.384 1.013 0.969 0.5205 0.5397 0.6422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2543 323SOL HW1 2541 1.303 1.042 0.918 0.2055 1.4306 1.6136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2544 323SOL HW2 2542 1.405 0.918 0.947 -0.5651 0.4062 0.1053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2545 324SOL OW 2543 1.012 0.257 0.202 0.0386 0.0697 -0.3055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2546 324SOL HW1 2544 1.004 0.243 0.300 -0.5205 1.8556 -0.0654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2547 324SOL HW2 2545 1.109 0.264 0.177 0.2546 -1.7457 -0.1358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2548 325SOL OW 2546 0.242 0.087 1.390 -0.3006 0.6280 0.0740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2549 325SOL HW1 2547 0.221 0.103 1.486 0.4060 3.5397 -0.1467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2550 325SOL HW2 2548 0.295 0.003 1.381 1.8889 1.5839 2.6240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2551 326SOL OW 2549 0.046 1.418 1.027 0.0842 -0.1016 -0.1792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2552 326SOL HW1 2550 0.021 1.380 1.116 0.3121 -0.5416 -0.2970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2553 326SOL HW2 2551 0.093 1.348 0.973 -0.1474 0.1250 -0.6875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2554 327SOL OW 2552 0.567 0.692 0.947 -0.2622 1.1645 0.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2555 327SOL HW1 2553 0.662 0.687 0.917 -0.2214 0.2368 0.4471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2556 327SOL HW2 2554 0.561 0.753 1.026 0.0782 1.3500 0.0675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2557 328SOL OW 2555 1.884 1.191 1.860 0.3701 -0.0150 -0.2287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2558 328SOL HW1 2556 1.788 1.170 1.879 0.7453 -0.8907 0.8114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2559 328SOL HW2 2557 1.941 1.148 1.930 1.4299 1.7061 0.0101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2560 329SOL OW 2558 0.221 0.202 0.830 0.5126 -0.1074 -0.2452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2561 329SOL HW1 2559 0.154 0.207 0.904 -0.5337 -0.8061 -1.1160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2562 329SOL HW2 2560 0.311 0.227 0.865 0.0269 -0.3209 1.2304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2563 330SOL OW 2561 1.716 0.229 0.240 -0.6603 0.7172 0.0994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2564 330SOL HW1 2562 1.802 0.227 0.291 0.3392 -1.4230 -1.5033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2565 330SOL HW2 2563 1.640 0.240 0.304 0.6438 0.0413 1.8586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2566 331SOL OW 2564 0.829 0.732 0.893 -0.2818 0.9085 -0.1776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2567 331SOL HW1 2565 0.832 0.748 0.991 -0.4506 -0.3057 0.0379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2568 331SOL HW2 2566 0.866 0.642 0.872 -0.8510 0.8810 -1.1687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2569 332SOL OW 2567 1.158 1.505 1.709 0.1729 0.7604 0.5837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2570 332SOL HW1 2568 1.114 1.566 1.643 -1.2363 0.3413 1.0955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2571 332SOL HW2 2569 1.244 1.470 1.671 -0.0246 1.4641 -0.5283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2572 333SOL OW 2570 1.800 1.504 1.581 -0.0441 0.2425 -0.5979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2573 333SOL HW1 2571 1.862 1.568 1.537 -1.0331 0.5987 -1.5438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2574 333SOL HW2 2572 1.836 1.477 1.670 2.5641 -1.2930 -1.9811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2575 334SOL OW 2573 0.323 0.913 1.549 0.0347 0.2121 0.4338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2576 334SOL HW1 2574 0.388 0.989 1.561 1.5482 -1.0903 0.8543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2577 334SOL HW2 2575 0.355 0.834 1.602 -1.1725 -0.9270 -0.4826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2578 335SOL OW 2576 1.533 0.183 0.066 -0.0262 -0.3024 0.1127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2579 335SOL HW1 2577 1.493 0.092 0.071 -0.6782 0.0188 1.1162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2580 335SOL HW2 2578 1.598 0.196 0.141 -1.5071 0.7517 1.2795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2581 336SOL OW 2579 1.498 0.770 0.034 -0.3001 0.4532 0.3233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2582 336SOL HW1 2580 1.433 0.700 0.062 0.0130 -0.2237 -0.6027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2583 336SOL HW2 2581 1.451 0.859 0.029 -0.7428 0.2874 1.2987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2584 337SOL OW 2582 1.060 1.255 0.656 -0.2208 0.1285 -0.5121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2585 337SOL HW1 2583 1.120 1.180 0.684 0.4655 -0.5003 -3.3462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2586 337SOL HW2 2584 1.103 1.343 0.678 0.7910 -0.3231 -0.6287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2587 338SOL OW 2585 0.204 0.599 1.016 0.4194 0.1291 -0.2691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2588 338SOL HW1 2586 0.290 0.548 1.011 0.9211 0.8316 0.6810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2589 338SOL HW2 2587 0.131 0.539 1.046 0.7535 -0.3061 -0.3244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2590 339SOL OW 2588 7.194 0.451 0.993 0.2942 0.4023 -1.0862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2591 339SOL HW1 2589 7.185 0.431 0.896 -0.1879 -0.1312 -0.9387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2592 339SOL HW2 2590 7.168 0.546 1.011 0.9562 0.6693 -1.5619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2593 340SOL OW 2591 1.214 0.486 1.453 -0.1493 -0.4846 0.3490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2594 340SOL HW1 2592 1.213 0.476 1.553 1.4965 -0.5672 0.3926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2595 340SOL HW2 2593 1.308 0.505 1.423 -0.6427 -0.3525 -1.1807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2596 341SOL OW 2594 1.096 0.248 1.361 0.1228 -0.2120 -0.2144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2597 341SOL HW1 2595 1.127 0.309 1.434 -1.1381 0.2519 -0.0343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2598 341SOL HW2 2596 1.056 0.302 1.287 -0.5170 -0.7852 -0.2986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2599 342SOL OW 2597 0.027 1.337 0.386 0.4451 -0.4544 0.5097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2600 342SOL HW1 2598 -0.033 1.349 0.465 -1.3871 -1.2195 -0.6833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2601 342SOL HW2 2599 0.034 1.240 0.364 -1.0120 -0.1862 -1.5734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2602 343SOL OW 2600 0.261 1.808 0.715 -0.3421 -0.6484 -0.3657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2603 343SOL HW1 2601 0.209 1.726 0.691 0.0418 -1.3818 1.1836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2604 343SOL HW2 2602 0.358 1.785 0.724 -0.0020 0.2972 -1.2920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2605 344SOL OW 2603 0.592 1.492 0.671 -1.1713 -0.8365 0.0426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2606 344SOL HW1 2604 0.605 1.393 0.676 4.5182 -0.4204 0.0201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2607 344SOL HW2 2605 0.620 1.524 0.580 -1.5977 0.9042 0.4949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2608 345SOL OW 2606 0.827 0.773 1.188 -0.1149 -0.5369 -0.1788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2609 345SOL HW1 2607 0.745 0.830 1.189 -0.3461 -0.8499 -0.8960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2610 345SOL HW2 2608 0.808 0.688 1.238 0.2369 0.0069 0.9093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2611 346SOL OW 2609 7.106 0.259 1.171 -0.9882 -0.1675 -0.1654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2612 346SOL HW1 2610 7.173 0.185 1.183 -1.6313 -0.7675 -0.2085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2613 346SOL HW2 2611 7.137 0.322 1.100 0.3379 0.5007 0.9560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2614 347SOL OW 2612 7.259 0.467 1.711 0.2849 -0.3026 -1.1471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2615 347SOL HW1 2613 7.203 0.522 1.648 0.3450 -1.1921 -2.0142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2616 347SOL HW2 2614 7.352 0.463 1.677 0.0426 -1.7944 -1.6948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2617 348SOL OW 2615 1.211 0.889 1.750 -0.1344 -0.6629 0.0254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2618 348SOL HW1 2616 1.111 0.896 1.750 -0.0854 0.2270 -0.6734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2619 348SOL HW2 2617 1.247 0.929 1.666 0.7468 -2.1862 -0.3521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2620 349SOL OW 2618 0.786 0.457 0.300 -0.0766 0.2177 -0.7060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2621 349SOL HW1 2619 0.733 0.414 0.373 2.0414 -0.9976 0.2114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2622 349SOL HW2 2620 0.767 0.410 0.213 -0.2703 -0.3965 -0.3349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2623 350SOL OW 2621 1.659 0.647 1.056 -0.0271 -0.1460 -0.0158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2624 350SOL HW1 2622 1.661 0.558 1.102 2.0576 -0.1285 0.0209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2625 350SOL HW2 2623 1.748 0.665 1.014 -0.8301 1.3510 -1.1692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2626 351SOL OW 2624 0.251 1.612 1.615 -0.0680 0.5153 -0.4646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2627 351SOL HW1 2625 0.198 1.598 1.698 -0.6863 1.0602 -0.7554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2628 351SOL HW2 2626 0.191 1.647 1.542 0.7273 1.3862 -0.7348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2629 352SOL OW 2627 0.666 0.483 1.241 0.3603 -0.0533 0.0019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2630 352SOL HW1 2628 0.669 0.413 1.312 1.1160 -2.5606 -2.3234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2631 352SOL HW2 2629 0.574 0.484 1.200 -0.0003 1.2097 0.7859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2632 353SOL OW 2630 0.827 1.727 1.714 -0.0496 0.0249 0.1531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2633 353SOL HW1 2631 0.747 1.748 1.658 -0.0414 -0.5484 -0.0803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2634 353SOL HW2 2632 0.904 1.704 1.655 -0.5673 -2.5551 0.3700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2635 354SOL OW 2633 0.176 0.426 0.112 -0.2067 -0.5960 -0.5032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2636 354SOL HW1 2634 0.255 0.461 0.162 -0.4790 -0.1850 -0.3548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2637 354SOL HW2 2635 0.115 0.502 0.088 -0.3206 -0.8487 -1.0309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2638 355SOL OW 2636 0.110 1.072 1.308 -0.5941 -0.2705 -0.2862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2639 355SOL HW1 2637 0.093 1.074 1.407 1.9918 1.7277 0.2285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2640 355SOL HW2 2638 0.081 0.983 1.271 0.9361 -2.2258 2.7795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2641 356SOL OW 2639 1.182 1.058 1.327 -0.1070 1.0073 0.2563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2642 356SOL HW1 2640 1.156 0.963 1.346 1.4742 0.4883 -0.0306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2643 356SOL HW2 2641 1.161 1.080 1.232 -2.3448 1.6293 0.8439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2644 357SOL OW 2642 1.524 0.526 0.423 -0.1749 0.0840 -0.5272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2645 357SOL HW1 2643 1.433 0.567 0.424 0.3914 1.4395 -1.6206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2646 357SOL HW2 2644 1.583 0.577 0.361 1.3657 -0.7251 0.2094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2647 358SOL OW 2645 1.661 1.813 1.014 0.4991 0.4181 -0.3527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2648 358SOL HW1 2646 1.754 1.811 0.978 0.3062 -0.5944 -0.8130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2649 358SOL HW2 2647 1.628 1.720 1.028 -0.5648 0.7595 -0.4959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2650 359SOL OW 2648 1.183 1.544 1.136 -0.3482 -0.5189 0.1324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2651 359SOL HW1 2649 1.214 1.608 1.065 -2.8705 0.2593 -0.3692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2652 359SOL HW2 2650 1.242 1.463 1.136 1.0146 0.4116 -1.3744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2653 360SOL OW 2651 0.387 1.228 0.842 0.7196 0.5874 0.3791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2654 360SOL HW1 2652 0.306 1.199 0.894 1.4730 -1.4711 0.4845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2655 360SOL HW2 2653 0.445 1.149 0.824 1.7172 1.6806 -1.4906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2656 361SOL OW 2654 0.722 1.697 1.997 -0.2287 0.2296 -0.5030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2657 361SOL HW1 2655 0.628 1.731 1.997 -0.5662 -0.6125 0.9549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2658 361SOL HW2 2656 0.759 1.699 1.904 -1.9110 -0.0533 -1.2103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2659 362SOL OW 2657 1.010 7.184 0.076 -0.3205 0.6119 0.5554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2660 362SOL HW1 2658 0.910 7.177 0.075 -0.2950 0.2138 -0.7939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2661 362SOL HW2 2659 1.044 7.193 -0.017 1.1048 -2.4213 0.6383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2662 363SOL OW 2660 1.991 0.223 0.431 -0.1211 0.4990 0.5371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2663 363SOL HW1 2661 2.026 0.316 0.444 1.1327 -0.0907 1.5930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2664 363SOL HW2 2662 2.038 0.161 0.493 -0.4212 -0.9805 -0.6624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2665 364SOL OW 2663 1.609 1.284 0.463 0.4259 0.0296 -0.2986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2666 364SOL HW1 2664 1.641 1.372 0.499 -0.3291 0.1901 0.0193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2667 364SOL HW2 2665 1.571 1.297 0.371 1.0649 -0.1193 -0.5859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2668 365SOL OW 2666 0.166 1.649 1.900 -0.1366 1.1254 -0.3059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2669 365SOL HW1 2667 0.101 1.613 1.967 1.2048 -0.8335 0.0120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2670 365SOL HW2 2668 0.238 1.700 1.948 -0.1525 1.2731 -0.4381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2671 366SOL OW 2669 1.289 0.858 0.576 -0.3359 0.1777 0.1861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2672 366SOL HW1 2670 1.369 0.817 0.619 -0.9516 -1.1674 0.1052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2673 366SOL HW2 2671 1.271 0.812 0.489 -1.5608 0.0162 0.5046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2674 367SOL OW 2672 0.512 1.104 1.558 -0.0815 0.3444 -0.5592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2675 367SOL HW1 2673 0.531 1.169 1.632 -2.0485 0.4826 -0.1048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2676 367SOL HW2 2674 0.470 1.153 1.481 -1.8028 -0.3500 -0.1163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2677 368SOL OW 2675 0.933 1.551 0.058 0.1008 0.4438 -0.2940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2678 368SOL HW1 2676 0.852 1.528 0.112 0.6538 0.4955 0.5881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2679 368SOL HW2 2677 0.939 1.490 -0.022 -1.1775 0.9176 -0.7641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2680 369SOL OW 2678 1.722 1.731 1.320 0.3265 0.7251 -0.2827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2681 369SOL HW1 2679 1.798 1.695 1.375 0.6081 0.6273 -0.7360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2682 369SOL HW2 2680 1.707 1.827 1.343 -0.6259 0.2804 1.1620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2683 370SOL OW 2681 1.737 0.125 0.687 0.1859 0.4789 0.4049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2684 370SOL HW1 2682 1.739 0.056 0.759 -0.7783 0.9164 0.8631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2685 370SOL HW2 2683 1.651 0.176 0.691 0.3860 0.9342 -0.6604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2686 371SOL OW 2684 7.152 0.302 0.729 -0.2944 -0.5295 0.0010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2687 371SOL HW1 2685 7.164 0.231 0.659 -1.2382 -1.3687 0.6555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2688 371SOL HW2 2686 7.055 0.313 0.749 0.0152 -1.7028 2.5514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2689 372SOL OW 2687 1.192 1.309 0.108 0.1637 -0.1418 0.2988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2690 372SOL HW1 2688 1.143 1.247 0.168 -0.7031 -0.6806 -0.9125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2691 372SOL HW2 2689 1.179 1.281 0.013 0.8121 1.1440 -0.2023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2692 373SOL OW 2690 0.713 0.959 1.467 -0.4249 -0.6662 -0.2857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2693 373SOL HW1 2691 0.745 1.020 1.394 0.6399 0.1067 0.7792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2694 373SOL HW2 2692 0.643 1.006 1.520 0.2834 -0.4068 0.4384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2695 374SOL OW 2693 0.987 0.766 0.187 0.1583 0.3561 -0.0796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2696 374SOL HW1 2694 1.064 0.827 0.206 -0.0655 0.7800 -0.5125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2697 374SOL HW2 2695 0.991 0.688 0.248 -0.1118 1.2936 1.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2698 375SOL OW 2696 1.448 1.355 0.231 0.0013 -0.8891 -0.5189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2699 375SOL HW1 2697 1.354 1.369 0.200 0.1866 -1.1633 -1.2324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2700 375SOL HW2 2698 1.510 1.360 0.152 0.9272 2.1830 0.2530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2701 376SOL OW 2699 0.376 1.194 1.356 -0.1778 0.0343 -0.2104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2702 376SOL HW1 2700 0.406 1.272 1.302 0.1229 0.5037 0.6201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2703 376SOL HW2 2701 0.286 1.164 1.325 -0.0690 0.3849 -0.8726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2704 377SOL OW 2702 1.471 1.340 1.259 -0.0378 0.1773 0.3596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2705 377SOL HW1 2703 1.555 1.321 1.310 0.0057 0.8499 0.5437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2706 377SOL HW2 2704 1.441 1.433 1.278 0.0742 0.5093 -0.9977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2707 378SOL OW 2705 1.163 1.024 0.749 -0.1274 -0.3356 0.7110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2708 378SOL HW1 2706 1.080 1.003 0.802 -0.2146 -1.8471 0.0314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2709 378SOL HW2 2707 1.188 0.945 0.694 2.4812 -0.3687 1.7957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2710 379SOL OW 2708 0.958 0.149 1.033 0.3720 -0.3814 -0.1060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2711 379SOL HW1 2709 0.867 0.181 1.006 0.0763 -1.2955 -0.2564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2712 379SOL HW2 2710 0.949 0.064 1.085 1.1716 -0.7633 -0.5682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2713 380SOL OW 2711 0.697 1.485 0.196 -0.2425 -0.5303 0.6674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2714 380SOL HW1 2712 0.673 1.389 0.191 -0.4553 -0.4625 0.4078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2715 380SOL HW2 2713 0.614 1.541 0.201 -0.1184 -0.4072 1.7570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2716 381SOL OW 2714 1.812 0.331 1.398 -0.0244 0.4261 -0.1090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2717 381SOL HW1 2715 1.820 0.412 1.456 -3.7611 -0.0978 1.4638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2718 381SOL HW2 2716 1.774 0.357 1.309 -1.5448 0.4713 0.5138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2719 382SOL OW 2717 0.153 1.560 0.317 -0.0059 0.5776 0.9180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2720 382SOL HW1 2718 0.106 1.475 0.339 1.3223 0.1954 2.4865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2721 382SOL HW2 2719 0.137 1.626 0.390 -1.1950 1.8034 -0.3790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2722 383SOL OW 2720 0.071 1.025 1.576 -0.5051 0.4364 -0.2214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2723 383SOL HW1 2721 0.036 0.968 1.650 -0.2644 2.2394 1.3708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2724 383SOL HW2 2722 0.155 0.984 1.538 0.6151 0.5256 2.0095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2725 384SOL OW 2723 0.655 0.272 1.422 -0.3888 0.0686 0.0653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2726 384SOL HW1 2724 0.733 0.221 1.386 -2.1790 -2.2296 -0.7862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2727 384SOL HW2 2725 0.662 0.277 1.522 1.0454 0.3051 -0.0267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2728 385SOL OW 2726 7.025 0.286 7.068 -0.2657 -0.0229 0.0787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2729 385SOL HW1 2727 7.027 0.355 7.140 -0.9656 0.8294 -0.6836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2730 385SOL HW2 2728 7.074 0.321 6.988 0.2935 -0.8551 0.0507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2731 386SOL OW 2729 1.344 1.005 1.542 0.1636 -0.0686 -0.1103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2732 386SOL HW1 2730 1.277 1.019 1.469 -0.2801 -0.8879 0.1300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2733 386SOL HW2 2731 1.436 1.001 1.502 -0.1608 -1.5198 -0.7542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2734 387SOL OW 2732 7.164 0.248 0.349 -0.1571 -0.3863 -0.5679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2735 387SOL HW1 2733 7.068 0.265 0.373 0.2082 -0.0092 0.7055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2736 387SOL HW2 2734 7.181 0.280 0.256 -1.0442 0.4039 -0.4757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2737 388SOL OW 2735 0.966 1.161 0.213 -0.7306 0.0089 -0.5339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2738 388SOL HW1 2736 0.889 1.125 0.161 -0.8554 1.1626 -1.1884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2739 388SOL HW2 2737 0.931 1.217 0.289 -0.5434 -1.1991 0.4736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2740 389SOL OW 2738 0.646 0.693 1.505 -0.2800 0.1571 -0.1355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2741 389SOL HW1 2739 0.662 0.789 1.485 -1.2265 0.6817 1.4268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2742 389SOL HW2 2740 0.731 0.642 1.495 0.2924 1.2010 -0.7153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2743 390SOL OW 2741 1.314 1.655 0.937 -0.6739 -0.1772 -0.0981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2744 390SOL HW1 2742 1.326 1.706 0.851 -0.7449 2.1123 1.1695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2745 390SOL HW2 2743 1.404 1.634 0.975 -0.5710 1.7091 0.8277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2746 391SOL OW 2744 0.462 0.397 1.861 -0.0793 0.2555 -0.3249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2747 391SOL HW1 2745 0.377 0.362 1.822 -0.6797 2.0586 -0.7474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2748 391SOL HW2 2746 0.540 0.356 1.814 -0.7537 0.0561 -1.2978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2749 392SOL OW 2747 1.402 1.466 1.598 -0.8505 -0.5781 0.0830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2750 392SOL HW1 2748 1.467 1.451 1.673 1.1677 -1.2002 -1.7030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2751 392SOL HW2 2749 1.447 1.517 1.525 -2.5732 -0.5616 -1.0070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2752 393SOL OW 2750 0.429 1.815 1.574 -0.0033 0.3712 -0.5228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2753 393SOL HW1 2751 0.381 1.853 1.495 -0.2828 -0.7271 -0.8950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2754 393SOL HW2 2752 0.390 1.727 1.598 0.6146 0.3196 0.3486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2755 394SOL OW 2753 1.632 0.886 1.231 0.7068 -0.3726 -0.4660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2756 394SOL HW1 2754 1.679 0.816 1.177 -1.3349 -1.0138 -1.4825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2757 394SOL HW2 2755 1.633 0.972 1.181 -1.8195 -1.1373 -2.0107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2758 395SOL OW 2756 1.088 0.135 0.444 0.5202 0.1222 -0.9153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2759 395SOL HW1 2757 1.155 0.093 0.383 1.1548 -0.2690 0.0365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2760 395SOL HW2 2758 1.135 0.191 0.512 -0.2263 1.1677 -1.2209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2761 396SOL OW 2759 0.602 0.526 0.634 0.2503 0.4818 0.0518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2762 396SOL HW1 2760 0.656 0.605 0.606 0.9844 0.6162 1.7154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2763 396SOL HW2 2761 0.505 0.550 0.634 0.4335 1.2509 0.1317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2764 397SOL OW 2762 1.564 0.293 1.536 0.0393 0.2739 -0.3062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2765 397SOL HW1 2763 1.640 0.283 1.472 0.4503 0.9441 0.0674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2766 397SOL HW2 2764 1.538 0.203 1.572 1.4006 0.1596 0.4281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2767 398SOL OW 2765 1.624 0.968 1.479 0.4259 0.0629 -0.0842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2768 398SOL HW1 2766 1.716 0.995 1.507 0.2551 -1.1957 1.8393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2769 398SOL HW2 2767 1.627 0.933 1.385 2.1124 -0.9282 0.2912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2770 399SOL OW 2768 0.864 1.182 7.129 -0.1495 0.5898 -0.0018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2771 399SOL HW1 2769 0.863 1.086 7.159 -0.2137 0.2340 -1.1058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2772 399SOL HW2 2770 0.770 1.211 7.109 0.0370 0.3130 -1.3834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2773 400SOL OW 2771 0.741 1.640 0.961 -0.2080 0.6275 0.2615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2774 400SOL HW1 2772 0.736 1.739 0.951 1.3682 0.6457 -0.5683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2775 400SOL HW2 2773 0.777 1.600 0.877 -0.6556 -0.6500 0.6548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2776 401SOL OW 2774 0.939 0.973 0.893 -0.0893 0.1593 0.0343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2777 401SOL HW1 2775 0.902 0.885 0.864 2.3334 -0.1278 -2.5642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2778 401SOL HW2 2776 0.876 1.046 0.866 -0.9293 -0.5830 -0.0508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2779 402SOL OW 2777 1.317 0.579 0.092 -0.0716 -0.3396 -0.1848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2780 402SOL HW1 2778 1.263 0.600 0.010 -0.2650 -1.2008 -0.2905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2781 402SOL HW2 2779 1.320 0.480 0.105 -2.0696 -0.1906 2.1865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2782 403SOL OW 2780 1.825 1.557 0.697 0.2872 -0.4846 -0.0676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2783 403SOL HW1 2781 1.725 1.550 0.699 0.1098 1.4215 2.1427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2784 403SOL HW2 2782 1.864 1.485 0.755 0.2262 -1.0691 -0.7281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2785 404SOL OW 2783 0.092 1.323 1.542 -0.5651 0.0795 0.3959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2786 404SOL HW1 2784 0.119 1.229 1.565 -0.0406 0.3492 0.9092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2787 404SOL HW2 2785 0.053 1.325 1.450 -0.8926 -0.6994 0.5097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2788 405SOL OW 2786 0.222 1.315 0.633 0.6351 0.0523 0.3167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2789 405SOL HW1 2787 0.154 1.242 0.627 1.1431 -0.3356 -1.8101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2790 405SOL HW2 2788 0.297 1.285 0.692 0.4358 -0.8131 0.1539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2791 406SOL OW 2789 0.665 1.350 1.607 0.6950 -0.4841 -0.4498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2792 406SOL HW1 2790 0.628 1.421 1.546 1.2085 -0.7261 -1.0601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2793 406SOL HW2 2791 0.765 1.345 1.596 0.6417 -1.4787 -0.6251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2794 407SOL OW 2792 1.655 0.400 1.162 0.1723 -0.6121 -0.3144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2795 407SOL HW1 2793 1.717 0.343 1.108 -0.7998 -0.4899 -1.6052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2796 407SOL HW2 2794 1.561 0.379 1.138 -0.2903 -0.2863 1.1027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2797 408SOL OW 2795 0.129 0.364 0.513 -0.0056 0.5930 -0.5497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2798 408SOL HW1 2796 0.090 0.352 0.604 1.3218 -1.2678 -0.1642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2799 408SOL HW2 2797 0.055 0.379 0.447 -1.0855 0.5887 0.6141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2800 409SOL OW 2798 1.564 1.555 1.002 0.5476 -0.2449 -0.1650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2801 409SOL HW1 2799 1.552 1.473 0.947 2.0097 -0.1843 -0.6167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2802 409SOL HW2 2800 1.635 1.539 1.071 0.0729 0.2911 0.4612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2803 410SOL OW 2801 0.319 0.548 1.327 0.3054 -0.3221 0.6405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2804 410SOL HW1 2802 0.371 0.464 1.309 0.5344 0.0881 -0.6979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2805 410SOL HW2 2803 0.297 0.553 1.424 1.8153 -1.0616 1.0548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2806 411SOL OW 2804 0.833 1.551 0.487 -0.2706 -0.6631 0.3915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2807 411SOL HW1 2805 0.793 1.595 0.407 1.6862 0.9505 0.2009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2808 411SOL HW2 2806 0.866 1.460 0.463 0.4942 -0.1108 -0.7494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2809 412SOL OW 2807 1.451 0.231 1.013 0.0241 0.0901 -0.4031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2810 412SOL HW1 2808 1.442 0.143 1.060 1.6960 -0.1119 -0.3772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2811 412SOL HW2 2809 1.384 0.296 1.049 -0.2396 -0.7412 0.6330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2812 413SOL OW 2810 0.910 7.169 1.161 0.0445 -0.1524 -0.1206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2813 413SOL HW1 2811 0.847 7.093 1.142 -0.4627 0.7047 -2.1802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2814 413SOL HW2 2812 1.004 7.139 1.145 -0.0232 -0.7652 0.5910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2815 414SOL OW 2813 0.909 0.913 7.194 0.3018 -0.1887 0.0667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2816 414SOL HW1 2814 0.986 0.852 7.211 0.9475 0.7382 0.4815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2817 414SOL HW2 2815 0.851 0.873 7.122 1.5362 -0.5549 -0.7513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2818 415SOL OW 2816 0.646 1.546 1.430 -0.5032 0.4258 0.3912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2819 415SOL HW1 2817 0.647 1.646 1.433 -1.5357 0.4415 0.5770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2820 415SOL HW2 2818 0.703 1.514 1.354 -3.2690 1.3255 -2.2908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2821 416SOL OW 2819 1.466 7.176 0.102 -0.0975 0.3012 -0.0278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2822 416SOL HW1 2820 1.542 7.150 0.161 0.6220 -0.3790 -1.2131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2823 416SOL HW2 2821 1.430 7.095 0.055 0.3964 1.0072 -1.7159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2824 417SOL OW 2822 1.188 0.310 0.624 -0.3653 -1.1508 -0.2749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2825 417SOL HW1 2823 1.201 0.409 0.615 -0.7890 -1.1717 -1.2405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2826 417SOL HW2 2824 1.207 0.283 0.718 1.6676 -0.4594 -0.4256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2827 418SOL OW 2825 1.505 0.256 0.754 0.2335 0.1177 -0.4658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2828 418SOL HW1 2826 1.481 0.228 0.847 -3.1349 0.9308 -0.9587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2829 418SOL HW2 2827 1.537 0.351 0.755 1.4702 -0.2844 -0.0325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2830 419SOL OW 2828 0.077 1.031 0.347 -0.2489 -0.1731 0.0633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2831 419SOL HW1 2829 0.107 0.938 0.323 0.4164 -0.7722 2.7689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2832 419SOL HW2 2830 0.089 1.044 0.446 0.9482 3.2952 -0.4279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2833 420SOL OW 2831 1.102 1.602 0.255 -0.0953 0.1450 0.2124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2834 420SOL HW1 2832 1.039 1.588 0.178 0.0266 1.2482 -0.1158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2835 420SOL HW2 2833 1.135 1.514 0.288 -0.3573 -0.3651 -0.8329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2836 421SOL OW 2834 0.301 0.805 1.997 0.1499 -0.6164 0.5571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2837 421SOL HW1 2835 0.211 0.765 1.978 0.1780 -1.5899 2.2574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2838 421SOL HW2 2836 0.293 0.904 1.997 -0.7914 -0.6749 0.1027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2839 422SOL OW 2837 0.183 0.244 2.719 -0.1087 0.1692 0.1157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2840 422SOL HW1 2838 0.277 0.264 2.691 0.5027 0.2156 2.0948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2841 422SOL HW2 2839 0.180 0.156 2.766 -1.1767 -0.0771 -0.3586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2842 423SOL OW 2840 7.178 0.524 2.539 0.0698 0.0865 0.2648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2843 423SOL HW1 2841 7.271 0.494 2.518 0.2914 -0.2127 1.5669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2844 423SOL HW2 2842 7.182 0.603 2.602 -0.5327 -1.1032 1.8714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2845 424SOL OW 2843 0.531 1.332 3.099 -0.2452 -0.0915 -0.2049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2846 424SOL HW1 2844 0.596 1.390 3.049 -0.4505 0.8533 0.5960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2847 424SOL HW2 2845 0.509 1.374 3.187 -0.4983 -1.3433 0.3534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2848 425SOL OW 2846 1.663 1.435 2.531 -0.4777 -0.3080 -0.5207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2849 425SOL HW1 2847 1.635 1.455 2.625 -0.7692 -1.4720 -0.3501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2850 425SOL HW2 2848 1.593 1.470 2.468 -1.1987 -1.1595 -0.2064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2851 426SOL OW 2849 1.194 0.760 2.449 0.0230 0.0999 0.3593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2852 426SOL HW1 2850 1.226 0.853 2.469 -0.1984 -0.0410 1.3934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2853 426SOL HW2 2851 1.095 0.756 2.461 -0.0229 -0.1727 -0.0931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2854 427SOL OW 2852 1.736 0.764 2.049 -0.5082 0.2360 0.1197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2855 427SOL HW1 2853 1.653 0.812 2.078 -0.0735 1.8303 -1.1267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2856 427SOL HW2 2854 1.716 0.708 1.968 -1.0640 -1.9822 1.6872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2857 428SOL OW 2855 0.555 1.144 2.888 -0.4607 -0.0589 0.2645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2858 428SOL HW1 2856 0.537 1.189 2.975 0.6325 -5.2599 3.6603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2859 428SOL HW2 2857 0.476 1.088 2.862 0.5711 -1.4960 0.0774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2860 429SOL OW 2858 0.837 0.577 3.577 0.4449 -0.0150 -0.0174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2861 429SOL HW1 2859 0.860 0.560 3.673 -0.4336 2.2406 0.6615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2862 429SOL HW2 2860 0.896 0.649 3.541 -0.5863 0.5875 -0.5345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2863 430SOL OW 2861 0.682 1.032 2.455 0.6737 -0.2287 0.1733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2864 430SOL HW1 2862 0.730 0.988 2.531 1.9098 1.1956 0.2437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2865 430SOL HW2 2863 0.596 1.072 2.489 1.9955 1.8548 1.2578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2866 431SOL OW 2864 0.658 1.143 3.619 0.4463 -0.0781 -0.1112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2867 431SOL HW1 2865 0.744 1.180 3.652 0.4817 -0.3287 0.0860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2868 431SOL HW2 2866 0.604 1.215 3.576 0.8118 0.0497 -0.3593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2869 432SOL OW 2867 0.455 1.555 2.861 0.2890 -0.0500 -0.6894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2870 432SOL HW1 2868 0.392 1.479 2.846 0.1932 -0.0098 -0.4929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2871 432SOL HW2 2869 0.545 1.519 2.889 -0.1604 -0.0426 0.8267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2872 433SOL OW 2870 1.536 1.353 3.362 0.0522 -0.4292 0.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2873 433SOL HW1 2871 1.568 1.348 3.456 2.4398 1.2915 -0.5259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2874 433SOL HW2 2872 1.438 1.372 3.361 -0.0393 -0.5462 2.2240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2875 434SOL OW 2873 0.409 0.428 3.343 -0.0076 0.2852 -0.0805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2876 434SOL HW1 2874 0.500 0.467 3.358 -0.2553 1.4844 -1.5022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2877 434SOL HW2 2875 0.411 0.330 3.364 1.8529 0.0882 -0.9720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2878 435SOL OW 2876 1.637 0.537 2.404 0.3496 0.1795 0.0542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2879 435SOL HW1 2877 1.545 0.513 2.433 0.2844 -0.5977 -0.7432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2880 435SOL HW2 2878 1.646 0.636 2.398 -0.3060 0.2704 0.5401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2881 436SOL OW 2879 0.193 1.761 2.301 -0.1785 0.4690 -0.3241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2882 436SOL HW1 2880 0.189 1.788 2.397 0.8930 -2.8906 0.7917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2883 436SOL HW2 2881 0.269 1.809 2.257 0.1782 1.0609 0.8836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2884 437SOL OW 2882 0.937 1.338 3.544 0.6767 0.0408 -0.7180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2885 437SOL HW1 2883 1.004 1.272 3.510 -0.3144 -0.8450 -1.0001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2886 437SOL HW2 2884 0.865 1.350 3.476 -0.9031 -1.1270 0.6652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2887 438SOL OW 2885 0.039 1.539 2.361 -0.1941 -0.3137 -0.2818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2888 438SOL HW1 2886 0.088 1.606 2.306 -2.2635 1.4124 -0.1421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2889 438SOL HW2 2887 0.078 1.535 2.453 -0.5180 1.3377 -0.0456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2890 439SOL OW 2888 0.291 1.089 2.764 0.6836 0.0463 0.8118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2891 439SOL HW1 2889 0.283 1.020 2.692 2.1130 0.1176 0.5577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2892 439SOL HW2 2890 0.204 1.096 2.813 -0.6952 0.7412 -1.5479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2893 440SOL OW 2891 0.442 1.803 3.348 -0.2094 0.8294 0.0774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2894 440SOL HW1 2892 0.372 1.832 3.413 -2.0136 -1.0658 -0.8893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2895 440SOL HW2 2893 0.528 1.848 3.369 -1.0642 1.3240 2.9169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2896 441SOL OW 2894 0.584 1.098 2.027 -0.5957 0.0122 -0.3179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2897 441SOL HW1 2895 0.625 1.181 1.992 1.2963 -0.8495 -0.2512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2898 441SOL HW2 2896 0.590 1.097 2.127 -0.5673 -0.2268 -0.3217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2899 442SOL OW 2897 1.378 0.249 3.227 0.1522 0.3212 -0.0307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2900 442SOL HW1 2898 1.383 0.257 3.128 0.0342 -1.1116 -0.1690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2901 442SOL HW2 2899 1.469 0.234 3.264 0.3329 1.8043 0.1988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2902 443SOL OW 2900 0.308 0.583 2.484 -0.6627 0.4828 -0.2009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2903 443SOL HW1 2901 0.247 0.507 2.460 -0.8704 0.1317 1.3319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2904 443SOL HW2 2902 0.289 0.612 2.578 0.0634 1.8210 -0.4447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2905 444SOL OW 2903 1.754 1.826 2.218 0.0666 -0.0620 -0.0489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2906 444SOL HW1 2904 1.825 1.846 2.286 1.7519 -0.2001 -1.6865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2907 444SOL HW2 2905 1.751 1.900 2.151 -1.4476 -0.0170 0.0298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2908 445SOL OW 2906 7.188 1.482 2.002 0.2290 0.3016 0.1586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2909 445SOL HW1 2907 7.116 1.430 1.956 0.3528 0.7000 -0.5098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2910 445SOL HW2 2908 7.158 1.577 2.012 1.3316 0.9078 -1.7529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2911 446SOL OW 2909 1.708 0.934 2.663 0.2304 0.0869 0.3309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2912 446SOL HW1 2910 1.788 0.914 2.720 -0.1869 -0.3038 0.7841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2913 446SOL HW2 2911 1.723 1.021 2.615 1.7797 -0.9287 -1.1524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2914 447SOL OW 2912 1.751 1.003 2.248 -0.1378 0.2486 0.0615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2915 447SOL HW1 2913 1.714 1.043 2.165 0.1946 0.4012 -0.0171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2916 447SOL HW2 2914 1.835 1.051 2.274 -0.3882 0.3897 0.6429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2917 448SOL OW 2915 0.273 0.670 3.416 -0.2759 -0.2269 -0.2485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2918 448SOL HW1 2916 0.338 0.746 3.415 0.6967 -1.0085 -2.7401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2919 448SOL HW2 2917 0.318 0.587 3.383 -1.3927 -1.8798 2.0905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2920 449SOL OW 2918 0.672 1.383 2.670 -0.6214 0.4012 -0.1259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2921 449SOL HW1 2919 0.617 1.300 2.658 0.1011 -0.1217 0.1090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2922 449SOL HW2 2920 0.689 1.424 2.581 -0.9033 0.2380 -0.2561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2923 450SOL OW 2921 1.093 1.156 3.448 -0.0722 -0.0232 -0.0446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2924 450SOL HW1 2922 1.175 1.102 3.470 0.6435 0.9994 -0.1303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2925 450SOL HW2 2923 1.014 1.096 3.445 0.8397 -1.2280 -1.0157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2926 451SOL OW 2924 0.895 0.032 2.347 0.0877 -0.4400 -0.4948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2927 451SOL HW1 2925 0.878 0.118 2.395 -0.1774 -0.6291 -0.2441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2928 451SOL HW2 2926 0.809 -0.005 2.313 -0.0217 -1.3265 0.6519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2929 452SOL OW 2927 0.237 1.067 3.088 0.1350 -0.6754 -0.2346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2930 452SOL HW1 2928 0.251 0.969 3.076 0.9739 -0.9836 2.5349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2931 452SOL HW2 2929 0.172 1.100 3.020 -1.7890 -3.5590 0.0174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2932 453SOL OW 2930 1.609 1.160 1.980 0.7476 0.2500 0.2405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2933 453SOL HW1 2931 1.581 1.114 1.895 2.4069 -0.8102 0.2213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2934 453SOL HW2 2932 1.529 1.200 2.024 -0.2357 0.3627 -1.5466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2935 454SOL OW 2933 1.459 1.731 3.544 0.5569 0.1352 0.0541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2936 454SOL HW1 2934 1.451 1.631 3.543 1.3553 0.0571 -1.5571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2937 454SOL HW2 2935 1.420 1.767 3.460 -0.2372 1.2491 0.8786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2938 455SOL OW 2936 0.206 0.205 3.570 -0.6588 0.6331 0.4593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2939 455SOL HW1 2937 0.250 0.284 3.611 0.5084 -0.2955 1.0680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2940 455SOL HW2 2938 0.134 0.235 3.507 -0.4151 2.1447 0.8740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2941 456SOL OW 2939 1.563 1.437 2.775 0.2656 -0.0078 -0.2812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2942 456SOL HW1 2940 1.545 1.524 2.821 0.2422 0.0982 -0.4933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2943 456SOL HW2 2941 1.487 1.374 2.791 -1.3084 1.1183 -2.8671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2944 457SOL OW 2942 1.580 2.049 2.472 0.0658 -0.0752 -0.6416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2945 457SOL HW1 2943 1.589 1.956 2.507 2.0404 0.2930 -0.0725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2946 457SOL HW2 2944 1.569 2.112 2.548 0.5152 0.3346 -0.9159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2947 458SOL OW 2945 0.560 0.841 1.910 -0.6738 0.5853 -0.7849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2948 458SOL HW1 2946 0.575 0.939 1.917 -1.1981 0.5514 3.1461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2949 458SOL HW2 2947 0.471 0.817 1.949 0.3148 -1.6022 0.3381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2950 459SOL OW 2948 1.225 0.509 2.716 0.0912 0.1887 -0.3644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2951 459SOL HW1 2949 1.288 0.510 2.793 -1.5057 1.3575 0.9756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2952 459SOL HW2 2950 1.194 0.415 2.700 3.1316 -0.7011 -1.9862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2953 460SOL OW 2951 1.474 1.778 2.229 -0.2123 0.0179 0.1269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2954 460SOL HW1 2952 1.571 1.801 2.224 -0.5660 1.4094 -2.0824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2955 460SOL HW2 2953 1.439 1.766 2.136 -2.4664 0.9953 0.7944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2956 461SOL OW 2954 0.529 0.572 3.072 0.0686 -0.2661 -0.1453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2957 461SOL HW1 2955 0.551 0.488 3.121 0.5636 -1.0538 -1.6780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2958 461SOL HW2 2956 0.499 0.551 2.979 -1.2754 1.1750 -0.0729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2959 462SOL OW 2957 1.344 0.389 3.557 -0.1010 -0.0670 0.1372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2960 462SOL HW1 2958 1.399 0.472 3.567 1.1596 -0.4855 -2.4182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2961 462SOL HW2 2959 1.403 0.309 3.564 -0.8600 -0.6421 0.0553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2962 463SOL OW 2960 0.984 0.755 3.386 0.6731 0.5026 0.1656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2963 463SOL HW1 2961 1.029 0.682 3.333 -0.8139 -1.1430 1.0493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2964 463SOL HW2 2962 0.927 0.810 3.324 -1.3432 -1.6252 -0.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2965 464SOL OW 2963 0.962 0.290 2.905 0.5944 0.3226 0.7987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2966 464SOL HW1 2964 0.951 0.387 2.927 -0.7206 0.2959 0.3133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2967 464SOL HW2 2965 1.013 0.281 2.819 1.1626 0.5539 1.1027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2968 465SOL OW 2966 1.173 0.696 2.186 -0.3774 -0.7465 -0.0808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2969 465SOL HW1 2967 1.187 0.726 2.281 0.8877 1.2585 -0.8432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2970 465SOL HW2 2968 1.076 0.698 2.164 -0.4742 1.3376 0.4073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2971 466SOL OW 2969 0.062 0.739 2.673 -0.9205 0.1178 -0.1838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2972 466SOL HW1 2970 0.145 0.692 2.704 0.2272 0.5533 -2.4200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2973 466SOL HW2 2971 0.005 0.760 2.753 0.4914 -1.3030 1.2989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2974 467SOL OW 2972 0.076 1.937 3.583 -0.0293 -0.0087 -0.3682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2975 467SOL HW1 2973 0.062 2.030 3.616 -1.2752 -0.3142 -0.0165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2976 467SOL HW2 2974 -0.008 1.903 3.542 -0.5334 -2.0283 2.1371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2977 468SOL OW 2975 0.808 0.224 2.114 -0.0879 0.0500 0.4461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2978 468SOL HW1 2976 0.844 0.307 2.073 -0.5883 0.9744 1.7970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2979 468SOL HW2 2977 0.873 0.149 2.101 -0.0588 0.3864 -1.6060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2980 469SOL OW 2978 1.727 0.652 3.822 0.5554 -0.0779 -0.0033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2981 469SOL HW1 2979 1.717 0.741 3.778 1.1448 0.0799 0.1751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2982 469SOL HW2 2980 1.806 0.603 3.783 -0.1652 -0.8112 -0.5790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2983 470SOL OW 2981 1.498 1.074 2.349 -0.5907 -0.2995 -0.0900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2984 470SOL HW1 2982 1.597 1.081 2.362 -0.9809 1.3809 2.7754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2985 470SOL HW2 2983 1.461 1.163 2.323 -1.5528 -0.3672 0.9665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2986 471SOL OW 2984 0.511 0.194 2.537 0.3866 0.4916 -0.3228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2987 471SOL HW1 2985 0.542 0.171 2.629 0.3606 -0.4373 -0.5321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2988 471SOL HW2 2986 0.550 0.282 2.509 0.7299 0.5777 0.4088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2989 472SOL OW 2987 1.074 1.598 2.305 0.0221 0.1489 -0.0421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2990 472SOL HW1 2988 1.131 1.638 2.377 -1.2905 -0.8235 1.6034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2991 472SOL HW2 2989 0.996 1.657 2.287 -0.6928 -0.5193 0.7626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2992 473SOL OW 2990 0.614 2.069 2.759 0.0659 0.7185 -0.6856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2993 473SOL HW1 2991 0.671 2.055 2.839 -1.2934 -0.6523 0.0765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2994 473SOL HW2 2992 0.670 2.106 2.684 1.8912 -0.4217 0.0672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2995 474SOL OW 2993 1.899 0.919 2.994 0.1724 0.2240 -0.0618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2996 474SOL HW1 2994 1.928 0.877 2.908 -1.7442 -2.2201 0.3727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2997 474SOL HW2 2995 1.814 0.968 2.980 -0.7300 -1.0926 0.5837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2998 475SOL OW 2996 1.268 1.392 3.379 0.3731 -0.2661 0.3337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
2999 475SOL HW1 2997 1.214 1.309 3.396 0.1099 -0.2649 -0.4582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3000 475SOL HW2 2998 1.208 1.463 3.343 0.6044 0.2724 0.9880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3001 476SOL OW 2999 0.297 1.095 1.999 -0.3763 -0.2987 -0.5048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3002 476SOL HW1 3000 0.394 1.116 2.013 0.1601 -2.4045 -0.6631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3003 476SOL HW2 3001 0.252 1.172 1.954 1.2718 0.6177 -0.6576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3004 477SOL OW 3002 1.466 0.999 2.791 -0.3289 0.1517 0.3823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3005 477SOL HW1 3003 1.456 0.913 2.842 1.6170 -0.1673 0.3175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3006 477SOL HW2 3004 1.550 0.995 2.737 -1.2604 1.3247 -1.2208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3007 478SOL OW 3005 0.565 1.428 3.583 -0.5757 0.0541 -0.3225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3008 478SOL HW1 3006 0.506 1.435 3.502 -0.7511 -1.3493 -0.3404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3009 478SOL HW2 3007 0.511 1.450 3.665 -1.2580 -1.4740 -0.3112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3010 479SOL OW 3008 1.114 1.846 2.121 0.3575 -0.0417 0.8101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3011 479SOL HW1 3009 1.026 1.848 2.168 -0.1913 -0.8407 -0.1639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3012 479SOL HW2 3010 1.116 1.771 2.056 1.2941 0.7348 -0.0960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3013 480SOL OW 3011 0.157 0.249 3.100 -0.8801 -0.6183 -0.8498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3014 480SOL HW1 3012 0.076 0.237 3.043 -0.8095 -1.8598 -0.7164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3015 480SOL HW2 3013 0.142 0.208 3.190 -0.6940 0.6047 -0.2375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3016 481SOL OW 3014 1.675 1.360 2.139 -0.0898 -0.1794 0.0896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3017 481SOL HW1 3015 1.604 1.361 2.209 -0.0679 0.5736 0.1134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3018 481SOL HW2 3016 1.664 1.280 2.081 0.2849 -1.1668 1.3418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3019 482SOL OW 3017 0.526 1.789 2.193 0.6953 0.1500 0.1841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3020 482SOL HW1 3018 0.480 1.843 2.263 -0.2084 -0.6522 0.2268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3021 482SOL HW2 3019 0.533 1.694 2.223 -2.0540 -0.8235 -1.7851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3022 483SOL OW 3020 1.438 0.168 2.300 -0.2368 0.3202 -0.0246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3023 483SOL HW1 3021 1.370 0.240 2.299 0.3951 0.9276 -0.4089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3024 483SOL HW2 3022 1.529 0.207 2.284 -0.0935 -0.7500 -2.3231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3025 484SOL OW 3023 0.141 1.753 3.017 -0.5433 0.3240 0.1210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3026 484SOL HW1 3024 0.212 1.717 3.079 -0.3719 -0.2267 -0.3879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3027 484SOL HW2 3025 0.132 1.692 2.939 -0.9628 0.8722 -0.2582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3028 485SOL OW 3026 0.889 1.620 2.628 0.2862 0.0738 -0.2398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3029 485SOL HW1 3027 0.972 1.565 2.639 0.4124 -0.0519 -1.6379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3030 485SOL HW2 3028 0.836 1.585 2.551 -1.1002 0.1409 0.6482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3031 486SOL OW 3029 0.501 0.606 2.311 0.2332 0.0573 -0.1894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3032 486SOL HW1 3030 0.450 0.583 2.228 0.8397 -1.0186 -0.2852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3033 486SOL HW2 3031 0.444 0.588 2.391 -0.7575 2.1413 -0.3595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3034 487SOL OW 3032 1.531 0.194 3.593 0.5337 0.3049 0.8448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3035 487SOL HW1 3033 1.536 0.221 3.689 2.7045 -0.0289 0.8937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3036 487SOL HW2 3034 1.542 0.095 3.586 1.7190 0.4589 0.2139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3037 488SOL OW 3035 0.372 0.085 1.983 0.7044 -0.3026 -0.1369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3038 488SOL HW1 3036 0.437 0.110 2.054 2.4789 -0.8291 -1.4870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3039 488SOL HW2 3037 0.415 0.021 1.919 -0.3103 1.1522 -2.4354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3040 489SOL OW 3038 0.850 0.042 3.272 0.7419 0.5353 0.6218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3041 489SOL HW1 3039 0.931 0.064 3.218 0.1109 0.5934 -0.3332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3042 489SOL HW2 3040 0.871 -0.032 3.335 1.7811 1.1647 1.0311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3043 490SOL OW 3041 1.042 1.549 3.049 -1.1638 -0.3385 -0.3483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3044 490SOL HW1 3042 0.975 1.587 2.986 -1.3640 0.6806 0.4534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3045 490SOL HW2 3043 1.085 1.468 3.008 -2.6405 -0.8207 -0.9938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3046 491SOL OW 3044 1.409 0.639 3.195 -0.3081 -0.0035 0.5091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3047 491SOL HW1 3045 1.472 0.568 3.226 1.1413 0.0188 -2.1046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3048 491SOL HW2 3046 1.451 0.729 3.208 0.0198 0.0419 -0.6788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3049 492SOL OW 3047 0.912 1.298 2.767 0.1007 -0.3910 -0.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3050 492SOL HW1 3048 0.979 1.362 2.729 -0.8618 1.1819 0.8060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3051 492SOL HW2 3049 0.823 1.315 2.725 -0.0109 -1.7871 -0.4304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3052 493SOL OW 3050 1.030 0.697 2.798 -0.2662 -0.3846 0.1040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3053 493SOL HW1 3051 1.077 0.654 2.720 0.4631 -0.1481 0.4083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3054 493SOL HW2 3052 1.003 0.626 2.863 -0.7121 -0.5646 -0.2751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3055 494SOL OW 3053 0.632 0.039 2.312 0.0412 -0.0129 0.5494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3056 494SOL HW1 3054 0.603 0.068 2.403 -0.6274 -0.8949 0.6218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3057 494SOL HW2 3055 0.581 0.091 2.243 1.6157 1.7519 0.6336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3058 495SOL OW 3056 1.550 1.437 1.847 0.0686 -0.0780 0.1823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3059 495SOL HW1 3057 1.649 1.442 1.853 0.1066 -0.8774 0.2496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3060 495SOL HW2 3058 1.513 1.399 1.932 -0.2457 -0.4204 -0.1009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3061 496SOL OW 3059 0.116 7.257 2.061 0.0301 -0.5679 0.6999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3062 496SOL HW1 3060 0.199 7.299 2.025 -0.4440 0.1558 0.4273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3063 496SOL HW2 3061 0.127 7.241 2.159 0.6377 -0.8370 0.5888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3064 497SOL OW 3062 1.024 0.423 2.284 0.3256 -0.1433 -0.8323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3065 497SOL HW1 3063 0.977 0.431 2.196 -0.0007 -1.8549 -0.8437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3066 497SOL HW2 3064 1.123 0.418 2.269 0.5520 2.8817 -0.8454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3067 498SOL OW 3065 1.137 0.578 3.185 -0.2129 -0.5983 0.2694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3068 498SOL HW1 3066 1.147 0.487 3.224 -0.1107 0.2101 2.2637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3069 498SOL HW2 3067 1.225 0.626 3.190 0.1488 -0.8927 -2.2302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3070 499SOL OW 3068 1.305 1.651 2.600 -0.8776 -0.1901 -0.3478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3071 499SOL HW1 3069 1.274 1.730 2.547 0.0788 0.6771 0.3267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3072 499SOL HW2 3070 1.376 1.681 2.665 1.3473 -1.9961 -1.7756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3073 500SOL OW 3071 0.485 1.202 2.578 -0.0704 0.6428 0.5381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3074 500SOL HW1 3072 0.440 1.197 2.667 -1.0506 1.8428 0.1406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3075 500SOL HW2 3073 0.417 1.224 2.507 0.6122 -0.6898 -0.5880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3076 501SOL OW 3074 1.174 1.830 2.433 0.0303 -0.0799 -0.3178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3077 501SOL HW1 3075 1.188 1.857 2.338 -0.7113 -2.0650 -1.0627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3078 501SOL HW2 3076 1.088 1.868 2.466 0.0770 0.2659 -0.5902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3079 502SOL OW 3077 0.899 0.432 1.989 0.3329 -0.0905 -0.3095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3080 502SOL HW1 3078 0.847 0.509 1.954 0.7868 -0.0867 -0.9970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3081 502SOL HW2 3079 0.996 0.444 1.966 0.6631 -0.0522 1.0229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3082 503SOL OW 3080 0.036 0.789 3.173 0.2781 0.3450 -0.6090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3083 503SOL HW1 3081 0.127 0.790 3.132 -0.3421 1.7869 -2.0510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3084 503SOL HW2 3082 0.017 0.878 3.214 -0.9087 0.4464 -1.3318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3085 504SOL OW 3083 0.502 0.193 2.813 0.4380 -0.0576 -0.2662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3086 504SOL HW1 3084 0.595 0.178 2.847 0.2578 -0.2373 0.1646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3087 504SOL HW2 3085 0.437 0.161 2.882 0.0529 0.6419 -0.2992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3088 505SOL OW 3086 0.922 0.674 2.443 0.0606 -0.1015 -0.6201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3089 505SOL HW1 3087 0.834 0.705 2.406 0.3327 0.7188 -0.5980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3090 505SOL HW2 3088 0.957 0.599 2.387 -0.5233 -0.2509 -0.7913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3091 506SOL OW 3089 0.878 0.281 2.457 0.1679 -0.2235 -0.7150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3092 506SOL HW1 3090 0.949 0.325 2.402 0.5951 0.9633 0.7312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3093 506SOL HW2 3091 0.794 0.335 2.452 0.5259 0.5143 0.6025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3094 507SOL OW 3092 1.374 1.259 2.847 0.0640 -0.2359 0.2333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3095 507SOL HW1 3093 1.285 1.266 2.890 0.4143 -0.8744 1.0864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3096 507SOL HW2 3094 1.399 1.163 2.837 0.4542 -0.0721 -0.4246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3097 508SOL OW 3095 1.450 0.786 2.946 -0.6179 -0.2501 -0.3254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3098 508SOL HW1 3096 1.352 0.784 2.970 -0.6681 -0.3301 -0.5387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3099 508SOL HW2 3097 1.483 0.693 2.930 -0.3089 -0.2974 0.5314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3100 509SOL OW 3098 1.981 0.808 2.177 0.0284 -0.5334 0.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3101 509SOL HW1 3099 2.010 0.777 2.268 -0.2622 0.8391 0.6323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3102 509SOL HW2 3100 1.884 0.788 2.165 -0.1737 0.1771 0.4507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3103 510SOL OW 3101 0.390 1.441 2.029 0.0111 0.4740 0.6227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3104 510SOL HW1 3102 0.296 1.423 2.060 0.0222 1.4788 1.2686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3105 510SOL HW2 3103 0.391 1.446 1.929 -0.7007 0.7960 0.6237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3106 511SOL OW 3104 1.726 1.172 2.541 0.0919 -0.0998 0.0971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3107 511SOL HW1 3105 1.801 1.166 2.475 -0.4771 -1.5631 -0.4457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3108 511SOL HW2 3106 1.688 1.265 2.540 -0.6580 -0.3617 -2.5052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3109 512SOL OW 3107 1.255 0.431 1.710 -0.5514 0.0098 -0.3794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3110 512SOL HW1 3108 1.194 0.454 1.786 -1.2942 -0.6088 -0.7754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3111 512SOL HW2 3109 1.347 0.465 1.730 -0.8413 0.2640 0.5832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3112 513SOL OW 3110 0.534 0.210 2.151 -0.1224 0.3494 -0.1991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3113 513SOL HW1 3111 0.633 0.213 2.164 -0.1911 1.2130 0.2329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3114 513SOL HW2 3112 0.500 0.304 2.138 -0.9086 0.0784 -0.1381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3115 514SOL OW 3113 1.845 1.149 3.455 -0.0377 -0.4428 0.2368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3116 514SOL HW1 3114 1.899 1.158 3.372 -0.0558 0.7594 0.3394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3117 514SOL HW2 3115 1.885 1.207 3.527 0.4988 -2.1071 1.3555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3118 515SOL OW 3116 0.992 1.252 3.163 -0.0083 0.2663 0.2100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3119 515SOL HW1 3117 0.923 1.182 3.176 -2.3448 1.8613 -2.3901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3120 515SOL HW2 3118 0.961 1.338 3.205 -0.7792 1.5535 -2.7328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3121 516SOL OW 3119 1.814 1.574 3.515 -0.6001 -0.1721 -0.2527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3122 516SOL HW1 3120 1.896 1.538 3.469 -0.9142 -4.4170 1.9435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3123 516SOL HW2 3121 1.764 1.634 3.453 1.8311 -1.0346 -3.3083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3124 517SOL OW 3122 1.128 1.285 2.935 0.4220 -0.8839 -0.4741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3125 517SOL HW1 3123 1.102 1.268 3.030 0.5596 0.3544 -0.2023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3126 517SOL HW2 3124 1.049 1.272 2.875 0.0325 -0.4678 -0.0496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3127 518SOL OW 3125 1.664 1.032 2.975 -0.0627 -0.1359 0.1007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3128 518SOL HW1 3126 1.634 1.079 3.058 -1.2549 1.5408 -1.2307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3129 518SOL HW2 3127 1.586 0.990 2.930 0.2089 0.8486 -1.3279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3130 519SOL OW 3128 0.747 0.126 2.887 -0.0398 0.0072 0.2973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3131 519SOL HW1 3129 0.765 0.041 2.936 -0.6673 0.7690 1.9055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3132 519SOL HW2 3130 0.834 0.175 2.874 0.4261 -1.1576 -1.2515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3133 520SOL OW 3131 0.893 0.979 3.511 0.8562 -0.1167 -0.4453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3134 520SOL HW1 3132 0.808 0.974 3.564 0.0444 2.8315 -1.3086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3135 520SOL HW2 3133 0.905 0.893 3.460 -1.8518 -0.4790 -0.6345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3136 521SOL OW 3134 0.835 1.205 2.324 0.2515 -0.0066 0.2918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3137 521SOL HW1 3135 0.784 1.132 2.369 0.5101 -0.1163 0.4093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3138 521SOL HW2 3136 0.885 1.167 2.246 -1.3145 0.4282 -0.9822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3139 522SOL OW 3137 0.301 0.783 3.042 -0.0946 -0.0332 -0.1138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3140 522SOL HW1 3138 0.398 0.807 3.051 -0.1611 2.0216 -3.2547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3141 522SOL HW2 3139 0.292 0.685 3.028 1.3470 -0.4851 1.8280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3142 523SOL OW 3140 1.387 0.451 3.004 0.0775 0.1168 -0.0723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3143 523SOL HW1 3141 1.486 0.462 2.992 -0.0152 0.2999 -0.6672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3144 523SOL HW2 3142 1.356 0.510 3.079 0.4806 -0.2478 0.3889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3145 524SOL OW 3143 7.191 1.568 3.186 0.0804 -0.1125 0.0037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3146 524SOL HW1 3144 7.149 1.595 3.273 0.5798 1.2197 -0.1501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3147 524SOL HW2 3145 7.177 1.640 3.118 0.1732 -0.9012 -0.8772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3148 525SOL OW 3146 0.324 1.242 2.364 0.0764 0.2267 0.1475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3149 525SOL HW1 3147 0.419 1.255 2.337 -0.3018 1.5594 -0.6623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3150 525SOL HW2 3148 0.265 1.254 2.284 -0.6984 -2.2105 0.2740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3151 526SOL OW 3149 0.660 0.431 2.462 0.1751 -0.1263 0.2799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3152 526SOL HW1 3150 0.600 0.489 2.407 0.2643 -0.3567 -0.0621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3153 526SOL HW2 3151 0.689 0.481 2.543 -0.4298 0.0078 0.4156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3154 527SOL OW 3152 1.353 1.310 2.356 -0.4436 0.2068 -0.1750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3155 527SOL HW1 3153 1.385 1.405 2.363 -0.8641 0.3953 -0.7635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3156 527SOL HW2 3154 1.261 1.303 2.394 -0.7313 0.2048 -0.8565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3157 528SOL OW 3155 1.471 1.610 3.054 0.2729 0.6327 0.3619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3158 528SOL HW1 3156 1.515 1.661 3.128 -1.0023 1.0585 0.8605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3159 528SOL HW2 3157 1.477 1.512 3.072 -0.0663 0.7348 1.0629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3160 529SOL OW 3158 1.682 0.802 2.407 0.2983 -0.0319 0.4798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3161 529SOL HW1 3159 1.715 0.869 2.341 -0.1337 -0.1426 0.1440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3162 529SOL HW2 3160 1.678 0.844 2.498 1.2095 0.0241 0.5078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3163 530SOL OW 3161 0.302 1.600 3.180 0.8600 -0.5430 0.2700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3164 530SOL HW1 3162 0.251 1.520 3.212 0.4922 0.0540 1.2352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3165 530SOL HW2 3163 0.368 1.627 3.250 0.6847 0.2473 0.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3166 531SOL OW 3164 0.558 0.769 3.401 0.3325 0.3450 -0.3327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3167 531SOL HW1 3165 0.566 0.840 3.330 2.6448 0.6622 0.1620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3168 531SOL HW2 3166 0.608 0.688 3.372 3.7419 1.4172 1.9184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3169 532SOL OW 3167 1.695 0.892 3.729 -0.2197 -0.6027 0.1883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3170 532SOL HW1 3168 1.623 0.956 3.756 0.7209 -0.3314 2.2004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3171 532SOL HW2 3169 1.699 0.888 3.629 -0.0733 2.7771 -0.0722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3172 533SOL OW 3170 1.158 0.161 3.757 0.3702 -0.5192 -0.0159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3173 533SOL HW1 3171 1.140 0.218 3.677 1.7942 1.1572 0.7913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3174 533SOL HW2 3172 1.193 0.218 3.831 -1.0702 -1.9903 1.8906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3175 534SOL OW 3173 0.411 0.151 3.396 -0.2899 0.3416 0.1511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3176 534SOL HW1 3174 0.441 0.066 3.352 2.2632 -0.2645 2.7530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3177 534SOL HW2 3175 0.329 0.134 3.450 -0.0142 -0.3809 0.3499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3178 535SOL OW 3176 0.584 0.867 2.675 0.7359 -0.4191 0.4272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3179 535SOL HW1 3177 0.493 0.893 2.642 1.6163 0.7754 -1.2020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3180 535SOL HW2 3178 0.630 0.946 2.713 1.5750 -0.7107 0.0429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3181 536SOL OW 3179 1.187 0.841 2.982 0.8431 0.2359 0.1383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3182 536SOL HW1 3180 1.144 0.928 2.956 1.4958 1.0244 1.5792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3183 536SOL HW2 3181 1.155 0.768 2.921 -0.4918 1.2845 -0.4612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3184 537SOL OW 3182 1.162 0.487 1.965 0.6448 -0.0176 0.4440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3185 537SOL HW1 3183 1.217 0.406 1.986 1.4894 0.7814 1.3541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3186 537SOL HW2 3184 1.186 0.562 2.027 -2.0143 0.1401 1.4109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3187 538SOL OW 3185 0.405 0.130 3.050 -0.3910 -0.2199 -0.5510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3188 538SOL HW1 3186 0.318 0.173 3.077 0.7016 0.9249 1.4099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3189 538SOL HW2 3187 0.395 0.031 3.054 -1.1431 -0.1140 1.5163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3190 539SOL OW 3188 0.120 1.384 3.130 -0.0377 -0.0179 -0.1735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3191 539SOL HW1 3189 0.063 1.309 3.161 -1.1207 0.2796 -1.3207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3192 539SOL HW2 3190 0.073 1.471 3.147 0.9630 0.3691 0.6653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3193 540SOL OW 3191 0.689 0.623 2.667 -0.3652 0.2411 0.5641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3194 540SOL HW1 3192 0.781 0.652 2.642 -0.5724 -0.3938 -1.0687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3195 540SOL HW2 3193 0.633 0.703 2.690 0.4385 0.6734 1.0402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3196 541SOL OW 3194 1.874 1.082 3.803 0.5581 0.2984 -0.2321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3197 541SOL HW1 3195 1.818 1.010 3.763 -0.4801 1.0050 -0.0938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3198 541SOL HW2 3196 1.911 1.052 3.891 -1.5160 0.6094 0.8042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3199 542SOL OW 3197 0.149 7.227 2.324 0.0746 -0.7884 -0.5860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3200 542SOL HW1 3198 0.092 7.258 2.401 0.3203 0.4978 -0.9170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3201 542SOL HW2 3199 0.245 7.227 2.351 0.2241 0.3069 -1.0914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3202 543SOL OW 3200 1.489 0.571 2.161 -0.0537 0.2302 -0.2008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3203 543SOL HW1 3201 1.559 0.570 2.233 0.0104 1.1098 -0.2371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3204 543SOL HW2 3202 1.466 0.666 2.138 -1.7218 -0.0428 0.2440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3205 544SOL OW 3203 0.888 0.900 2.923 -0.5831 -0.3350 -0.2395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3206 544SOL HW1 3204 0.944 0.829 2.881 2.8146 2.1422 -0.2207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3207 544SOL HW2 3205 0.848 0.958 2.853 -0.4825 -0.1858 -0.1732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3208 545SOL OW 3206 1.066 1.599 3.594 -0.0180 0.3910 -0.1703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3209 545SOL HW1 3207 1.089 1.609 3.498 1.1556 0.3427 0.0842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3210 545SOL HW2 3208 1.010 1.517 3.607 1.8507 -1.0074 -0.5247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3211 546SOL OW 3209 1.610 1.431 3.626 -0.0384 -0.1571 -0.3795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3212 546SOL HW1 3210 1.649 1.370 3.696 1.4001 -1.2500 -2.0404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3213 546SOL HW2 3211 1.684 1.475 3.576 -1.0323 0.5393 -1.2769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3214 547SOL OW 3212 0.465 0.947 3.595 0.7345 -0.1436 0.7938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3215 547SOL HW1 3213 0.530 1.021 3.613 0.5968 0.1373 0.1509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3216 547SOL HW2 3214 0.499 0.891 3.520 0.0207 0.2731 0.1481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3217 548SOL OW 3215 1.543 0.385 1.965 -0.0468 -1.0718 -0.2632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3218 548SOL HW1 3216 1.461 0.344 1.923 0.9017 -1.7208 -1.5467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3219 548SOL HW2 3217 1.515 0.452 2.033 -1.6732 0.1780 -2.0607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3220 549SOL OW 3218 1.273 0.879 2.005 0.1079 0.2162 -0.0454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3221 549SOL HW1 3219 1.237 0.807 2.063 -1.6650 2.0871 1.3184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3222 549SOL HW2 3220 1.257 0.855 1.909 -1.2364 -0.8363 0.4051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3223 550SOL OW 3221 1.102 1.471 2.639 0.1636 0.0214 0.1114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3224 550SOL HW1 3222 1.124 1.388 2.589 1.1554 0.7210 -0.6578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3225 550SOL HW2 3223 1.177 1.537 2.630 -0.3836 0.8241 1.1037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3226 551SOL OW 3224 0.345 0.914 2.536 0.0784 -0.0893 -0.1622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3227 551SOL HW1 3225 0.384 0.847 2.474 -1.9235 -0.4536 -1.1156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3228 551SOL HW2 3226 0.272 0.964 2.490 -0.6108 0.5282 1.5068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3229 552SOL OW 3227 0.250 0.556 2.780 0.3635 -0.1166 0.7136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3230 552SOL HW1 3228 0.200 0.480 2.821 1.7801 -2.1943 -1.1315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3231 552SOL HW2 3229 0.348 0.534 2.778 0.4462 -0.2059 -3.5010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3232 553SOL OW 3230 1.123 0.318 3.299 0.3808 0.4239 0.2431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3233 553SOL HW1 3231 1.092 0.302 3.392 1.8245 0.2946 0.7222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3234 553SOL HW2 3232 1.216 0.283 3.287 -0.6157 -1.7662 -1.9453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3235 554SOL OW 3233 1.083 0.143 3.090 0.0943 -0.2774 -0.0101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3236 554SOL HW1 3234 1.109 0.207 3.163 2.0433 0.7151 -1.4953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3237 554SOL HW2 3235 1.038 0.193 3.017 0.7781 -0.7585 -0.7733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3238 555SOL OW 3236 7.229 1.288 1.256 0.0086 -0.3416 -0.4177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3239 555SOL HW1 3237 7.269 1.198 1.273 -0.5826 -0.5827 -0.2872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3240 555SOL HW2 3238 7.133 1.288 1.285 0.2745 0.6305 0.5521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3241 556SOL OW 3239 0.442 1.841 2.762 0.2121 -0.2642 -0.4891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3242 556SOL HW1 3240 0.494 1.763 2.797 0.8235 0.7399 0.9612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3243 556SOL HW2 3241 0.502 1.920 2.755 -0.3510 0.0447 -2.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3244 557SOL OW 3242 0.725 1.474 2.940 0.0388 -0.2295 0.3208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3245 557SOL HW1 3243 0.779 1.558 2.947 -2.8951 1.7677 1.0728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3246 557SOL HW2 3244 0.740 1.431 2.851 0.9275 1.6125 -0.4623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3247 558SOL OW 3245 0.940 0.556 3.004 -0.1918 -0.4081 -0.0542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3248 558SOL HW1 3246 1.019 0.581 3.060 0.3162 -0.8434 -0.5649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3249 558SOL HW2 3247 0.857 0.586 3.050 0.1992 -0.8627 0.9963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3250 559SOL OW 3248 7.211 0.483 3.105 -1.0259 -0.3414 0.3468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3251 559SOL HW1 3249 7.194 0.400 3.052 -1.7543 0.0977 -0.1186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3252 559SOL HW2 3250 7.307 0.485 3.133 -0.5914 -0.5216 -1.0617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3253 560SOL OW 3251 0.020 0.590 3.382 0.4344 -0.2365 -0.0344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3254 560SOL HW1 3252 0.006 0.631 3.293 0.2953 0.2732 0.2220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3255 560SOL HW2 3253 0.111 0.613 3.416 1.2304 -1.9597 -0.8542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3256 561SOL OW 3254 1.321 1.005 3.458 -0.4743 0.1524 0.1027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3257 561SOL HW1 3255 1.408 1.046 3.485 -0.7258 0.9579 -0.2698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3258 561SOL HW2 3256 1.329 0.965 3.367 -0.9081 1.6612 -0.6356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3259 562SOL OW 3257 0.919 0.798 2.152 -0.1411 0.6104 0.0898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3260 562SOL HW1 3258 0.851 0.829 2.217 0.7087 -0.0318 1.3237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3261 562SOL HW2 3259 0.876 0.785 2.062 -1.7054 -0.0635 0.8997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3262 563SOL OW 3260 1.636 0.468 2.910 -0.8121 -0.4424 -0.2587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3263 563SOL HW1 3261 1.722 0.513 2.935 -1.3940 1.9491 -2.0826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3264 563SOL HW2 3262 1.651 0.410 2.830 -0.7854 -0.4619 -0.2395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3265 564SOL OW 3263 0.348 1.519 3.712 -0.1168 0.1468 0.5613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3266 564SOL HW1 3264 0.306 1.564 3.792 -1.4719 -0.9304 0.4994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3267 564SOL HW2 3265 0.307 1.429 3.699 0.5809 0.0114 -0.9507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3268 565SOL OW 3266 0.499 0.457 2.786 -0.2166 0.0154 0.2988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3269 565SOL HW1 3267 0.511 0.358 2.801 0.5161 0.5029 4.0628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3270 565SOL HW2 3268 0.580 0.493 2.739 1.0000 -0.8157 1.6313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3271 566SOL OW 3269 1.115 1.625 3.301 0.6383 -0.2925 0.0102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3272 566SOL HW1 3270 1.103 1.596 3.206 0.1822 0.5869 -0.2059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3273 566SOL HW2 3271 1.130 1.723 3.305 1.8626 -0.4916 0.7630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3274 567SOL OW 3272 0.378 0.538 2.065 0.3261 0.1595 -0.1623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3275 567SOL HW1 3273 0.408 0.483 1.987 -1.4866 -0.5634 -0.3908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3276 567SOL HW2 3274 0.359 0.631 2.035 1.8894 0.5488 -0.0763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3277 568SOL OW 3275 0.265 1.164 3.332 -0.1612 0.0669 -0.3412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3278 568SOL HW1 3276 0.273 1.077 3.380 -2.8897 -0.4748 -0.6981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3279 568SOL HW2 3277 0.265 1.148 3.233 0.2223 0.5718 -0.4259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3280 569SOL OW 3278 1.279 1.022 3.184 0.5023 0.3326 -0.3081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3281 569SOL HW1 3279 1.262 0.948 3.119 2.1667 0.6109 -1.1083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3282 569SOL HW2 3280 1.201 1.030 3.246 -0.2621 -1.2410 -1.0058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3283 570SOL OW 3281 1.506 0.854 2.152 -0.0195 0.3864 0.0175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3284 570SOL HW1 3282 1.517 0.904 2.238 -0.1918 -0.7676 0.7369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3285 570SOL HW2 3283 1.421 0.881 2.108 -0.5846 0.0287 0.8768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3286 571SOL OW 3284 1.801 1.710 3.075 -0.1076 -0.1399 0.3963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3287 571SOL HW1 3285 1.856 1.700 2.992 1.1037 -0.5359 1.2074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3288 571SOL HW2 3286 1.788 1.621 3.117 -0.3038 0.1118 0.8753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3289 572SOL OW 3287 1.466 1.721 2.818 0.1883 -0.1007 -0.4390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3290 572SOL HW1 3288 1.535 1.790 2.798 -0.9282 1.0474 -0.4373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3291 572SOL HW2 3289 1.475 1.691 2.914 0.3338 0.4549 -0.2765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3292 573SOL OW 3290 0.257 1.363 2.888 -0.9084 0.2173 -0.5050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3293 573SOL HW1 3291 0.215 1.415 2.962 -0.6613 1.6853 -1.3538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3294 573SOL HW2 3292 0.295 1.278 2.924 0.8781 1.7342 1.4717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3295 574SOL OW 3293 0.718 1.772 3.602 -0.2364 -0.2512 -0.4561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3296 574SOL HW1 3294 0.734 1.785 3.505 0.4200 -0.6733 -0.4071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3297 574SOL HW2 3295 0.800 1.797 3.653 0.0281 -1.6718 -0.1382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3298 575SOL OW 3296 1.697 0.255 2.278 0.0050 0.4996 -0.3391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3299 575SOL HW1 3297 1.748 0.280 2.196 0.6870 -0.0600 -0.0981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3300 575SOL HW2 3298 1.757 0.205 2.341 -0.5137 0.8908 0.4905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3301 576SOL OW 3299 1.480 1.561 2.389 -0.2899 0.0924 -0.1304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3302 576SOL HW1 3300 1.477 1.632 2.318 -0.9672 1.8964 1.6142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3303 576SOL HW2 3301 1.438 1.596 2.473 1.5576 -1.5233 1.5615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3304 577SOL OW 3302 0.155 1.687 3.838 -0.2748 -0.0583 0.3523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3305 577SOL HW1 3303 0.082 1.639 3.789 -0.3966 -0.2106 0.6829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3306 577SOL HW2 3304 0.146 1.670 3.936 0.1410 0.0107 0.4023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3307 578SOL OW 3305 1.296 0.996 2.536 -0.8023 0.1393 -0.1048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3308 578SOL HW1 3306 1.341 1.003 2.625 1.1776 0.2991 -1.0627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3309 578SOL HW2 3307 1.362 1.016 2.463 -2.2891 -0.2767 -1.6418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3310 579SOL OW 3308 0.736 1.132 3.244 -0.0437 0.1461 -0.1260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3311 579SOL HW1 3309 0.744 1.204 3.314 -1.7551 -0.9261 1.2551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3312 579SOL HW2 3310 0.658 1.152 3.185 -0.5326 -0.5782 0.2731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3313 580SOL OW 3311 0.608 1.494 2.179 0.2475 0.3280 0.4408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3314 580SOL HW1 3312 0.675 1.528 2.113 0.6287 0.0493 0.6874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3315 580SOL HW2 3313 0.521 1.477 2.131 0.7985 -0.7986 -0.1851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3316 581SOL OW 3314 1.704 1.742 3.347 -0.1130 0.4134 -0.4486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3317 581SOL HW1 3315 1.742 1.743 3.255 -0.9191 -0.1821 -0.7911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3318 581SOL HW2 3316 1.607 1.764 3.344 -0.9128 -2.6681 -0.1352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3319 582SOL OW 3317 1.664 0.117 2.731 -0.7199 0.6853 0.2123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3320 582SOL HW1 3318 1.727 0.056 2.685 0.2740 2.3961 -0.7842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3321 582SOL HW2 3319 1.580 0.125 2.678 -0.8761 0.1794 0.3736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3322 583SOL OW 3320 7.258 0.066 2.516 -0.4258 -0.4109 -0.0436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3323 583SOL HW1 3321 7.244 0.109 2.605 -2.2378 2.1705 -1.4293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3324 583SOL HW2 3322 7.186 -0.002 2.500 0.9563 -2.2346 1.1202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3325 584SOL OW 3323 1.169 1.619 1.966 0.0785 0.6858 -0.7400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3326 584SOL HW1 3324 1.167 1.552 2.041 1.4522 0.6001 -0.7514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3327 584SOL HW2 3325 1.159 1.571 1.879 -0.4410 0.6689 -0.6755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3328 585SOL OW 3326 0.855 0.903 3.186 0.0645 0.3996 -0.1539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3329 585SOL HW1 3327 0.886 0.901 3.091 1.4916 -0.0069 0.3077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3330 585SOL HW2 3328 0.829 0.997 3.211 0.5278 0.6709 -0.6794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3331 586SOL OW 3329 0.991 1.079 2.125 0.3424 0.1507 0.2991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3332 586SOL HW1 3330 0.996 0.980 2.138 0.4038 0.3672 2.0668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3333 586SOL HW2 3331 1.065 1.108 2.064 -1.8993 -1.3322 -3.5182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3334 587SOL OW 3332 1.425 1.755 1.938 -0.3038 -0.0307 0.3883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3335 587SOL HW1 3333 1.346 1.697 1.917 -1.0301 1.6478 -1.8939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3336 587SOL HW2 3334 1.499 1.734 1.875 -0.1782 0.7363 0.2739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3337 588SOL OW 3335 0.370 1.415 3.392 -0.2709 -0.3712 0.0204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3338 588SOL HW1 3336 0.301 1.466 3.444 -0.8476 -1.4927 0.3849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3339 588SOL HW2 3337 0.337 1.322 3.376 0.6526 -0.5552 -0.8559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3340 589SOL OW 3338 1.542 1.137 3.196 -0.0418 -0.1693 0.7352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3341 589SOL HW1 3339 1.442 1.142 3.187 -0.1000 -0.7408 1.0225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3342 589SOL HW2 3340 1.574 1.211 3.255 -0.1966 0.5430 -0.0454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3343 590SOL OW 3341 1.095 1.255 2.477 0.0104 0.8904 0.1938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3344 590SOL HW1 3342 1.014 1.241 2.419 -0.4501 0.4434 0.9337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3345 590SOL HW2 3343 1.126 1.167 2.512 -0.2724 1.2465 1.3656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3346 591SOL OW 3344 1.106 0.267 2.665 0.3680 0.5401 -0.4052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3347 591SOL HW1 3345 1.029 0.273 2.602 1.4454 -0.5967 -1.8854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3348 591SOL HW2 3346 1.134 0.172 2.675 0.9426 0.8246 0.9272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3349 592SOL OW 3347 0.570 1.250 2.272 -0.6108 -0.0694 -0.1086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3350 592SOL HW1 3348 0.659 1.205 2.271 -0.6476 -0.1981 0.8371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3351 592SOL HW2 3349 0.578 1.341 2.230 -0.6861 -1.1554 -2.6423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3352 593SOL OW 3350 1.656 0.494 3.285 0.1970 0.1317 -0.2287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3353 593SOL HW1 3351 1.692 0.585 3.304 -0.7290 0.0769 2.0527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3354 593SOL HW2 3352 1.698 0.458 3.201 0.4828 2.6776 -1.2578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3355 594SOL OW 3353 0.147 1.391 2.152 0.2428 -0.2050 -0.2399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3356 594SOL HW1 3354 0.068 1.407 2.091 0.0111 -4.2734 -1.2580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3357 594SOL HW2 3355 0.124 1.423 2.244 -1.0757 2.1669 -1.2961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3358 595SOL OW 3356 0.195 1.027 3.576 -0.4020 -0.2912 -0.0064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3359 595SOL HW1 3357 0.134 0.965 3.626 -0.4682 -1.4142 -1.4060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3360 595SOL HW2 3358 0.289 0.994 3.584 -0.5377 -1.0847 -1.4427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3361 596SOL OW 3359 0.693 0.286 3.157 -0.0517 -0.1702 -0.1711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3362 596SOL HW1 3360 0.646 0.202 3.182 2.3482 -1.6752 -0.4303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3363 596SOL HW2 3361 0.723 0.281 3.062 0.2377 0.9136 -0.1517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3364 597SOL OW 3362 7.109 0.313 1.875 0.5635 0.1924 0.1141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3365 597SOL HW1 3363 7.163 0.367 1.810 1.1288 1.0907 1.3001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3366 597SOL HW2 3364 7.089 0.369 1.956 -0.9000 -0.6090 0.3359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3367 598SOL OW 3365 1.540 0.877 3.291 -0.1121 0.1099 0.0109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3368 598SOL HW1 3366 1.524 0.972 3.265 0.7310 0.2685 0.0301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3369 598SOL HW2 3367 1.609 0.837 3.229 1.3167 0.2435 1.4452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3370 599SOL OW 3368 7.140 0.131 2.074 0.0627 -0.5699 0.0270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3371 599SOL HW1 3369 7.139 0.193 1.996 -1.0765 -0.2109 0.3095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3372 599SOL HW2 3370 7.229 0.085 2.080 0.7958 0.7599 -0.3961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3373 600SOL OW 3371 1.376 1.298 2.082 -0.0075 -0.2393 0.2487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3374 600SOL HW1 3372 1.285 1.279 2.045 -0.8596 2.7143 0.6164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3375 600SOL HW2 3373 1.370 1.311 2.181 0.6601 0.8228 0.1604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3376 601SOL OW 3374 0.569 0.839 3.138 -0.1482 0.4353 -0.6293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3377 601SOL HW1 3375 0.665 0.865 3.131 0.5125 -1.3051 0.8711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3378 601SOL HW2 3376 0.562 0.739 3.139 -1.6935 0.4762 1.7401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3379 602SOL OW 3377 1.692 1.959 2.931 -0.5558 0.2454 -0.2406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3380 602SOL HW1 3378 1.737 1.996 2.849 -0.2648 0.9563 0.2337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3381 602SOL HW2 3379 1.743 1.880 2.964 -0.2924 0.3633 -0.3618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3382 603SOL OW 3380 0.668 0.532 3.350 0.7548 0.8660 0.3523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3383 603SOL HW1 3381 0.679 0.445 3.302 -0.6999 -0.2380 1.8637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3384 603SOL HW2 3382 0.727 0.533 3.431 0.8878 1.3730 0.2540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3385 604SOL OW 3383 1.563 1.106 3.548 0.0774 -0.0673 0.1508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3386 604SOL HW1 3384 1.523 1.106 3.640 -1.4377 4.3563 -0.2552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3387 604SOL HW2 3385 1.660 1.131 3.553 0.1564 -0.4548 0.5704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3388 605SOL OW 3386 0.346 1.836 3.639 -0.1990 0.0961 0.4188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3389 605SOL HW1 3387 0.255 1.874 3.659 -1.2899 -0.9392 -2.1070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3390 605SOL HW2 3388 0.347 1.739 3.659 0.2850 0.0610 0.2375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3391 606SOL OW 3389 1.745 0.756 3.176 -0.1723 0.1949 -0.2740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3392 606SOL HW1 3390 1.767 0.844 3.135 -1.4020 0.1780 -1.0038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3393 606SOL HW2 3391 1.798 0.684 3.130 -0.0114 0.4157 -0.4373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3394 607SOL OW 3392 1.289 0.399 2.260 -0.2400 -0.1510 -0.8823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3395 607SOL HW1 3393 1.361 0.439 2.202 -1.3048 2.2166 -0.7163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3396 607SOL HW2 3394 1.278 0.455 2.342 -1.2629 -1.3343 -0.1821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3397 608SOL OW 3395 0.696 0.815 2.282 0.0160 0.0286 0.2805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3398 608SOL HW1 3396 0.672 0.884 2.350 -0.3755 -0.0793 0.2503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3399 608SOL HW2 3397 0.626 0.744 2.280 0.5920 -0.5546 0.5582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3400 609SOL OW 3398 1.755 0.379 3.535 0.2673 0.2769 0.6962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3401 609SOL HW1 3399 1.710 0.419 3.455 0.1633 0.1453 0.6863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3402 609SOL HW2 3400 1.693 0.312 3.576 0.2386 0.4949 1.0095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3403 610SOL OW 3401 1.763 0.881 3.459 0.0108 0.3451 0.6851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3404 610SOL HW1 3402 1.800 0.974 3.456 0.1451 0.3960 2.5326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3405 610SOL HW2 3403 1.688 0.873 3.393 1.4654 1.0422 -1.1387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3406 611SOL OW 3404 0.979 1.387 1.882 0.1717 0.1284 -0.0334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3407 611SOL HW1 3405 1.030 1.403 1.967 -0.9977 0.8804 0.5532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3408 611SOL HW2 3406 1.038 1.408 1.804 1.0821 -0.0183 0.5995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3409 612SOL OW 3407 0.883 1.695 2.889 0.3176 -0.0455 -0.3069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3410 612SOL HW1 3408 0.843 1.787 2.884 -1.3475 -0.6522 0.8856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3411 612SOL HW2 3409 0.892 1.658 2.796 -3.0751 -0.2958 -0.6676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3412 613SOL OW 3410 0.748 1.080 2.724 0.1503 -0.2788 0.1827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3413 613SOL HW1 3411 0.821 1.148 2.730 -1.3429 1.5207 -0.9214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3414 613SOL HW2 3412 0.670 1.109 2.780 -1.3093 0.0588 -1.9069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3415 614SOL OW 3413 1.171 1.157 1.950 0.3329 -0.3324 -0.0186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3416 614SOL HW1 3414 1.097 1.151 1.884 -1.1325 0.0617 1.5226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3417 614SOL HW2 3415 1.228 1.075 1.945 -0.3306 -0.7356 -1.0867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3418 615SOL OW 3416 1.928 1.452 2.678 0.0395 0.0441 -0.3133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3419 615SOL HW1 3417 1.854 1.441 2.612 -0.4356 1.2745 -0.0128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3420 615SOL HW2 3418 1.916 1.386 2.752 -0.9764 0.4541 -0.0868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3421 616SOL OW 3419 0.153 1.310 3.679 -0.2717 0.1217 0.5168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3422 616SOL HW1 3420 0.116 1.243 3.614 -0.7366 -0.4716 1.3782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3423 616SOL HW2 3421 0.174 1.265 3.765 -0.9126 1.1423 1.2334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3424 617SOL OW 3422 0.183 1.398 2.553 -0.5508 0.1926 0.3026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3425 617SOL HW1 3423 0.191 1.349 2.640 1.0008 1.2826 0.8294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3426 617SOL HW2 3424 0.234 1.350 2.482 0.0864 0.4674 0.5639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3427 618SOL OW 3425 0.739 1.428 3.346 0.2423 0.2091 -0.0493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3428 618SOL HW1 3426 0.695 1.452 3.432 -1.3377 0.2490 -0.8268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3429 618SOL HW2 3427 0.733 1.506 3.283 0.1616 -0.2768 -0.6525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3430 619SOL OW 3428 1.683 0.390 2.633 -0.1162 -0.3594 -0.1302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3431 619SOL HW1 3429 1.677 0.465 2.567 -0.7095 -0.0099 0.3126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3432 619SOL HW2 3430 1.599 0.336 2.631 0.6995 -1.6622 -1.1810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3433 620SOL OW 3431 0.127 0.359 2.458 0.0483 0.3550 0.1421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3434 620SOL HW1 3432 0.153 0.369 2.362 -0.0205 1.4180 0.2146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3435 620SOL HW2 3433 0.107 0.263 2.478 1.0605 -0.0294 -0.6388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3436 621SOL OW 3434 1.796 1.246 2.883 0.3854 0.0446 -0.3935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3437 621SOL HW1 3435 1.725 1.306 2.848 1.3525 1.3737 -0.1576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3438 621SOL HW2 3436 1.755 1.161 2.916 -0.8235 -0.1841 -2.3296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3439 622SOL OW 3437 0.246 0.506 3.110 -0.1635 -0.0408 0.6114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3440 622SOL HW1 3438 0.220 0.415 3.078 0.7222 -0.0063 -0.2571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3441 622SOL HW2 3439 0.296 0.498 3.196 -0.1449 -0.3737 0.5708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3442 623SOL OW 3440 0.772 1.465 2.419 0.1132 -0.0666 -0.4002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3443 623SOL HW1 3441 0.802 1.372 2.395 -0.1916 -0.0982 -0.6593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3444 623SOL HW2 3442 0.715 1.502 2.346 -0.9059 -0.2039 0.2986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3445 624SOL OW 3443 1.534 0.150 2.998 0.1534 -0.3682 0.3969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3446 624SOL HW1 3444 1.473 0.097 2.938 0.1650 -0.1463 0.1840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3447 624SOL HW2 3445 1.584 0.217 2.943 -0.0980 0.0805 0.7089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3448 625SOL OW 3446 1.146 0.031 2.839 0.0205 -0.1354 -0.6540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3449 625SOL HW1 3447 1.092 -0.025 2.777 0.6651 -1.0824 -0.3753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3450 625SOL HW2 3448 1.094 0.047 2.923 -0.4803 0.3754 -1.0519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3451 626SOL OW 3449 1.085 1.377 2.134 0.2416 0.2730 -0.1767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3452 626SOL HW1 3450 1.039 1.291 2.159 -0.4598 0.7471 0.2094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3453 626SOL HW2 3451 1.073 1.443 2.208 2.2735 0.1648 0.3073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3454 627SOL OW 3452 0.699 1.685 3.237 -0.0883 -0.1144 -0.1358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3455 627SOL HW1 3453 0.768 1.756 3.239 -1.0401 0.8879 2.4096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3456 627SOL HW2 3454 0.613 1.723 3.203 0.3146 -1.1391 -2.4988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3457 628SOL OW 3455 1.310 0.247 1.936 -0.4597 -0.2660 0.0578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3458 628SOL HW1 3456 1.381 0.177 1.943 -0.4390 -0.4425 -1.6161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3459 628SOL HW2 3457 1.226 0.207 1.900 -0.8369 0.3151 0.2667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3460 629SOL OW 3458 1.380 0.539 2.467 0.6935 -0.2721 -0.0826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3461 629SOL HW1 3459 1.332 0.620 2.433 0.2781 -0.3301 0.3533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3462 629SOL HW2 3460 1.348 0.517 2.559 -0.0804 -1.6101 -0.6288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3463 630SOL OW 3461 1.477 0.192 2.572 -0.0764 0.5320 0.1491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3464 630SOL HW1 3462 1.390 0.221 2.611 0.1193 0.1691 0.8838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3465 630SOL HW2 3463 1.468 0.179 2.474 -0.5395 1.6637 0.0284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3466 631SOL OW 3464 0.076 1.040 2.162 0.1878 0.2578 1.0724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3467 631SOL HW1 3465 0.122 1.070 2.079 0.0389 0.3549 1.0255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3468 631SOL HW2 3466 0.139 0.985 2.217 1.1492 2.2580 2.1067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3469 632SOL OW 3467 0.858 1.799 2.245 -0.3458 0.0596 -0.4057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3470 632SOL HW1 3468 0.806 1.786 2.160 0.3001 -0.9778 -0.6638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3471 632SOL HW2 3469 0.799 1.841 2.314 -2.5242 -3.5403 0.2430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3472 633SOL OW 3470 0.324 0.497 3.651 -0.2819 0.1348 -0.0309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3473 633SOL HW1 3471 0.239 0.496 3.704 0.1231 -0.3928 0.6311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3474 633SOL HW2 3472 0.307 0.536 3.560 -1.2255 0.0323 0.0944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3475 634SOL OW 3473 0.142 0.250 4.769 0.0266 0.1935 0.3701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3476 634SOL HW1 3474 0.149 0.206 4.858 -1.2881 1.3177 1.0507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3477 634SOL HW2 3475 0.154 0.181 4.697 0.4216 -0.8374 1.3971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3478 635SOL OW 3476 0.034 0.435 4.571 -0.0396 0.7486 0.1471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3479 635SOL HW1 3477 -0.058 0.461 4.600 0.8362 2.2868 1.6922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3480 635SOL HW2 3478 0.075 0.373 4.638 -0.2234 -0.6491 -0.9768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3481 636SOL OW 3479 0.496 1.365 5.039 0.3643 0.4116 -0.4413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3482 636SOL HW1 3480 0.475 1.325 5.128 2.4375 0.2528 0.0163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3483 636SOL HW2 3481 0.478 1.463 5.042 -1.7191 0.0893 -0.5933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3484 637SOL OW 3482 1.461 1.586 4.417 0.1662 -0.1925 0.2583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3485 637SOL HW1 3483 1.383 1.523 4.426 -0.5588 0.5195 -0.8976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3486 637SOL HW2 3484 1.473 1.611 4.321 0.7500 1.0543 0.6394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3487 638SOL OW 3485 0.837 0.818 4.177 0.0738 0.2700 0.3988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3488 638SOL HW1 3486 0.913 0.864 4.223 -0.3513 1.5117 -0.0739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3489 638SOL HW2 3487 0.762 0.883 4.165 0.2449 0.1173 -2.2145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3490 639SOL OW 3488 1.858 0.630 4.093 -0.0283 -0.1927 0.4918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3491 639SOL HW1 3489 1.786 0.665 4.032 0.1451 -1.3642 -0.4338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3492 639SOL HW2 3490 1.883 0.538 4.064 1.5170 0.0103 1.0976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3493 640SOL OW 3491 0.456 1.222 4.813 0.1977 0.1183 -0.2704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3494 640SOL HW1 3492 0.474 1.278 4.894 1.4015 -2.2611 1.1892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3495 640SOL HW2 3493 0.540 1.211 4.761 0.0534 -0.6097 -0.3590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3496 641SOL OW 3494 0.858 0.704 5.513 -0.5296 0.0349 0.1377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3497 641SOL HW1 3495 0.775 0.724 5.565 -0.9036 -0.0243 -0.4243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3498 641SOL HW2 3496 0.864 0.768 5.436 -1.4683 -1.6366 -1.3947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3499 642SOL OW 3497 0.649 1.128 4.469 0.4103 0.3809 0.5187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3500 642SOL HW1 3498 0.673 1.186 4.546 1.5187 -1.7358 1.8465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3501 642SOL HW2 3499 0.549 1.124 4.460 0.3013 1.9250 0.7903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3502 643SOL OW 3500 0.605 1.386 5.703 0.3620 -0.0723 0.2362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3503 643SOL HW1 3501 0.698 1.405 5.673 0.3039 -0.8558 -0.4631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3504 643SOL HW2 3502 0.592 1.288 5.714 -0.3053 0.0470 0.5886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3505 644SOL OW 3503 0.226 1.425 4.806 -0.3739 -0.4910 0.2459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3506 644SOL HW1 3504 0.131 1.395 4.800 0.1655 -2.5342 1.0628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3507 644SOL HW2 3505 0.284 1.346 4.826 1.4635 0.7738 0.0835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3508 645SOL OW 3506 1.451 1.512 4.993 -0.0927 0.5603 0.0923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3509 645SOL HW1 3507 1.534 1.531 5.045 1.2773 -2.2990 -0.7952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3510 645SOL HW2 3508 1.371 1.538 5.047 1.3108 2.8105 1.2487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3511 646SOL OW 3509 0.333 0.361 5.037 0.6879 -0.2227 -0.2065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3512 646SOL HW1 3510 0.423 0.354 5.079 1.2322 -0.2674 -1.3312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3513 646SOL HW2 3511 0.263 0.367 5.108 1.6650 1.0061 0.6899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3514 647SOL OW 3512 1.544 0.581 4.420 0.1568 -0.6324 0.4854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3515 647SOL HW1 3513 1.539 0.600 4.322 0.5029 -0.2361 0.5462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3516 647SOL HW2 3514 1.463 0.620 4.465 0.8832 0.7883 0.6198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3517 648SOL OW 3515 0.112 1.589 4.088 -0.6317 -0.5619 -0.2075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3518 648SOL HW1 3516 0.115 1.599 4.187 0.8722 2.4769 -0.4618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3519 648SOL HW2 3517 0.101 1.492 4.065 0.1662 -1.5028 2.8852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3520 649SOL OW 3518 1.185 1.352 5.331 -0.2957 -0.1879 0.9598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3521 649SOL HW1 3519 1.243 1.272 5.323 -0.9053 -0.4848 -0.9673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3522 649SOL HW2 3520 1.091 1.324 5.352 0.0747 0.2616 3.5881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3523 650SOL OW 3521 0.371 1.314 4.126 -0.3329 0.2427 -0.0958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3524 650SOL HW1 3522 0.275 1.341 4.129 -0.2641 0.4485 2.0008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3525 650SOL HW2 3523 0.381 1.223 4.167 0.3359 0.1433 -0.4728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3526 651SOL OW 3524 0.174 0.971 4.600 0.0986 0.0534 -0.4125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3527 651SOL HW1 3525 0.212 0.878 4.599 -0.6371 -0.2508 -0.7699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3528 651SOL HW2 3526 0.190 1.013 4.690 -0.0840 -0.6370 -0.0499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3529 652SOL OW 3527 0.599 1.799 5.192 0.1435 -0.2786 -0.3385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3530 652SOL HW1 3528 0.514 1.835 5.232 -0.6257 -1.1978 -1.0704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3531 652SOL HW2 3529 0.676 1.854 5.221 -0.9152 1.7001 -1.0954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3532 653SOL OW 3530 0.689 1.031 3.989 -0.4686 0.4165 0.0067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3533 653SOL HW1 3531 0.723 1.051 3.897 1.0957 -0.8231 0.2747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3534 653SOL HW2 3532 0.739 1.086 4.056 1.0954 -1.3746 0.3999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3535 654SOL OW 3533 1.575 0.086 5.094 -0.0549 0.1790 0.2823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3536 654SOL HW1 3534 1.637 0.096 5.016 -1.6188 0.2229 -1.0057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3537 654SOL HW2 3535 1.570 -0.010 5.120 0.4975 0.1732 0.3582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3538 655SOL OW 3536 0.129 0.524 4.329 0.4580 -0.2543 0.3627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3539 655SOL HW1 3537 0.073 0.472 4.393 -3.2628 0.9695 -1.6022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3540 655SOL HW2 3538 0.192 0.582 4.380 -1.2514 -0.4484 2.8940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3541 656SOL OW 3539 1.966 1.747 3.880 0.7931 0.7984 -0.1856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3542 656SOL HW1 3540 2.014 1.768 3.966 -1.4430 0.2161 1.3144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3543 656SOL HW2 3541 1.924 1.830 3.845 -1.5924 0.4420 1.5415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3544 657SOL OW 3542 7.201 1.520 3.714 0.1073 -0.5705 -0.5054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3545 657SOL HW1 3543 7.250 1.436 3.690 1.5048 -0.0179 0.3198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3546 657SOL HW2 3544 7.153 1.506 3.801 -0.5570 -0.8503 -0.9083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3547 658SOL OW 3545 1.669 0.989 4.356 0.3528 0.0495 0.1349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3548 658SOL HW1 3546 1.736 0.916 4.344 -0.1299 -0.4301 0.3293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3549 658SOL HW2 3547 1.691 1.064 4.294 -0.7630 -1.4359 -2.2564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3550 659SOL OW 3548 1.686 1.231 4.119 0.3517 0.0655 -0.3093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3551 659SOL HW1 3549 1.764 1.169 4.124 -0.4042 -0.8246 1.2044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3552 659SOL HW2 3550 1.680 1.285 4.203 -1.2628 -0.6489 0.0659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3553 660SOL OW 3551 0.212 0.715 5.239 -0.3952 0.6067 0.4679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3554 660SOL HW1 3552 0.296 0.700 5.291 -0.7798 -1.3387 0.5959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3555 660SOL HW2 3553 0.224 0.683 5.145 -0.6826 1.2590 0.2024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3556 661SOL OW 3554 0.398 1.406 4.417 0.0316 0.5540 0.1739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3557 661SOL HW1 3555 0.386 1.307 4.418 -0.3723 0.5814 -0.7375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3558 661SOL HW2 3556 0.465 1.431 4.347 0.7541 0.8714 0.9639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3559 662SOL OW 3557 1.175 1.169 5.022 -0.1851 -0.5669 -0.0761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3560 662SOL HW1 3558 1.155 1.074 5.001 -1.2690 -0.0810 -1.3646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3561 662SOL HW2 3559 1.273 1.187 5.007 0.1969 -1.6461 0.9744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3562 663SOL OW 3560 0.636 0.085 4.159 -0.3691 -0.2983 0.6160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3563 663SOL HW1 3561 0.694 0.161 4.129 -3.2397 1.9727 0.4743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3564 663SOL HW2 3562 0.619 0.023 4.083 -1.1261 1.0778 -0.3734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3565 664SOL OW 3563 0.196 1.047 5.236 0.3180 0.1573 -0.1303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3566 664SOL HW1 3564 0.204 0.949 5.215 -0.0544 0.0156 0.3776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3567 664SOL HW2 3565 0.105 1.079 5.207 0.0004 0.0818 0.7683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3568 665SOL OW 3566 1.407 1.175 4.108 0.0356 -1.0620 -0.7716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3569 665SOL HW1 3567 1.371 1.224 4.028 -0.2397 0.7570 0.4032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3570 665SOL HW2 3568 1.507 1.181 4.108 -0.0110 -0.0276 -0.3923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3571 666SOL OW 3569 1.324 2.039 5.529 0.5490 -0.4487 -0.0402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3572 666SOL HW1 3570 1.358 2.084 5.447 1.0366 1.4461 1.1579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3573 666SOL HW2 3571 1.385 2.057 5.605 -0.4365 -1.3087 0.9933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3574 667SOL OW 3572 0.233 0.395 5.467 -0.3715 0.7022 0.0173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3575 667SOL HW1 3573 0.194 0.392 5.375 -0.9814 1.4999 0.2308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3576 667SOL HW2 3574 0.170 0.352 5.531 -0.9256 1.9452 0.3545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3577 668SOL OW 3575 1.295 1.392 4.525 0.3810 0.3424 0.2583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3578 668SOL HW1 3576 1.349 1.417 4.605 1.6698 1.3272 -0.8639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3579 668SOL HW2 3577 1.338 1.314 4.479 -0.0897 0.0809 0.2485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3580 669SOL OW 3578 1.622 1.828 4.277 -0.4484 0.1947 -0.9881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3581 669SOL HW1 3579 1.639 1.798 4.183 1.1386 1.0920 -1.0222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3582 669SOL HW2 3580 1.687 1.783 4.338 -1.1395 0.0060 -0.3816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3583 670SOL OW 3581 0.730 0.711 3.943 0.1883 -0.2505 -0.0566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3584 670SOL HW1 3582 0.759 0.761 4.024 -1.4345 -0.1817 0.5155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3585 670SOL HW2 3583 0.656 0.760 3.897 0.3921 -0.7984 -1.0204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3586 671SOL OW 3584 1.098 0.581 4.506 0.4934 0.3611 -0.2822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3587 671SOL HW1 3585 1.013 0.622 4.537 0.8727 0.5199 0.5629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3588 671SOL HW2 3586 1.093 0.482 4.518 0.1614 0.2959 -0.9053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3589 672SOL OW 3587 1.712 1.691 4.003 0.3905 0.8429 -0.1349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3590 672SOL HW1 3588 1.801 1.706 3.961 -0.0085 -0.0384 -1.3842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3591 672SOL HW2 3589 1.646 1.664 3.932 -0.3043 -0.7867 1.0483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3592 673SOL OW 3590 0.629 0.593 5.078 -0.4773 -0.0820 -0.6893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3593 673SOL HW1 3591 0.661 0.572 5.170 -0.0249 -0.4955 -0.9411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3594 673SOL HW2 3592 0.604 0.509 5.031 1.0231 -0.0562 -1.5774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3595 674SOL OW 3593 1.214 0.281 5.337 -0.9867 0.3948 -0.0215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3596 674SOL HW1 3594 1.230 0.331 5.423 -1.2366 1.8571 -0.7951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3597 674SOL HW2 3595 1.302 0.260 5.295 -0.8864 1.0352 -0.1488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3598 675SOL OW 3596 0.874 0.891 5.286 -0.4549 -0.3431 0.5391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3599 675SOL HW1 3597 0.916 0.810 5.246 1.0514 -0.3865 2.1099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3600 675SOL HW2 3598 0.896 0.971 5.229 -1.5981 -0.9240 -0.7822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3601 676SOL OW 3599 0.872 0.461 4.857 -0.3926 0.3519 0.3124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3602 676SOL HW1 3600 0.789 0.515 4.844 0.3112 1.6014 0.8385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3603 676SOL HW2 3601 0.880 0.395 4.783 -1.2047 1.0750 -0.4488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3604 677SOL OW 3602 1.086 0.652 3.992 -0.0357 0.3395 0.2003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3605 677SOL HW1 3603 1.074 0.751 3.996 -0.4892 0.2603 1.2151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3606 677SOL HW2 3604 1.015 0.613 3.934 -1.2126 0.4322 1.5118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3607 678SOL OW 3605 7.201 0.983 4.469 -0.3284 -0.0846 -0.1403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3608 678SOL HW1 3606 7.289 0.998 4.515 -0.9668 0.5009 0.9298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3609 678SOL HW2 3607 7.160 1.071 4.445 -0.0135 -0.3775 -1.8863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3610 679SOL OW 3608 7.121 2.056 5.456 -0.0350 0.3314 0.4750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3611 679SOL HW1 3609 7.160 2.119 5.523 -1.1832 0.9343 0.5930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3612 679SOL HW2 3610 7.045 2.006 5.496 -0.7353 0.6937 -0.3565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3613 680SOL OW 3611 0.820 0.272 3.746 0.0693 0.0819 -0.3292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3614 680SOL HW1 3612 0.891 0.211 3.711 0.1180 1.0198 -1.9353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3615 680SOL HW2 3613 0.734 0.256 3.696 -0.2797 0.4204 0.1522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3616 681SOL OW 3614 1.413 0.673 5.409 0.0131 0.0676 -0.4022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3617 681SOL HW1 3615 1.394 0.761 5.366 0.2875 0.1596 -0.3385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3618 681SOL HW2 3616 1.448 0.609 5.340 -1.5831 -0.4583 -0.7606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3619 682SOL OW 3617 1.165 1.154 4.218 0.0567 -0.5108 -0.3783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3620 682SOL HW1 3618 1.261 1.149 4.192 0.3872 2.8730 -0.1863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3621 682SOL HW2 3619 1.129 1.245 4.198 -3.1630 -1.6633 -0.4647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3622 683SOL OW 3620 0.417 0.096 4.615 -0.1375 -0.1314 -0.1694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3623 683SOL HW1 3621 0.426 0.137 4.706 -3.0491 0.4451 -0.0367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3624 683SOL HW2 3622 0.440 0.164 4.545 2.9183 -0.8134 0.0273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3625 684SOL OW 3623 1.027 1.644 4.260 0.3580 0.0491 -0.2039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3626 684SOL HW1 3624 0.945 1.667 4.208 1.9452 -0.1004 -2.9560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3627 684SOL HW2 3625 1.077 1.728 4.280 -0.3639 0.1336 1.4230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3628 685SOL OW 3626 0.371 1.836 4.705 -0.1492 0.4389 0.1510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3629 685SOL HW1 3627 0.389 1.739 4.693 -1.2537 0.0017 1.6621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3630 685SOL HW2 3628 0.458 1.885 4.712 0.4192 -0.4162 -0.7324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3631 686SOL OW 3629 1.775 0.982 4.622 -0.2920 0.1496 0.0230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3632 686SOL HW1 3630 1.733 0.999 4.533 1.3369 1.0962 -0.5943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3633 686SOL HW2 3631 1.710 1.007 4.695 -1.3198 0.1783 -0.8817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3634 687SOL OW 3632 1.227 1.520 5.124 -0.2754 0.3081 0.1772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3635 687SOL HW1 3633 1.234 1.446 5.191 -0.1573 -0.2168 -0.4016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3636 687SOL HW2 3634 1.132 1.550 5.118 -0.3508 0.1024 0.3137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3637 688SOL OW 3635 0.446 0.761 3.791 -0.2734 -0.3273 -0.2929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3638 688SOL HW1 3636 0.455 0.833 3.722 0.3357 -0.5468 -0.4502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3639 688SOL HW2 3637 0.466 0.672 3.749 -2.8944 -0.8652 -0.6021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3640 689SOL OW 3638 1.384 0.941 4.387 0.2445 0.5559 0.5118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3641 689SOL HW1 3639 1.344 0.862 4.434 -1.8398 0.4380 -1.3037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3642 689SOL HW2 3640 1.478 0.921 4.361 0.1049 -0.8991 1.0627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3643 690SOL OW 3641 0.431 1.146 5.674 0.2060 -0.2805 0.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3644 690SOL HW1 3642 0.417 1.095 5.589 -0.4679 -1.0172 0.5710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3645 690SOL HW2 3643 0.354 1.209 5.687 0.1070 -0.4511 0.2846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3646 691SOL OW 3644 1.228 1.744 4.046 -0.4502 -0.8757 0.8059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3647 691SOL HW1 3645 1.137 1.774 4.074 -0.8671 -0.5767 -0.8117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3648 691SOL HW2 3646 1.222 1.696 3.959 1.0352 -0.1951 0.2960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3649 692SOL OW 3647 0.090 0.382 5.207 0.5066 -0.0026 -0.1819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3650 692SOL HW1 3648 0.028 0.451 5.169 -0.3636 -0.0709 1.0854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3651 692SOL HW2 3649 0.043 0.294 5.213 1.3526 -0.5300 -0.9930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3652 693SOL OW 3650 1.717 1.294 3.836 0.0933 0.1831 -0.5560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3653 693SOL HW1 3651 1.684 1.297 3.930 -0.2885 -0.1396 -0.6743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3654 693SOL HW2 3652 1.769 1.210 3.821 -0.3355 -0.0470 -0.7850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3655 694SOL OW 3653 0.390 1.723 4.111 -0.6517 -0.0900 0.2427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3656 694SOL HW1 3654 0.324 1.655 4.145 -1.9528 1.1040 0.1693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3657 694SOL HW2 3655 0.452 1.678 4.046 0.5002 -1.9096 2.4500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3658 695SOL OW 3656 1.283 0.205 4.353 0.2266 0.3602 -0.0835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3659 695SOL HW1 3657 1.335 0.154 4.286 0.7733 2.2974 -1.2191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3660 695SOL HW2 3658 1.345 0.256 4.412 -0.2937 -0.3719 1.1369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3661 696SOL OW 3659 0.283 1.867 4.985 -0.3998 0.5241 -0.4132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3662 696SOL HW1 3660 0.257 1.774 5.013 -1.6491 1.2500 1.0181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3663 696SOL HW2 3661 0.321 1.865 4.893 -1.0033 -1.3204 -0.6667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3664 697SOL OW 3662 0.827 1.759 4.721 0.7768 -0.4870 0.0066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3665 697SOL HW1 3663 0.789 1.673 4.755 -0.4464 -0.2820 -0.7869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3666 697SOL HW2 3664 0.849 1.750 4.624 -1.2220 0.6470 -0.6103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3667 698SOL OW 3665 0.240 0.397 4.090 -0.8883 0.3586 0.4594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3668 698SOL HW1 3666 0.311 0.338 4.126 -0.2710 -0.1772 -1.5118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3669 698SOL HW2 3667 0.211 0.462 4.160 1.1550 0.2347 1.4754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3670 699SOL OW 3668 1.492 0.253 5.280 0.6804 0.5790 -0.0973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3671 699SOL HW1 3669 1.529 0.213 5.364 1.3238 0.9094 -0.2192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3672 699SOL HW2 3670 1.505 0.189 5.204 2.9127 1.4793 -0.5702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3673 700SOL OW 3671 0.713 0.053 3.539 0.5232 -0.4197 0.3910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3674 700SOL HW1 3672 0.748 -0.037 3.513 -1.5822 -1.2635 0.3347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3675 700SOL HW2 3673 0.718 0.115 3.461 1.5703 -0.5897 0.3058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3676 701SOL OW 3674 0.661 0.293 5.409 -0.5267 0.0822 0.1542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3677 701SOL HW1 3675 0.742 0.235 5.404 -0.1681 0.6229 -0.4048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3678 701SOL HW2 3676 0.616 0.280 5.497 1.1592 1.0944 1.2015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3679 702SOL OW 3677 0.622 1.557 4.756 -0.3316 -0.2850 -0.0964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3680 702SOL HW1 3678 0.528 1.554 4.725 0.0095 0.6423 -1.2921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3681 702SOL HW2 3679 0.684 1.538 4.679 0.4420 -2.2546 0.9423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3682 703SOL OW 3680 1.245 0.630 5.126 -0.1635 -0.2489 0.7043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3683 703SOL HW1 3681 1.332 0.582 5.136 -0.8531 -1.7007 0.0708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3684 703SOL HW2 3682 1.260 0.717 5.079 1.0332 -0.1288 1.2625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3685 704SOL OW 3683 0.732 1.534 4.507 -0.4485 0.2104 0.5882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3686 704SOL HW1 3684 0.757 1.454 4.452 -1.0697 -0.8829 1.8284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3687 704SOL HW2 3685 0.687 1.602 4.449 1.5733 0.4252 -0.8238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3688 705SOL OW 3686 0.722 0.417 4.465 -0.0173 -0.5293 -0.4988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3689 705SOL HW1 3687 0.774 0.434 4.382 -0.0322 0.4710 -0.3138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3690 705SOL HW2 3688 0.777 0.362 4.528 1.0627 1.0115 -0.0620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3691 706SOL OW 3689 0.542 7.185 3.961 -0.3173 0.0326 -0.1235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3692 706SOL HW1 3690 0.548 7.237 3.876 -0.5625 -0.6061 -0.5437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3693 706SOL HW2 3691 0.539 7.087 3.940 0.9197 -0.2083 0.6802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3694 707SOL OW 3692 1.496 1.104 3.804 0.0687 -0.8159 0.0202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3695 707SOL HW1 3693 1.437 1.047 3.860 -3.0589 1.3295 -0.7877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3696 707SOL HW2 3694 1.491 1.199 3.836 2.8213 -0.4475 -0.3974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3697 708SOL OW 3695 0.344 7.140 3.662 0.2821 -0.3305 -0.8168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3698 708SOL HW1 3696 0.390 7.214 3.711 -0.5833 -1.1478 1.3692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3699 708SOL HW2 3697 0.404 7.060 3.657 0.2267 -0.3776 -0.7390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3700 709SOL OW 3698 0.825 0.265 4.036 0.0106 0.1565 0.0804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3701 709SOL HW1 3699 0.809 0.247 3.939 -0.3982 2.1046 -0.2559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3702 709SOL HW2 3700 0.912 0.313 4.047 1.6764 -2.8206 1.0592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3703 710SOL OW 3701 0.969 0.657 5.139 -0.4590 -0.2104 0.0695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3704 710SOL HW1 3702 0.919 0.591 5.195 0.3543 -0.3068 0.6925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3705 710SOL HW2 3703 1.067 0.643 5.149 -0.2449 -1.4657 -2.8429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3706 711SOL OW 3704 1.066 1.541 4.506 -0.4066 0.0786 0.6104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3707 711SOL HW1 3705 1.051 1.582 4.416 -1.3641 -0.4477 0.5180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3708 711SOL HW2 3706 1.153 1.492 4.505 -0.0943 0.6191 0.1790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3709 712SOL OW 3707 0.380 1.132 4.451 -0.1898 -0.2968 0.3664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3710 712SOL HW1 3708 0.347 1.101 4.540 -0.6151 1.4150 0.8530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3711 712SOL HW2 3709 0.324 1.092 4.378 0.3881 -1.9864 0.8237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3712 713SOL OW 3710 1.133 1.902 4.308 -0.2843 0.0826 -0.4069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3713 713SOL HW1 3711 1.213 1.948 4.269 -1.2950 0.1249 -2.5876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3714 713SOL HW2 3712 1.090 1.962 4.376 1.5764 -0.0280 0.9599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3715 714SOL OW 3713 1.083 0.371 3.556 0.3582 -0.2750 0.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3716 714SOL HW1 3714 1.031 0.456 3.566 0.8575 -0.1252 1.8494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3717 714SOL HW2 3715 1.180 0.393 3.542 0.5352 -0.5236 0.8353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3718 715SOL OW 3716 7.128 0.526 5.089 0.4058 -0.0544 0.3904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3719 715SOL HW1 3717 7.111 0.526 5.187 1.8878 0.2009 0.6712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3720 715SOL HW2 3718 7.099 0.614 5.051 2.1202 0.8656 1.0735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3721 716SOL OW 3719 0.456 0.171 4.865 -0.5327 0.5931 -0.5481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3722 716SOL HW1 3720 0.429 0.077 4.884 0.4204 0.5567 0.7983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3723 716SOL HW2 3721 0.398 0.233 4.919 0.7387 0.6010 0.8868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3724 717SOL OW 3722 0.906 0.554 4.240 -0.1501 0.1302 0.6452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3725 717SOL HW1 3723 0.894 0.651 4.219 -0.2240 -0.4398 -2.5735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3726 717SOL HW2 3724 0.966 0.513 4.171 -1.7170 -2.4963 0.6961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3727 718SOL OW 3725 1.026 0.299 4.394 0.3101 -0.1782 0.2825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3728 718SOL HW1 3726 0.988 0.342 4.313 -0.5199 -1.0664 0.1823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3729 718SOL HW2 3727 1.117 0.262 4.373 0.2276 -0.1288 -0.1575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3730 719SOL OW 3728 1.481 1.182 4.488 0.0375 -0.1418 0.0405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3731 719SOL HW1 3729 1.459 1.100 4.436 -0.2752 -0.7822 1.1441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3732 719SOL HW2 3730 1.562 1.226 4.449 0.3457 -1.0945 -0.4248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3733 720SOL OW 3731 1.322 0.701 4.544 -0.2315 -0.2774 -0.4002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3734 720SOL HW1 3732 1.234 0.655 4.533 -1.0426 0.6819 1.5761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3735 720SOL HW2 3733 1.350 0.698 4.640 0.1778 2.3385 -0.3469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3736 721SOL OW 3734 1.880 0.813 4.300 -0.2656 0.1290 -0.7288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3737 721SOL HW1 3735 1.912 0.778 4.388 -0.2958 -1.0886 -1.1702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3738 721SOL HW2 3736 1.885 0.739 4.232 -0.5828 0.9458 -1.6583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3739 722SOL OW 3737 0.526 1.499 3.984 0.3669 -0.2518 0.8236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3740 722SOL HW1 3738 0.472 1.449 4.052 0.1190 0.0116 0.8228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3741 722SOL HW2 3739 0.609 1.447 3.963 0.7492 -0.0487 1.7820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3742 723SOL OW 3740 1.713 1.320 4.394 -0.0926 0.1135 -0.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3743 723SOL HW1 3741 1.806 1.285 4.396 -0.4684 -1.1858 -1.9898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3744 723SOL HW2 3742 1.707 1.405 4.446 1.5684 -1.0883 2.2479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3745 724SOL OW 3743 1.470 0.613 3.724 -0.8568 -0.1909 -0.4314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3746 724SOL HW1 3744 1.412 0.582 3.799 -0.9084 2.7279 0.8945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3747 724SOL HW2 3745 1.564 0.619 3.755 -0.6019 -0.4722 -1.1299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3748 725SOL OW 3746 0.521 0.079 3.742 0.4609 0.6569 0.6062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3749 725SOL HW1 3747 0.576 0.096 3.660 -2.9135 0.5464 -1.8889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3750 725SOL HW2 3748 0.483 0.166 3.775 0.1249 0.4436 0.7794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3751 726SOL OW 3749 1.607 1.247 5.250 -0.6183 -0.7275 -0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3752 726SOL HW1 3750 1.623 1.150 5.270 -0.7034 -0.6268 0.4089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3753 726SOL HW2 3751 1.690 1.299 5.270 -1.1204 -0.4309 1.2747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3754 727SOL OW 3752 1.017 1.425 4.922 0.1080 -0.4951 0.1556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3755 727SOL HW1 3753 0.922 1.423 4.952 -0.0879 0.5771 -0.3601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3756 727SOL HW2 3754 1.071 1.362 4.978 -0.7716 -0.6206 0.8789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3757 728SOL OW 3755 1.668 1.557 5.209 0.0882 -0.1814 0.1554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3758 728SOL HW1 3756 1.711 1.640 5.172 -1.0305 0.2539 -0.2444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3759 728SOL HW2 3757 1.736 1.486 5.220 0.8182 0.3119 -0.9428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3760 729SOL OW 3758 0.973 1.167 4.749 0.1570 -0.4498 -0.1455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3761 729SOL HW1 3759 1.023 1.239 4.798 0.6531 -0.9597 0.1031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3762 729SOL HW2 3760 1.011 1.156 4.657 1.7244 -2.0638 0.6422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3763 730SOL OW 3761 1.555 1.079 4.738 0.1432 0.7661 -0.0159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3764 730SOL HW1 3762 1.543 1.133 4.821 2.3460 0.0485 0.8541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3765 730SOL HW2 3763 1.511 1.126 4.661 -2.7023 1.0206 1.6268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3766 731SOL OW 3764 0.721 0.111 4.960 -0.0696 -0.0979 0.4851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3767 731SOL HW1 3765 0.648 0.155 4.907 0.5979 -0.8444 -1.0963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3768 731SOL HW2 3766 0.782 0.182 4.995 -0.9189 0.4579 0.8971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3769 732SOL OW 3767 0.903 1.233 5.370 0.0673 0.1723 -0.0874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3770 732SOL HW1 3768 0.809 1.254 5.395 -0.0459 0.0285 -0.3765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3771 732SOL HW2 3769 0.903 1.181 5.284 0.4428 0.6917 -0.4050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3772 733SOL OW 3770 0.785 1.127 4.237 0.1087 0.0098 0.1179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3773 733SOL HW1 3771 0.738 1.100 4.321 -1.0687 2.0821 0.2215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3774 733SOL HW2 3772 0.837 1.211 4.254 1.6255 -0.7271 -0.7194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3775 734SOL OW 3773 0.415 0.867 5.017 -0.0729 -0.0674 -0.0711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3776 734SOL HW1 3774 0.469 0.889 5.098 0.6111 -0.3700 -0.4368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3777 734SOL HW2 3775 0.405 0.768 5.008 1.5143 -0.1480 -1.3954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3778 735SOL OW 3776 1.126 0.538 4.880 0.1807 -0.1156 0.1763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3779 735SOL HW1 3777 1.143 0.592 4.962 -0.4451 2.1869 -1.1288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3780 735SOL HW2 3778 1.030 0.511 4.876 0.1946 -0.1653 0.1796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3781 736SOL OW 3779 0.069 1.549 5.272 0.3958 -0.6615 -0.1522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3782 736SOL HW1 3780 0.147 1.577 5.215 -0.0589 0.3287 -0.3018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3783 736SOL HW2 3781 0.103 1.524 5.363 0.8393 0.3292 -0.0290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3784 737SOL OW 3782 0.398 0.964 3.973 0.1830 -0.0145 -0.2725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3785 737SOL HW1 3783 0.489 1.003 3.987 -0.5281 2.6425 -2.2017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3786 737SOL HW2 3784 0.406 0.874 3.929 1.8456 -0.4141 0.7632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3787 738SOL OW 3785 0.436 0.367 4.469 0.2215 -0.1962 -0.4902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3788 738SOL HW1 3786 0.399 0.345 4.379 1.6468 -0.1685 -1.1155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3789 738SOL HW2 3787 0.525 0.411 4.458 -0.4830 1.6990 0.8761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3790 739SOL OW 3788 1.188 1.434 4.144 -0.7986 -0.6739 0.4489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3791 739SOL HW1 3789 1.279 1.474 4.131 -0.7449 -1.0839 -0.4934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3792 739SOL HW2 3790 1.132 1.496 4.199 0.7976 -1.4979 3.1833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3793 740SOL OW 3791 1.131 1.627 4.758 -0.0703 0.1177 0.2600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3794 740SOL HW1 3792 1.089 1.561 4.821 -1.0240 -0.5873 -1.0873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3795 740SOL HW2 3793 1.086 1.622 4.669 0.2590 2.1722 -0.0578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3796 741SOL OW 3794 1.485 0.658 4.169 0.1195 0.1435 0.1606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3797 741SOL HW1 3795 1.388 0.648 4.192 0.3043 -0.8170 0.5772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3798 741SOL HW2 3796 1.496 0.727 4.097 -0.8248 0.5712 0.4152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3799 742SOL OW 3797 0.231 1.587 5.035 0.2131 -0.3462 -0.0155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3800 742SOL HW1 3798 0.206 1.552 4.945 -1.3068 1.6225 -0.4234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3801 742SOL HW2 3799 0.331 1.582 5.047 0.3680 -1.2668 -1.5157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3802 743SOL OW 3800 0.444 0.733 5.380 0.1451 0.2776 0.2917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3803 743SOL HW1 3801 0.516 0.773 5.323 -1.5468 0.5322 -1.8128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3804 743SOL HW2 3802 0.483 0.658 5.435 3.1472 3.7257 3.4013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3805 744SOL OW 3803 1.644 0.963 5.255 0.0374 -0.3119 0.0406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3806 744SOL HW1 3804 1.548 0.941 5.242 -0.1360 0.2826 0.2706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3807 744SOL HW2 3805 1.697 0.928 5.178 -0.5137 0.3126 -0.6403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3808 745SOL OW 3806 0.865 0.150 5.471 0.1793 -0.2982 0.4064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3809 745SOL HW1 3807 0.935 0.211 5.511 -0.5094 -0.1940 1.5098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3810 745SOL HW2 3808 0.901 0.058 5.464 1.5095 0.3293 -1.9959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3811 746SOL OW 3809 0.430 0.213 5.579 -0.5196 -0.3901 0.6578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3812 746SOL HW1 3810 0.406 0.122 5.546 -0.0700 -0.0428 -0.6936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3813 746SOL HW2 3811 0.390 0.282 5.519 0.5858 0.2661 0.6460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3814 747SOL OW 3812 0.259 1.035 4.860 0.2823 0.5038 0.7079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3815 747SOL HW1 3813 0.336 1.095 4.843 -0.5094 1.2838 -0.2834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3816 747SOL HW2 3814 0.288 0.958 4.916 2.0373 0.2189 -0.5059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3817 748SOL OW 3815 0.876 0.859 4.442 0.3774 -0.3991 0.1510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3818 748SOL HW1 3816 0.870 0.774 4.494 0.1185 -0.1940 0.4555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3819 748SOL HW2 3817 0.949 0.851 4.373 0.6452 -0.7113 0.4696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3820 749SOL OW 3818 1.311 0.478 3.912 0.2091 -0.6398 -0.3367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3821 749SOL HW1 3819 1.328 0.423 3.994 0.3593 -1.0018 -0.6101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3822 749SOL HW2 3820 1.226 0.530 3.924 1.2353 0.8745 0.8811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3823 750SOL OW 3821 0.178 0.116 4.992 0.5108 -0.2785 0.1425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3824 750SOL HW1 3822 0.130 0.140 5.076 2.7889 0.2893 1.3794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3825 750SOL HW2 3823 0.233 0.034 5.007 1.5210 0.2473 -0.5332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3826 751SOL OW 3824 7.147 1.434 5.078 -0.1895 0.2757 -0.1514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3827 751SOL HW1 3825 7.054 1.466 5.099 -0.0942 -0.1674 1.0289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3828 751SOL HW2 3826 7.213 1.485 5.134 0.2930 0.6536 -1.0521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3829 752SOL OW 3827 0.620 0.807 4.824 0.4623 -0.0808 0.1755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3830 752SOL HW1 3828 0.591 0.835 4.733 -0.5481 -1.3573 0.0837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3831 752SOL HW2 3829 0.556 0.843 4.892 1.0218 0.5786 0.3716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3832 753SOL OW 3830 1.738 0.969 5.500 -0.2223 0.3584 0.1097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3833 753SOL HW1 3831 1.701 0.963 5.407 1.6481 0.2111 -0.6820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3834 753SOL HW2 3832 1.669 0.937 5.565 -1.3547 -0.1662 -1.2766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3835 754SOL OW 3833 0.216 0.025 4.231 0.5323 -0.3269 0.4032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3836 754SOL HW1 3834 0.191 -0.048 4.167 -0.7587 -0.2838 0.8289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3837 754SOL HW2 3835 0.133 0.059 4.276 0.9132 2.2906 -0.7031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3838 755SOL OW 3836 1.592 0.411 4.059 -0.3520 -0.3266 0.0919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3839 755SOL HW1 3837 1.678 0.387 4.105 0.4285 0.1673 -1.0727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3840 755SOL HW2 3838 1.557 0.497 4.097 0.4443 0.2339 -0.4172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3841 756SOL OW 3839 0.854 0.671 4.615 -0.0431 0.0645 -0.0096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3842 756SOL HW1 3840 0.851 0.711 4.706 0.4649 0.4779 -0.1708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3843 756SOL HW2 3841 0.804 0.584 4.615 0.4841 -0.2511 0.8183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3844 757SOL OW 3842 0.953 1.596 5.398 -0.5195 -0.2671 -0.3476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3845 757SOL HW1 3843 1.029 1.648 5.438 0.2202 -0.8630 -0.9537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3846 757SOL HW2 3844 0.963 1.593 5.299 -0.7928 -1.1807 -0.3591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3847 758SOL OW 3845 1.860 1.397 5.266 -0.3164 0.6549 0.3558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3848 758SOL HW1 3846 1.924 1.376 5.191 -0.4256 -1.2695 0.7428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3849 758SOL HW2 3847 1.911 1.412 5.350 -0.3089 0.3134 0.4134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3850 759SOL OW 3848 0.318 0.909 5.551 0.0739 0.1726 -0.0479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3851 759SOL HW1 3849 0.324 0.864 5.640 -1.7913 -1.2170 -0.5581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3852 759SOL HW2 3850 0.347 0.845 5.479 -0.5079 0.5179 -0.6075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3853 760SOL OW 3851 1.521 0.301 3.829 -0.0914 -1.3601 -0.0544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3854 760SOL HW1 3852 1.426 0.326 3.807 0.5727 0.8391 -0.6516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3855 760SOL HW2 3853 1.551 0.352 3.909 2.0087 1.7880 -2.5802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3856 761SOL OW 3854 1.378 0.861 3.688 -0.0174 -0.7000 -0.3934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3857 761SOL HW1 3855 1.384 0.761 3.697 -0.3345 -0.8350 -1.4844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3858 761SOL HW2 3856 1.367 0.884 3.591 -0.2244 0.3838 -0.1163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3859 762SOL OW 3857 0.916 1.338 4.351 -0.5806 -0.3239 0.2349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3860 762SOL HW1 3858 0.957 1.251 4.376 -0.5882 -0.3447 0.1756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3861 762SOL HW2 3859 0.953 1.411 4.409 1.9176 0.2064 -1.8681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3862 763SOL OW 3860 0.324 0.730 4.589 0.1719 -0.1018 0.2939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3863 763SOL HW1 3861 0.410 0.756 4.544 -0.4209 -1.1458 -1.5449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3864 763SOL HW2 3862 0.335 0.640 4.633 0.4175 0.4124 1.3146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3865 764SOL OW 3863 0.365 0.478 4.709 -0.4967 0.4713 -0.1003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3866 764SOL HW1 3864 0.315 0.420 4.773 -1.6065 1.8608 0.3306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3867 764SOL HW2 3865 0.388 0.425 4.627 -1.5591 -0.5432 0.2367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3868 765SOL OW 3866 0.981 0.409 5.298 -0.6897 0.3518 -0.1803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3869 765SOL HW1 3867 0.934 0.405 5.386 -0.9529 1.1490 -0.2753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3870 765SOL HW2 3868 1.079 0.396 5.313 -0.7764 0.1016 0.1876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3871 766SOL OW 3869 0.883 0.288 5.070 0.0160 0.2787 0.0389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3872 766SOL HW1 3870 0.923 0.322 5.155 0.3741 0.0031 -0.0157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3873 766SOL HW2 3871 0.888 0.360 5.000 -0.7976 0.7014 0.4067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3874 767SOL OW 3872 7.225 0.960 3.797 -0.5989 -0.0220 0.0607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3875 767SOL HW1 3873 7.178 0.963 3.708 1.6826 -1.5791 -1.2863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3876 767SOL HW2 3874 7.244 0.865 3.822 0.0721 0.4655 1.5303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3877 768SOL OW 3875 0.130 1.799 4.533 -0.3292 -0.4196 -0.8380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3878 768SOL HW1 3876 0.068 1.733 4.576 0.4833 -1.2454 -0.8979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3879 768SOL HW2 3877 0.219 1.795 4.579 -0.0559 0.1300 -1.3085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3880 769SOL OW 3878 0.379 1.565 4.651 0.0013 -0.6333 -0.1336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3881 769SOL HW1 3879 0.308 1.525 4.708 -0.1715 1.1112 0.9261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3882 769SOL HW2 3880 0.403 1.501 4.578 -0.7851 -2.3228 1.0297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3883 770SOL OW 3881 0.864 0.770 4.898 -0.0617 -0.4035 -0.2632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3884 770SOL HW1 3882 0.863 0.714 4.980 -2.0115 -1.0661 -0.7071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3885 770SOL HW2 3883 0.773 0.773 4.857 0.5214 1.1402 -1.5861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3886 771SOL OW 3884 7.163 0.362 4.877 -0.9631 -0.2636 0.0200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3887 771SOL HW1 3885 7.228 0.287 4.874 -0.1975 0.4116 -0.7869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3888 771SOL HW2 3886 7.167 0.407 4.966 0.1293 0.1536 -0.2343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3889 772SOL OW 3887 0.031 0.766 5.475 0.5414 0.2274 0.4325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3890 772SOL HW1 3888 0.087 0.762 5.559 1.1076 -1.3452 0.0293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3891 772SOL HW2 3889 0.092 0.766 5.395 -0.0063 0.1080 0.0117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3892 773SOL OW 3890 1.378 0.892 5.244 -0.4510 0.6268 0.2031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3893 773SOL HW1 3891 1.337 0.979 5.271 -0.7832 0.7489 -0.6507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3894 773SOL HW2 3892 1.345 0.866 5.153 1.9702 1.1324 -0.9065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3895 774SOL OW 3893 0.891 0.513 3.836 1.0763 -0.9547 -0.4968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3896 774SOL HW1 3894 0.849 0.429 3.803 -2.2759 -0.1190 1.1781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3897 774SOL HW2 3895 0.822 0.569 3.881 3.8582 1.1774 1.4862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3898 775SOL OW 3896 1.414 0.626 4.782 -1.0550 0.2657 0.1254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3899 775SOL HW1 3897 1.329 0.573 4.785 -0.6083 -0.4221 1.6571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3900 775SOL HW2 3898 1.491 0.563 4.769 -0.5496 0.5499 1.5467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3901 776SOL OW 3899 0.112 1.514 5.550 0.1024 0.0210 -0.2219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3902 776SOL HW1 3900 0.019 1.492 5.581 -0.3073 1.5630 -0.2700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3903 776SOL HW2 3901 0.178 1.469 5.610 -0.6868 1.1700 1.6323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3904 777SOL OW 3902 0.640 0.535 4.770 0.4612 1.3600 0.5535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3905 777SOL HW1 3903 0.553 0.492 4.746 0.6592 0.8587 0.7169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3906 777SOL HW2 3904 0.625 0.632 4.792 0.1020 1.5284 -0.3958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3907 778SOL OW 3905 0.966 1.613 5.131 0.0705 -0.4731 0.4546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3908 778SOL HW1 3906 0.899 1.576 5.066 -0.7974 0.2761 0.9062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3909 778SOL HW2 3907 0.982 1.709 5.109 2.1430 -0.9998 -0.5785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3910 779SOL OW 3908 0.422 0.307 3.826 -0.0816 -0.0218 -0.0159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3911 779SOL HW1 3909 0.417 0.351 3.916 2.4852 1.5284 -0.5262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3912 779SOL HW2 3910 0.415 0.378 3.755 -1.0924 -1.1095 -1.0318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3913 780SOL OW 3911 7.053 0.943 5.439 0.1139 0.1728 0.1382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3914 780SOL HW1 3912 7.141 0.902 5.463 0.9782 0.2425 -2.5764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3915 780SOL HW2 3913 7.026 0.912 5.348 -2.5890 0.3493 0.8217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3916 781SOL OW 3914 1.066 0.953 4.904 -0.0763 -0.4360 0.0375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3917 781SOL HW1 3915 0.994 0.884 4.914 -0.6232 0.1566 0.2676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3918 781SOL HW2 3916 1.035 1.024 4.840 0.5725 -0.5158 -0.3743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3919 782SOL OW 3917 1.423 0.855 3.969 0.1470 1.3851 0.6728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3920 782SOL HW1 3918 1.328 0.882 3.980 -0.0971 1.9659 -2.0197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3921 782SOL HW2 3919 1.444 0.846 3.871 2.9037 1.4697 1.1566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3922 783SOL OW 3920 1.655 1.818 4.715 0.1463 0.3120 0.0093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3923 783SOL HW1 3921 1.604 1.856 4.638 0.3042 0.1253 -0.1866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3924 783SOL HW2 3922 1.597 1.754 4.765 -0.0334 0.6100 0.1846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3925 784SOL OW 3923 1.282 1.903 4.723 0.0630 0.0422 -0.4789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3926 784SOL HW1 3924 1.341 1.903 4.643 0.2581 -0.7500 -0.3465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3927 784SOL HW2 3925 1.294 1.817 4.773 -1.0253 -0.0256 -0.3167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3928 785SOL OW 3926 7.214 1.388 4.793 -0.1273 0.7041 0.1057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3929 785SOL HW1 3927 7.185 1.424 4.882 -0.3120 1.6682 -0.3308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3930 785SOL HW2 3928 7.139 1.335 4.753 0.3232 -0.6227 0.9794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3931 786SOL OW 3929 0.676 1.582 5.359 -0.1053 -0.1805 0.2832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3932 786SOL HW1 3930 0.645 1.652 5.295 -0.2852 -1.2666 -0.8639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3933 786SOL HW2 3931 0.774 1.591 5.374 -0.2399 0.7242 0.6967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3934 787SOL OW 3932 1.839 0.325 4.183 -0.5727 -0.3376 0.3435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3935 787SOL HW1 3933 1.884 0.353 4.098 0.3695 -0.3985 0.8082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3936 787SOL HW2 3934 1.873 0.235 4.210 -1.3568 -0.6150 0.4501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3937 788SOL OW 3935 1.416 1.569 4.139 -0.0081 0.0108 -0.0405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3938 788SOL HW1 3936 1.495 1.577 4.078 0.2998 -0.2877 0.3119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3939 788SOL HW2 3937 1.346 1.634 4.111 -0.0575 -0.4364 -0.9952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3940 789SOL OW 3938 7.077 1.731 5.559 0.3085 -0.1130 0.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3941 789SOL HW1 3939 7.085 1.658 5.627 -0.0537 0.9985 1.3399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3942 789SOL HW2 3940 7.167 1.771 5.543 0.0737 1.1322 1.6414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3943 790SOL OW 3941 1.086 0.913 4.259 0.4693 -0.0500 0.8055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3944 790SOL HW1 3942 1.172 0.872 4.290 0.3252 -1.3942 -0.4696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3945 790SOL HW2 3943 1.102 1.009 4.238 1.5010 -0.1091 1.2148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3946 791SOL OW 3944 0.777 1.398 5.046 0.3376 0.0728 0.4476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3947 791SOL HW1 3945 0.783 1.398 5.146 -1.9803 -2.0672 0.6888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3948 791SOL HW2 3946 0.682 1.382 5.019 0.8994 0.6940 -2.1367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3949 792SOL OW 3947 0.689 1.705 3.882 -0.1710 -0.1347 -0.7405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3950 792SOL HW1 3948 0.692 1.730 3.785 -0.1845 0.9843 -0.4634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3951 792SOL HW2 3949 0.613 1.641 3.897 -0.9060 0.5832 -1.2767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3952 793SOL OW 3950 1.724 1.830 5.127 -0.1676 -0.9652 -0.0610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3953 793SOL HW1 3951 1.777 1.836 5.042 -0.3824 2.1272 -0.0940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3954 793SOL HW2 3952 1.636 1.877 5.114 -0.0225 -0.0518 1.9555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3955 794SOL OW 3953 1.935 0.222 4.483 0.3043 -0.2043 -0.0874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3956 794SOL HW1 3954 1.888 0.149 4.433 0.8004 0.0349 -0.9309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3957 794SOL HW2 3955 1.877 0.304 4.484 1.0007 0.3682 -1.8827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3958 795SOL OW 3956 0.001 0.095 4.444 -0.2900 0.1316 0.4495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3959 795SOL HW1 3957 0.049 0.075 4.530 1.2821 3.2001 0.4154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3960 795SOL HW2 3958 -0.073 0.160 4.462 -0.5166 0.1051 -0.4007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3961 796SOL OW 3959 1.239 1.577 3.837 -0.3981 -0.4522 0.0085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3962 796SOL HW1 3960 1.243 1.479 3.860 -0.1874 -0.3092 0.5940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3963 796SOL HW2 3961 1.193 1.588 3.749 1.7639 -1.2812 -1.3116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3964 797SOL OW 3962 0.915 1.101 5.130 -0.2075 0.0596 0.3094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3965 797SOL HW1 3963 1.004 1.140 5.107 -0.7380 0.0381 -2.1276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3966 797SOL HW2 3964 0.854 1.110 5.051 -1.7483 -1.7183 1.2181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3967 798SOL OW 3965 1.078 0.911 3.961 0.0035 0.1089 0.4879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3968 798SOL HW1 3966 1.111 0.985 3.903 1.5251 -0.8163 0.1023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3969 798SOL HW2 3967 0.981 0.923 3.979 -0.0509 1.5085 -0.5795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3970 799SOL OW 3968 1.510 1.585 3.841 -0.0819 0.0770 0.0197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3971 799SOL HW1 3969 1.412 1.602 3.830 0.1757 1.6885 -0.0314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3972 799SOL HW2 3970 1.542 1.528 3.765 -0.9580 -0.4552 0.0295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3973 800SOL OW 3971 0.364 1.253 5.288 0.2667 -0.1580 0.1270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3974 800SOL HW1 3972 0.298 1.313 5.333 -1.4603 -1.8178 -0.0495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3975 800SOL HW2 3973 0.319 1.166 5.265 2.2186 -0.9035 -1.0911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3976 801SOL OW 3974 1.436 1.223 4.988 -0.6638 -0.1752 0.3233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3977 801SOL HW1 3975 1.519 1.191 5.034 1.7717 2.4048 -1.8994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3978 801SOL HW2 3976 1.423 1.320 5.005 -2.4463 -0.2229 -0.5417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3979 802SOL OW 3977 0.984 1.112 4.478 0.8553 -0.0441 0.8039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3980 802SOL HW1 3978 0.933 1.026 4.489 3.3405 -1.5494 1.2670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3981 802SOL HW2 3979 1.070 1.094 4.431 1.3755 2.2395 0.7935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3982 803SOL OW 3980 0.893 0.295 4.632 -0.0538 0.4914 0.0277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3983 803SOL HW1 3981 0.964 0.313 4.565 -1.2743 1.8429 -0.9489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3984 803SOL HW2 3982 0.867 0.199 4.628 0.1371 0.4804 -1.1869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3985 804SOL OW 3983 0.598 1.621 4.279 -0.2297 0.2357 -0.4330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3986 804SOL HW1 3984 0.670 1.628 4.211 -2.0686 -2.1412 -2.8821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3987 804SOL HW2 3985 0.514 1.662 4.243 -0.9829 -0.0813 0.8885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3988 805SOL OW 3986 1.726 0.508 5.033 -0.5095 -0.3910 0.3249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3989 805SOL HW1 3987 1.684 0.472 4.950 -0.9120 -0.6615 0.6375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3990 805SOL HW2 3988 1.819 0.538 5.014 -0.6660 -0.2706 -0.2657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3991 806SOL OW 3989 0.179 1.128 3.888 -0.2581 0.3403 0.1903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3992 806SOL HW1 3990 0.099 1.070 3.871 -0.2631 0.5612 -0.5717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3993 806SOL HW2 3991 0.260 1.070 3.902 -0.4238 0.1340 0.3078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3994 807SOL OW 3992 0.050 1.032 5.636 -0.1495 -0.3084 0.5950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3995 807SOL HW1 3993 0.035 0.961 5.704 -0.6521 -1.9392 -1.1202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3996 807SOL HW2 3994 0.139 1.017 5.591 -0.7321 -0.5260 -0.5214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3997 808SOL OW 3995 0.567 0.286 5.144 -0.4464 0.7725 -0.5118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3998 808SOL HW1 3996 0.645 0.240 5.102 -0.5350 0.3153 -0.1863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
3999 808SOL HW2 3997 0.576 0.282 5.244 -1.0698 0.3749 -0.4630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4000 809SOL OW 3998 7.254 0.327 3.464 0.2813 -1.0915 -0.2200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4001 809SOL HW1 3999 7.163 0.296 3.439 0.3210 -0.8222 -0.7088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4002 809SOL HW2 4000 7.262 0.425 3.445 0.2401 -0.8227 1.0423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4003 810SOL OW 4001 1.297 0.854 5.002 -0.2588 -0.2109 0.1671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4004 810SOL HW1 4002 1.228 0.902 4.947 0.4276 3.8461 2.4133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4005 810SOL HW2 4003 1.385 0.855 4.955 -0.3876 0.2595 -0.0649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4006 811SOL OW 4004 0.146 0.024 3.787 0.0965 -0.5013 -0.2246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4007 811SOL HW1 4005 0.170 0.094 3.720 0.6446 0.1295 0.6075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4008 811SOL HW2 4006 0.194 -0.061 3.765 0.8834 -0.0638 -0.1829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4009 812SOL OW 4007 1.275 1.290 3.901 -0.5324 -0.2731 -0.3990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4010 812SOL HW1 4008 1.230 1.238 3.828 0.2072 -1.9872 0.3038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4011 812SOL HW2 4009 1.212 1.302 3.978 0.2902 -3.3322 0.9013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4012 813SOL OW 4010 0.616 0.855 5.212 0.0317 -0.0130 0.2300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4013 813SOL HW1 4011 0.704 0.888 5.247 -0.1135 -0.1413 0.7141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4014 813SOL HW2 4012 0.631 0.773 5.157 0.1948 -0.1570 0.4867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4015 814SOL OW 4013 1.468 1.858 4.509 -0.3541 0.1533 0.0834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4016 814SOL HW1 4014 1.515 1.919 4.445 1.0538 -0.7241 0.2284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4017 814SOL HW2 4015 1.465 1.766 4.472 -1.8930 0.1495 0.1486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4018 815SOL OW 4016 0.705 0.551 5.335 0.2144 0.2148 -0.2439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4019 815SOL HW1 4017 0.782 0.578 5.391 1.2235 0.0131 -1.4749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4020 815SOL HW2 4018 0.679 0.457 5.357 0.7066 0.0826 -0.2218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4021 816SOL OW 4019 1.368 1.153 5.354 0.2685 0.1158 0.5982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4022 816SOL HW1 4020 1.380 1.161 5.453 0.0229 0.1858 0.6226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4023 816SOL HW2 4021 1.435 1.212 5.308 0.2220 0.2700 0.7275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4024 817SOL OW 4022 0.380 1.853 5.337 0.6584 0.0542 0.3078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4025 817SOL HW1 4023 0.303 1.813 5.386 0.2222 0.3096 -0.1663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4026 817SOL HW2 4024 0.409 1.936 5.384 0.4485 0.1240 0.3149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4027 818SOL OW 4025 1.539 0.858 4.863 -0.4422 -0.1733 0.1123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4028 818SOL HW1 4026 1.488 0.784 4.820 -2.6030 1.2406 0.1033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4029 818SOL HW2 4027 1.556 0.930 4.796 -0.8157 0.5400 0.7706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4030 819SOL OW 4028 1.096 0.380 4.128 0.5423 -0.3663 -0.2266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4031 819SOL HW1 4029 1.152 0.308 4.086 -0.4567 -0.5603 -1.2776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4032 819SOL HW2 4030 1.156 0.450 4.166 1.5182 -1.3025 0.0197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4033 820SOL OW 4031 0.595 0.859 4.556 -0.6659 0.2718 -0.7687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4034 820SOL HW1 4032 0.620 0.944 4.508 -0.1108 0.7166 0.2724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4035 820SOL HW2 4033 0.671 0.795 4.552 -1.0054 -0.1057 -1.3643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4036 821SOL OW 4034 1.489 0.509 5.184 -0.4360 0.0005 0.1587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4037 821SOL HW1 4035 1.578 0.509 5.138 -0.1537 0.3955 0.6998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4038 821SOL HW2 4036 1.476 0.423 5.232 1.2630 1.2445 3.1221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4039 822SOL OW 4037 1.751 0.858 5.034 0.5102 0.5212 0.4318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4040 822SOL HW1 4038 1.788 0.949 5.017 0.4960 0.5045 0.3111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4041 822SOL HW2 4039 1.671 0.843 4.976 0.5211 0.4270 0.4406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4042 823SOL OW 4040 0.877 1.269 3.807 0.2996 0.0635 0.1151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4043 823SOL HW1 4041 0.864 1.337 3.879 0.4902 0.5161 -0.2748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4044 823SOL HW2 4042 0.929 1.309 3.732 -1.9602 0.3868 -1.3800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4045 824SOL OW 4043 0.624 1.944 4.758 0.0137 0.2507 -0.4644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4046 824SOL HW1 4044 0.657 1.983 4.672 1.4465 1.9196 0.7688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4047 824SOL HW2 4045 0.685 1.869 4.786 -0.3949 -0.2262 -0.8343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4048 825SOL OW 4046 0.710 1.239 4.706 -1.2544 -0.7467 0.0419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4049 825SOL HW1 4047 0.783 1.174 4.684 -0.0057 0.7724 -0.5706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4050 825SOL HW2 4048 0.745 1.306 4.771 -1.4909 1.0343 -1.5788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4051 826SOL OW 4049 1.190 1.081 3.769 -0.2560 0.8302 -0.2545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4052 826SOL HW1 4050 1.111 1.057 3.712 0.1731 -0.1358 -0.4652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4053 826SOL HW2 4051 1.270 1.030 3.738 0.6945 2.4528 -0.6159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4054 827SOL OW 4052 1.666 1.532 4.588 -0.2286 -0.0237 0.2891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4055 827SOL HW1 4053 1.589 1.578 4.544 0.1023 0.5929 0.3339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4056 827SOL HW2 4054 1.640 1.502 4.679 -0.7283 -0.7464 -0.0807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4057 828SOL OW 4055 0.178 1.294 5.708 0.5221 0.3776 0.7258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4058 828SOL HW1 4056 0.138 1.204 5.689 -0.5675 0.9236 0.3916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4059 828SOL HW2 4057 0.121 1.343 5.774 1.0273 0.8984 0.7878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4060 829SOL OW 4058 0.265 1.019 4.224 0.6386 -0.8953 -0.6357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4061 829SOL HW1 4059 0.170 0.990 4.209 1.1191 -2.4008 -0.9591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4062 829SOL HW2 4060 0.319 1.000 4.142 1.3764 -0.7034 -0.2042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4063 830SOL OW 4061 0.638 1.324 5.311 0.4165 -0.4441 -0.3035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4064 830SOL HW1 4062 0.548 1.283 5.328 0.4074 -1.0335 -1.6845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4065 830SOL HW2 4063 0.637 1.420 5.340 -0.1659 -0.8582 1.1286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4066 831SOL OW 4064 1.727 0.095 4.859 0.3018 0.5475 0.6952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4067 831SOL HW1 4065 1.769 0.179 4.825 0.5581 0.9820 2.0313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4068 831SOL HW2 4066 1.692 0.042 4.781 2.4929 0.5949 -0.3892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4069 832SOL OW 4067 0.413 0.256 4.200 -0.4465 -0.3048 0.4183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4070 832SOL HW1 4068 0.505 0.223 4.181 -0.0702 1.2760 -0.6498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4071 832SOL HW2 4069 0.349 0.178 4.200 0.1272 -1.0099 -3.6182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4072 833SOL OW 4070 1.393 1.656 4.770 -0.6427 0.3779 -0.3686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4073 833SOL HW1 4071 1.296 1.653 4.747 -0.7113 0.2358 -0.0712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4074 833SOL HW2 4072 1.412 1.587 4.840 -0.1131 -0.3435 -1.2042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4075 834SOL OW 4073 0.284 0.637 4.992 -0.4412 0.3171 0.3748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4076 834SOL HW1 4074 0.296 0.537 4.997 -2.0771 0.1132 0.9595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4077 834SOL HW2 4075 0.254 0.662 4.900 0.9670 0.4230 -0.0803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4078 835SOL OW 4076 0.862 1.793 4.450 0.3455 -0.6380 0.0690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4079 835SOL HW1 4077 0.843 1.696 4.438 0.8359 -0.7733 0.3392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4080 835SOL HW2 4078 0.827 1.845 4.372 1.5568 -1.2339 -0.9027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4081 836SOL OW 4079 1.211 0.369 4.660 0.0286 -0.1790 -0.3720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4082 836SOL HW1 4080 1.163 0.281 4.660 0.0971 -0.2261 0.5549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4083 836SOL HW2 4081 1.191 0.417 4.745 0.3884 0.4899 -0.6626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4084 837SOL OW 4082 0.860 0.026 4.584 0.3806 0.4435 -0.3085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4085 837SOL HW1 4083 0.807 -0.052 4.616 0.3489 0.8176 0.5711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4086 837SOL HW2 4084 0.956 -0.001 4.571 -0.0280 -0.2604 -2.0813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4087 838SOL OW 4085 0.846 1.363 4.063 -0.1197 0.4481 -0.2869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4088 838SOL HW1 4086 0.775 1.309 4.107 0.3741 0.9334 1.1702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4089 838SOL HW2 4087 0.919 1.381 4.128 0.6761 1.1552 -1.3409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4090 839SOL OW 4088 0.508 1.626 5.019 -0.2182 0.2258 -0.1463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4091 839SOL HW1 4089 0.543 1.701 5.075 -0.5422 0.9529 -0.8996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4092 839SOL HW2 4090 0.571 1.609 4.943 -1.4093 1.5086 -1.4840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4093 840SOL OW 4091 1.293 0.204 4.026 0.1208 -0.0591 -0.1340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4094 840SOL HW1 4092 1.389 0.206 4.055 0.2344 0.0383 -0.5122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4095 840SOL HW2 4093 1.269 0.111 3.998 -0.1835 -0.3052 0.9031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4096 841SOL OW 4094 1.220 0.637 4.266 -0.1816 -0.1512 1.5501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4097 841SOL HW1 4095 1.161 0.652 4.187 -0.3079 -1.6848 1.3113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4098 841SOL HW2 4096 1.164 0.626 4.349 -0.1389 -0.0264 1.5956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4099 842SOL OW 4097 1.435 0.362 4.521 -0.2495 0.2299 0.9152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4100 842SOL HW1 4098 1.354 0.388 4.573 -1.8205 -0.3729 -1.1203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4101 842SOL HW2 4099 1.476 0.444 4.480 -1.9029 0.2134 -0.8826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4102 843SOL OW 4100 0.032 0.694 3.919 -0.4618 -0.0189 -0.3270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4103 843SOL HW1 4101 0.071 0.608 3.886 0.6148 0.2385 0.2254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4104 843SOL HW2 4102 0.005 0.684 4.015 1.0724 0.6736 0.2063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4105 844SOL OW 4103 0.809 1.715 4.114 -0.2747 -0.1787 0.1876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4106 844SOL HW1 4104 0.778 1.704 4.019 3.5909 1.3715 -1.4846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4107 844SOL HW2 4105 0.798 1.811 4.141 2.5952 0.4511 -0.4916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4108 845SOL OW 4106 0.315 0.715 5.780 -0.3042 0.6681 -1.0140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4109 845SOL HW1 4107 0.374 0.739 5.857 0.1193 0.4610 -1.2699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4110 845SOL HW2 4108 0.219 0.725 5.807 -0.1742 -0.0989 -0.2408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4111 846SOL OW 4109 0.434 0.046 6.304 -0.2442 0.1279 -0.2438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4112 846SOL HW1 4110 0.439 -0.051 6.284 1.0137 0.5074 -1.9727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4113 846SOL HW2 4111 0.527 0.084 6.307 -0.6666 1.1458 1.1932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4114 847SOL OW 4112 7.229 0.407 6.374 -0.3275 0.0584 -0.2083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4115 847SOL HW1 4113 7.143 0.442 6.337 -0.4698 -0.1469 -0.0739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4116 847SOL HW2 4114 7.227 0.414 6.474 -0.5799 -0.8339 -0.1457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4117 848SOL OW 4115 0.567 1.234 6.606 0.3561 0.0753 -0.4595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4118 848SOL HW1 4116 0.492 1.249 6.542 0.8183 1.8951 -0.6147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4119 848SOL HW2 4117 0.610 1.321 6.629 1.0689 -0.6865 1.3023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4120 849SOL OW 4118 1.611 1.555 6.312 0.2103 -0.0031 -0.1763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4121 849SOL HW1 4119 1.528 1.517 6.351 0.6706 0.4517 1.2943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4122 849SOL HW2 4120 1.587 1.622 6.241 -0.6542 -0.1334 -0.0141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4123 850SOL OW 4121 1.014 0.875 6.227 -0.4139 -0.4341 0.1317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4124 850SOL HW1 4122 1.078 0.951 6.239 0.5357 -1.2509 0.3724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4125 850SOL HW2 4123 0.949 0.874 6.303 -2.0096 1.5794 -1.1088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4126 851SOL OW 4124 1.688 0.661 5.514 -0.0872 -0.1060 -0.2112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4127 851SOL HW1 4125 1.608 0.689 5.461 -0.4048 -1.5713 -0.5438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4128 851SOL HW2 4126 1.658 0.625 5.603 0.1377 -1.1883 -0.5572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4129 852SOL OW 4127 0.813 1.156 6.488 0.0099 0.4638 -0.4213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4130 852SOL HW1 4128 0.724 1.162 6.533 0.9315 -0.4528 1.6974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4131 852SOL HW2 4129 0.842 1.246 6.457 -1.0805 0.9912 0.0560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4132 853SOL OW 4130 0.930 0.599 7.161 -0.1098 -0.1210 0.0592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4133 853SOL HW1 4131 0.905 0.610 7.257 0.1938 -2.5855 0.5108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4134 853SOL HW2 4132 1.021 0.637 7.145 0.1357 -0.3102 0.9462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4135 854SOL OW 4133 0.513 1.044 6.344 -0.1387 -0.0030 0.1637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4136 854SOL HW1 4134 0.601 1.092 6.347 -0.1764 0.1031 -0.3468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4137 854SOL HW2 4135 0.444 1.103 6.302 -0.6418 0.2015 1.2332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4138 855SOL OW 4136 0.265 1.422 6.624 0.5531 0.6756 -0.4407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4139 855SOL HW1 4137 0.249 1.351 6.556 -1.8949 0.9838 -0.2756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4140 855SOL HW2 4138 0.318 1.496 6.582 -0.5770 0.6844 -1.9245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4141 856SOL OW 4139 1.397 1.301 7.077 -0.0827 -0.7006 0.0049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4142 856SOL HW1 4140 1.406 1.400 7.066 -1.0623 -0.4907 0.9662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4143 856SOL HW2 4141 1.304 1.279 7.104 0.4915 -1.7494 1.2458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4144 857SOL OW 4142 0.593 0.305 7.196 -0.3233 0.0719 0.4490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4145 857SOL HW1 4143 0.683 0.314 7.238 0.5754 1.8646 -1.6477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4146 857SOL HW2 4144 0.603 0.298 7.096 -2.5068 -0.0421 0.1764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4147 858SOL OW 4145 1.398 0.630 6.231 -0.3829 -0.4797 0.1751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4148 858SOL HW1 4146 1.348 0.631 6.317 -1.1941 1.8282 -0.2584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4149 858SOL HW2 4147 1.361 0.699 6.169 1.6327 -0.5131 -1.1865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4150 859SOL OW 4148 0.335 1.754 6.000 0.0101 0.0972 -0.1789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4151 859SOL HW1 4149 0.284 1.829 6.040 0.2329 0.9199 -1.3686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4152 859SOL HW2 4150 0.307 1.741 5.905 1.7421 0.3693 -0.7757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4153 860SOL OW 4151 0.092 1.572 6.155 0.2660 0.8926 0.2920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4154 860SOL HW1 4152 0.159 1.637 6.191 -0.3126 1.1076 1.0182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4155 860SOL HW2 4153 0.042 1.530 6.231 1.3261 -1.1959 -0.1150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4156 861SOL OW 4154 0.169 1.198 6.439 -0.4706 -0.1823 -0.4045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4157 861SOL HW1 4155 0.195 1.123 6.500 -0.9040 1.8857 2.5739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4158 861SOL HW2 4156 0.073 1.222 6.456 -0.3416 1.0155 -1.2690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4159 862SOL OW 4157 0.655 1.503 6.996 -0.4700 0.1914 0.5752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4160 862SOL HW1 4158 0.580 1.519 7.060 0.0115 -0.2023 1.2410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4161 862SOL HW2 4159 0.735 1.555 7.024 0.2346 -1.1831 1.1869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4162 863SOL OW 4160 0.515 0.934 5.820 0.6126 0.6886 0.1248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4163 863SOL HW1 4161 0.471 1.006 5.767 -2.1033 -0.2374 0.9088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4164 863SOL HW2 4162 0.537 0.968 5.912 -0.5577 0.6147 0.4547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4165 864SOL OW 4163 1.419 0.142 6.834 0.5636 -0.5880 -0.0604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4166 864SOL HW1 4164 1.513 0.145 6.800 0.2572 0.1275 -0.9113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4167 864SOL HW2 4165 1.415 0.179 6.927 1.0327 -0.0062 -0.2678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4168 865SOL OW 4166 0.051 0.661 6.267 0.5462 0.0533 0.7706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4169 865SOL HW1 4167 0.050 0.563 6.283 2.1192 -0.4401 -1.5986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4170 865SOL HW2 4168 0.014 0.709 6.347 -0.3415 -2.4303 1.9333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4171 866SOL OW 4169 2.020 1.887 6.016 0.2363 -0.4228 -0.1407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4172 866SOL HW1 4170 2.061 1.806 6.059 0.9100 1.1119 2.3612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4173 866SOL HW2 4171 2.077 1.917 5.940 1.6554 -0.6378 0.7831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4174 867SOL OW 4172 7.128 1.560 5.771 -0.6867 0.0765 0.0973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4175 867SOL HW1 4173 7.051 1.499 5.789 -2.0929 1.9222 0.5058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4176 867SOL HW2 4174 7.123 1.640 5.830 2.2683 -0.3038 1.0573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4177 868SOL OW 4175 1.459 1.005 6.229 -0.5519 0.4482 0.1352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4178 868SOL HW1 4176 1.378 0.979 6.176 0.2619 1.4659 -1.7244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4179 868SOL HW2 4177 1.480 1.101 6.212 0.8223 0.3048 0.8826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4180 869SOL OW 4178 1.608 1.231 5.915 -0.1298 0.6036 0.0124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4181 869SOL HW1 4179 1.673 1.163 5.881 -0.6279 0.3826 -0.5127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4182 869SOL HW2 4180 1.657 1.298 5.970 0.2046 -0.8299 1.5417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4183 870SOL OW 4181 7.246 0.564 7.067 0.2630 0.3178 0.3656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4184 870SOL HW1 4182 7.317 0.604 7.125 -0.2359 -0.3948 1.5122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4185 870SOL HW2 4183 7.174 0.631 7.051 0.0422 0.2999 1.2275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4186 871SOL OW 4184 0.537 1.449 6.355 0.5268 -0.2780 -0.2244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4187 871SOL HW1 4185 0.479 1.379 6.312 -1.0038 1.3821 -1.0200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4188 871SOL HW2 4186 0.587 1.498 6.284 -1.7119 2.2252 -0.2227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4189 872SOL OW 4187 1.119 1.246 7.101 -0.1999 -0.2313 0.0799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4190 872SOL HW1 4188 1.138 1.180 7.028 1.8444 0.1142 0.2537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4191 872SOL HW2 4189 1.021 1.247 7.120 -1.1245 1.0173 -3.9120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4192 873SOL OW 4190 1.034 0.171 6.141 -0.2553 -0.1251 0.7827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4193 873SOL HW1 4191 1.093 0.247 6.168 -0.8274 0.7823 -0.4537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4194 873SOL HW2 4192 0.966 0.203 6.075 -1.3469 -1.4277 1.2260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4195 874SOL OW 4193 7.243 0.909 6.949 0.0689 -0.1139 0.5504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4196 874SOL HW1 4194 7.340 0.894 6.928 -0.5878 -2.3649 -1.1994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4197 874SOL HW2 4195 7.189 0.901 6.866 -1.5658 2.7124 1.1935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4198 875SOL OW 4196 1.530 0.951 5.743 0.1361 0.2643 0.2691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4199 875SOL HW1 4197 1.440 0.930 5.782 -0.5897 0.4323 -1.2573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4200 875SOL HW2 4198 1.601 0.924 5.808 -0.9367 -1.8392 0.6722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4201 876SOL OW 4199 1.086 2.104 7.209 -0.4595 -0.1932 0.6009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4202 876SOL HW1 4200 1.066 2.125 7.113 -0.0384 1.2416 0.8062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4203 876SOL HW2 4201 1.174 2.057 7.215 -0.7196 -0.7342 0.2477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4204 877SOL OW 4202 7.191 0.284 0.087 -0.0053 0.1003 -0.0552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4205 877SOL HW1 4203 7.277 0.335 0.089 -0.5230 1.1932 -2.4805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4206 877SOL HW2 4204 7.201 0.205 0.028 0.3339 -1.9197 2.5390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4207 878SOL OW 4205 1.403 1.438 6.473 0.2483 -0.3472 0.1453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4208 878SOL HW1 4206 1.366 1.437 6.565 -0.6043 -0.2252 -0.1855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4209 878SOL HW2 4207 1.448 1.351 6.453 0.2739 -0.4379 0.6047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4210 879SOL OW 4208 1.777 2.035 6.016 0.8222 -0.1236 0.1723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4211 879SOL HW1 4209 1.845 1.963 6.032 1.4305 0.1507 -1.0530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4212 879SOL HW2 4210 1.803 2.117 6.067 1.7440 0.1627 -0.7300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4213 880SOL OW 4211 0.647 0.736 5.675 -0.0182 0.3133 -0.5096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4214 880SOL HW1 4212 0.612 0.809 5.734 -0.4795 0.2894 -0.7477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4215 880SOL HW2 4213 0.572 0.675 5.650 0.0360 0.7023 -1.6743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4216 881SOL OW 4214 1.214 0.555 6.458 0.2511 -0.0658 0.0788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4217 881SOL HW1 4215 1.127 0.571 6.412 0.0386 0.0264 0.5111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4218 881SOL HW2 4216 1.222 0.459 6.482 0.6596 -0.2520 -0.7429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4219 882SOL OW 4217 1.594 1.857 5.896 0.2987 -0.1719 0.3247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4220 882SOL HW1 4218 1.677 1.908 5.920 0.2055 -0.2671 0.8633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4221 882SOL HW2 4219 1.612 1.800 5.816 0.6689 0.0161 0.2679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4222 883SOL OW 4220 0.458 0.466 6.905 -0.3732 -0.1532 0.1597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4223 883SOL HW1 4221 0.401 0.432 6.830 -1.1609 -0.3095 0.8120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4224 883SOL HW2 4222 0.413 0.448 6.992 1.2275 -1.3611 0.7925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4225 884SOL OW 4223 1.182 0.671 7.110 -0.1339 0.0658 0.2688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4226 884SOL HW1 4224 1.189 0.577 7.078 1.3915 0.2355 0.0248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4227 884SOL HW2 4225 1.225 0.732 7.043 -1.4555 1.0054 0.2147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4228 885SOL OW 4226 1.104 0.302 6.779 0.1291 -0.4714 -0.4317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4229 885SOL HW1 4227 1.195 0.341 6.768 -0.6024 1.0159 -1.5535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4230 885SOL HW2 4228 1.063 0.288 6.689 -0.5888 -1.5388 0.0512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4231 886SOL OW 4229 0.845 0.884 6.014 -0.5070 0.0980 0.2942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4232 886SOL HW1 4230 0.906 0.875 6.093 -0.6362 0.0448 0.3888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4233 886SOL HW2 4231 0.813 0.794 5.986 -2.0783 0.2397 1.4669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4234 887SOL OW 4232 0.028 0.721 6.544 -0.3533 -0.3930 -0.0546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4235 887SOL HW1 4233 0.127 0.719 6.561 -0.4882 -2.8113 0.9579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4236 887SOL HW2 4234 -0.012 0.801 6.589 1.0556 0.2633 0.0819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4237 888SOL OW 4235 0.074 1.997 7.012 -0.4503 0.1504 0.3496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4238 888SOL HW1 4236 0.155 1.962 7.061 -1.1366 -0.8577 0.7866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4239 888SOL HW2 4237 0.058 2.092 7.040 1.3332 0.8105 -0.7220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4240 889SOL OW 4238 0.951 0.398 5.859 0.1658 -0.0946 -0.4071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4241 889SOL HW1 4239 0.949 0.410 5.759 -0.3421 0.1116 -0.3775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4242 889SOL HW2 4240 0.899 0.315 5.883 1.2243 -0.7667 -0.3932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4243 890SOL OW 4241 1.354 1.244 5.995 -0.4365 0.5195 0.2604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4244 890SOL HW1 4242 1.450 1.247 5.968 -0.0289 -0.9461 1.3958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4245 890SOL HW2 4243 1.321 1.336 6.013 1.0790 0.9576 0.9262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4246 891SOL OW 4244 0.656 0.187 6.337 0.0078 -0.0245 0.0729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4247 891SOL HW1 4245 0.691 0.161 6.427 0.0597 1.9777 0.6856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4248 891SOL HW2 4246 0.593 0.264 6.348 -1.9657 -1.3427 -1.3593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4249 892SOL OW 4247 0.958 1.487 6.034 -0.4583 -0.2150 0.0602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4250 892SOL HW1 4248 0.963 1.560 5.965 -0.7712 -0.4584 -0.2286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4251 892SOL HW2 4249 1.047 1.474 6.075 -0.9671 2.4348 2.3354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4252 893SOL OW 4250 0.235 1.794 6.360 -0.2146 0.0377 -0.1804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4253 893SOL HW1 4251 0.308 1.739 6.400 2.4947 2.1696 -1.8439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4254 893SOL HW2 4252 0.252 1.891 6.379 -2.2316 0.6721 -1.2854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4255 894SOL OW 4253 1.651 0.803 6.148 -0.5616 -0.6542 -0.6820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4256 894SOL HW1 4254 1.600 0.879 6.187 -1.7115 -0.6694 -2.0787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4257 894SOL HW2 4255 1.593 0.722 6.145 -0.1837 -0.9018 -1.5175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4258 895SOL OW 4256 1.141 1.537 7.105 -0.4598 0.4893 -0.4994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4259 895SOL HW1 4257 1.144 1.437 7.092 -2.1153 0.2778 0.4857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4260 895SOL HW2 4258 1.130 1.581 7.017 -2.1767 -0.3660 -0.7554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4261 896SOL OW 4259 0.227 1.014 6.018 0.1381 0.3189 -0.3744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4262 896SOL HW1 4260 0.271 1.103 6.013 -0.7393 0.8469 0.9580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4263 896SOL HW2 4261 0.295 0.945 6.042 0.3804 1.0238 1.0307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4264 897SOL OW 4262 1.333 0.902 6.489 -0.1635 -0.0382 0.5762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4265 897SOL HW1 4263 1.374 0.811 6.502 0.0199 0.0781 0.8112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4266 897SOL HW2 4264 1.388 0.953 6.423 1.7662 1.1640 2.9484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4267 898SOL OW 4265 0.753 0.983 0.141 -0.2908 0.5326 1.1331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4268 898SOL HW1 4266 0.760 0.924 0.221 3.4795 0.7391 1.1347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4269 898SOL HW2 4267 0.796 0.939 0.063 -0.2656 1.9742 0.2881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4270 899SOL OW 4268 1.175 1.799 5.802 -0.3643 0.3805 0.3757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4271 899SOL HW1 4269 1.178 1.808 5.702 -0.0879 2.8753 0.5499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4272 899SOL HW2 4270 1.096 1.744 5.828 -0.2749 -0.5751 -1.2005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4273 900SOL OW 4271 0.282 0.262 6.865 0.5955 0.0661 -0.1828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4274 900SOL HW1 4272 0.298 0.234 6.960 -0.4530 -1.5538 -0.4346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4275 900SOL HW2 4273 0.184 0.262 6.846 0.8200 -0.3538 -1.4608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4276 901SOL OW 4274 1.552 1.555 5.469 0.2765 -0.0966 -0.0303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4277 901SOL HW1 4275 1.599 1.565 5.381 1.0759 0.1767 0.4181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4278 901SOL HW2 4276 1.455 1.577 5.458 0.5024 0.5884 -0.7039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4279 902SOL OW 4277 0.337 1.760 5.725 -0.0361 0.6336 -0.4623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4280 902SOL HW1 4278 0.391 1.838 5.694 -0.7324 1.0240 -0.6976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4281 902SOL HW2 4279 0.389 1.675 5.708 -0.9529 0.6393 -4.1950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4282 903SOL OW 4280 1.400 0.260 6.014 0.5689 0.2321 0.0612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4283 903SOL HW1 4281 1.323 0.197 6.005 1.0590 -0.5905 1.3304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4284 903SOL HW2 4282 1.457 0.254 5.932 -0.4218 0.4779 -0.6674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4285 904SOL OW 4283 0.243 1.694 6.886 -0.4514 -0.2604 -0.1454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4286 904SOL HW1 4284 0.262 1.749 6.967 0.4965 -0.1327 -0.4431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4287 904SOL HW2 4285 0.306 1.616 6.884 -0.5135 -0.2991 -0.7163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4288 905SOL OW 4286 1.044 1.790 6.427 0.7328 0.1657 0.3986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4289 905SOL HW1 4287 1.110 1.720 6.401 0.7721 0.5263 -0.5009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4290 905SOL HW2 4288 0.961 1.780 6.373 2.0126 2.9233 -2.3929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4291 906SOL OW 4289 0.307 0.736 6.058 0.7369 0.1586 -0.5927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4292 906SOL HW1 4290 0.367 0.713 6.134 0.4053 0.0786 -0.3520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4293 906SOL HW2 4291 0.218 0.691 6.070 0.4202 0.7503 -0.6273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4294 907SOL OW 4292 0.734 0.091 5.713 1.0514 -0.2570 -0.1121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4295 907SOL HW1 4293 0.769 0.116 5.623 -1.4776 -0.2843 -1.1870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4296 907SOL HW2 4294 0.654 0.033 5.703 1.3504 -1.1807 2.2132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4297 908SOL OW 4295 1.119 0.181 7.178 0.0100 -0.3238 -0.1003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4298 908SOL HW1 4296 1.043 0.175 7.113 0.1442 -1.2526 -0.1846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4299 908SOL HW2 4297 1.090 0.146 7.267 -0.0769 0.6485 0.2645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4300 909SOL OW 4298 0.997 1.443 6.675 0.4565 0.4706 0.2109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4301 909SOL HW1 4299 0.954 1.446 6.584 1.4857 -0.0678 -0.3139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4302 909SOL HW2 4300 0.947 1.380 6.734 -0.9977 1.7852 0.4619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4303 910SOL OW 4301 1.556 0.568 6.943 0.7056 -0.2198 0.0292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4304 910SOL HW1 4302 1.617 0.505 6.894 1.2832 0.6129 -0.3338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4305 910SOL HW2 4303 1.610 0.643 6.982 0.4481 -1.3767 2.8593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4306 911SOL OW 4304 0.824 1.419 6.434 0.4538 0.7668 0.3398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4307 911SOL HW1 4305 0.894 1.460 6.376 -0.6502 1.2319 -0.6946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4308 911SOL HW2 4306 0.734 1.448 6.403 -0.2897 -1.0755 0.6636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4309 912SOL OW 4307 0.873 0.521 6.472 0.0092 -0.0144 -0.1168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4310 912SOL HW1 4308 0.874 0.560 6.380 -1.9403 2.7266 0.8794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4311 912SOL HW2 4309 0.919 0.432 6.471 0.4572 0.1043 -3.5962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4312 913SOL OW 4310 0.830 0.170 5.947 0.3318 0.2855 0.0429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4313 913SOL HW1 4311 0.766 0.134 6.015 1.6320 -0.9383 0.6862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4314 913SOL HW2 4312 0.805 0.137 5.856 1.3639 -2.2818 0.5810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4315 914SOL OW 4313 1.452 1.197 5.601 -0.2345 -0.4936 -0.3315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4316 914SOL HW1 4314 1.463 1.117 5.661 -0.6135 -2.0250 -2.2100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4317 914SOL HW2 4315 1.407 1.270 5.652 0.1023 -1.4593 1.4487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4318 915SOL OW 4316 0.484 0.196 5.839 0.0590 0.1502 -0.7845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4319 915SOL HW1 4317 0.577 0.167 5.861 0.0930 0.3157 -0.7069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4320 915SOL HW2 4318 0.469 0.191 5.741 0.1018 -0.0206 -0.7822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4321 916SOL OW 4319 1.164 0.519 5.951 0.0626 -0.6328 0.1134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4322 916SOL HW1 4320 1.096 0.460 5.907 -0.9545 0.2393 0.4803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4323 916SOL HW2 4321 1.138 0.536 6.045 1.0596 -0.6651 0.4135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4324 917SOL OW 4322 1.235 0.417 7.054 -0.2634 -0.7371 -0.1229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4325 917SOL HW1 4323 1.333 0.423 7.070 -0.1390 -3.1482 0.3741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4326 917SOL HW2 4324 1.209 0.322 7.039 -2.7246 -0.3631 1.1777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4327 918SOL OW 4325 1.268 1.676 6.322 -0.0697 -0.2638 0.3798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4328 918SOL HW1 4326 1.311 1.763 6.299 0.1011 -0.1644 1.0639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4329 918SOL HW2 4327 1.326 1.626 6.386 -0.9267 -0.1754 1.2402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4330 919SOL OW 4328 0.360 1.245 6.260 -0.2251 0.1245 -0.0700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4331 919SOL HW1 4329 0.287 1.249 6.328 -0.3488 0.1908 -0.2081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4332 919SOL HW2 4330 0.321 1.250 6.168 -0.1324 -0.9383 -0.1744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4333 920SOL OW 4331 1.416 1.900 6.306 0.4233 0.5878 0.2566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4334 920SOL HW1 4332 1.465 1.977 6.264 -1.3044 1.6189 0.0146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4335 920SOL HW2 4333 1.462 1.874 6.390 1.4089 1.4743 0.0260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4336 921SOL OW 4334 0.951 0.458 5.587 0.0556 0.1115 0.1307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4337 921SOL HW1 4335 0.925 0.551 5.561 -0.6489 -0.0691 0.1588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4338 921SOL HW2 4336 1.047 0.456 5.613 -0.2323 1.0823 1.3364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4339 922SOL OW 4337 7.205 0.392 6.869 -0.1227 0.3274 -0.6520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4340 922SOL HW1 4338 7.252 0.410 6.783 1.5995 -1.3110 -0.1243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4341 922SOL HW2 4339 7.227 0.463 6.935 -0.8995 1.2214 -1.3318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4342 923SOL OW 4340 0.701 0.142 6.613 0.2768 -0.3571 0.0331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4343 923SOL HW1 4341 0.776 0.088 6.652 0.4056 -0.0364 0.2282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4344 923SOL HW2 4342 0.614 0.106 6.646 0.3789 2.6416 4.4255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4345 924SOL OW 4343 0.833 0.495 6.197 -0.3091 0.4614 0.3655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4346 924SOL HW1 4344 0.817 0.527 6.103 -1.4315 0.0459 0.3995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4347 924SOL HW2 4345 0.754 0.444 6.228 0.1410 0.4242 1.4813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4348 925SOL OW 4346 1.204 0.353 6.206 0.2114 -0.6428 0.5126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4349 925SOL HW1 4347 1.280 0.364 6.143 -0.4724 -1.0617 -0.4137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4350 925SOL HW2 4348 1.180 0.441 6.246 -0.4551 -0.0364 -1.1500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4351 926SOL OW 4349 1.595 1.252 6.418 0.3687 0.5539 0.1810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4352 926SOL HW1 4350 1.601 1.164 6.466 -1.8990 -0.8874 -1.9409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4353 926SOL HW2 4351 1.669 1.259 6.352 -0.4985 -0.7296 -0.9899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4354 927SOL OW 4352 1.461 0.681 6.549 -0.2728 -0.2850 0.8653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4355 927SOL HW1 4353 1.398 0.606 6.528 0.0613 -0.1157 -0.9672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4356 927SOL HW2 4354 1.556 0.648 6.543 -0.0734 0.5259 -1.3314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4357 928SOL OW 4355 1.752 0.811 5.886 0.3267 0.6340 -0.1213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4358 928SOL HW1 4356 1.820 0.739 5.895 -0.1177 0.2233 -0.0224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4359 928SOL HW2 4357 1.706 0.824 5.974 0.8187 1.4585 0.0280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4360 929SOL OW 4358 0.484 1.482 5.996 -0.3223 0.1369 0.0453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4361 929SOL HW1 4359 0.443 1.573 6.006 -1.8757 -0.4053 -1.0603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4362 929SOL HW2 4360 0.516 1.470 5.902 -0.9514 -0.7925 -0.0535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4363 930SOL OW 4361 1.709 1.382 6.126 0.4580 -0.2981 0.3168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4364 930SOL HW1 4362 1.767 1.322 6.181 -0.7492 -1.8262 -0.0081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4365 930SOL HW2 4363 1.667 1.452 6.184 1.1518 -0.3318 0.8692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4366 931SOL OW 4364 1.242 0.463 5.546 -0.1878 -0.2988 -0.2982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4367 931SOL HW1 4365 1.287 0.445 5.633 -1.6087 -1.5957 0.2154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4368 931SOL HW2 4366 1.294 0.533 5.495 -0.8221 2.6600 2.7591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4369 932SOL OW 4367 0.567 0.466 5.871 0.8686 -0.0214 0.3375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4370 932SOL HW1 4368 0.559 0.368 5.889 0.6431 -0.0831 -0.0813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4371 932SOL HW2 4369 0.498 0.493 5.804 -0.2612 0.7735 1.7708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4372 933SOL OW 4370 1.688 1.116 7.159 -0.1608 -0.4765 0.9116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4373 933SOL HW1 4371 1.776 1.144 7.199 0.5429 1.8305 -1.9132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4374 933SOL HW2 4372 1.617 1.180 7.188 -0.5971 -1.3237 1.7885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4375 934SOL OW 4373 0.932 1.239 6.833 -0.5479 -0.3141 -0.0712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4376 934SOL HW1 4374 0.885 1.213 6.917 -0.6019 0.7172 0.2337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4377 934SOL HW2 4375 1.005 1.173 6.813 0.2869 0.1085 1.4691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4378 935SOL OW 4376 1.256 1.369 6.745 -0.7307 -0.2099 0.5457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4379 935SOL HW1 4377 1.165 1.381 6.704 -0.4582 -1.2701 -0.4078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4380 935SOL HW2 4378 1.258 1.284 6.798 -0.8002 0.6911 2.0475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4381 936SOL OW 4379 1.534 1.024 6.638 -0.0166 -0.0253 -0.2603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4382 936SOL HW1 4380 1.529 1.088 6.715 -1.2641 0.7338 -0.9351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4383 936SOL HW2 4381 1.444 0.984 6.622 0.6583 -1.6693 -0.1183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4384 937SOL OW 4382 0.919 0.038 6.731 -0.5391 0.0510 0.5675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4385 937SOL HW1 4383 1.002 0.038 6.675 -1.4200 0.0005 -0.7889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4386 937SOL HW2 4384 0.939 0.076 6.821 0.8411 0.5109 0.0864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4387 938SOL OW 4385 0.596 1.037 6.036 0.2929 -0.9840 0.2128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4388 938SOL HW1 4386 0.575 1.072 6.128 0.0804 -1.3318 0.2979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4389 938SOL HW2 4387 0.693 1.017 6.029 0.6562 0.7623 -0.2224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4390 939SOL OW 4388 0.235 0.851 6.854 0.2402 0.2353 0.5919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4391 939SOL HW1 4389 0.292 0.794 6.913 0.2815 -1.0458 -0.6228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4392 939SOL HW2 4390 0.200 0.796 6.778 -2.5558 0.9623 1.2058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4393 940SOL OW 4391 1.413 0.411 6.771 0.3701 0.0983 0.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4394 940SOL HW1 4392 1.433 0.470 6.849 0.8163 -0.7111 0.5997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4395 940SOL HW2 4393 1.399 0.318 6.802 -2.0928 0.2017 -0.5018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4396 941SOL OW 4394 7.022 1.387 7.079 0.2005 1.3961 0.0668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4397 941SOL HW1 4395 7.094 1.356 7.142 1.5222 -0.4057 -2.1665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4398 941SOL HW2 4396 6.942 1.415 7.131 2.0873 2.4438 2.6347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4399 942SOL OW 4397 0.301 1.286 5.981 0.3666 -0.3687 -0.3262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4400 942SOL HW1 4398 0.220 1.336 5.952 -0.8188 -1.0526 1.6149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4401 942SOL HW2 4399 0.381 1.347 5.981 -0.2789 0.5128 -1.5092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4402 943SOL OW 4400 0.538 0.441 6.329 -0.1527 -0.8642 -0.7210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4403 943SOL HW1 4401 0.510 0.457 6.235 -1.4530 -1.6069 -0.4795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4404 943SOL HW2 4402 0.521 0.523 6.383 3.4115 0.7123 -1.6640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4405 944SOL OW 4403 1.236 1.502 6.081 0.9545 0.3281 0.3820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4406 944SOL HW1 4404 1.252 1.582 6.024 1.9689 -0.5228 -0.5749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4407 944SOL HW2 4405 1.237 1.529 6.178 3.3367 1.1818 0.1809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4408 945SOL OW 4406 1.416 1.558 6.792 -0.3296 -0.2275 0.1528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4409 945SOL HW1 4407 1.456 1.570 6.883 -0.4887 -1.4531 0.4069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4410 945SOL HW2 4408 1.375 1.467 6.786 -0.6583 -0.0142 -1.0238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4411 946SOL OW 4409 1.266 0.827 6.105 -0.0882 -0.3198 -0.1246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4412 946SOL HW1 4410 1.178 0.847 6.149 0.9398 2.0619 1.0473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4413 946SOL HW2 4411 1.274 0.880 6.021 -0.1706 -1.3112 -0.7631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4414 947SOL OW 4412 0.378 1.428 6.877 0.0005 0.1792 -0.1505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4415 947SOL HW1 4413 0.296 1.393 6.833 -0.5311 0.0561 0.9095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4416 947SOL HW2 4414 0.456 1.418 6.815 -0.5494 -0.8478 -0.6955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4417 948SOL OW 4415 0.201 0.685 7.171 -0.5160 0.6334 -0.0028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4418 948SOL HW1 4416 0.261 0.702 7.093 1.4978 0.5316 1.4377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4419 948SOL HW2 4417 0.221 0.751 7.244 -0.2002 -1.0652 1.5385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4420 949SOL OW 4418 1.713 0.625 7.218 0.1846 -0.4455 0.1999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4421 949SOL HW1 4419 1.631 0.676 7.244 0.9499 0.3940 1.0265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4422 949SOL HW2 4420 1.759 0.672 7.142 0.6388 -0.1567 0.6504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4423 950SOL OW 4421 0.568 0.831 6.683 0.2571 -0.1237 -0.0394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4424 950SOL HW1 4422 0.588 0.914 6.734 0.7217 -0.4397 0.3060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4425 950SOL HW2 4423 0.474 0.803 6.699 -0.0099 0.5296 -0.4398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4426 951SOL OW 4424 1.140 0.914 6.666 0.3548 -0.1031 0.3481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4427 951SOL HW1 4425 1.072 0.842 6.654 -0.5170 0.9815 -1.6365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4428 951SOL HW2 4426 1.212 0.904 6.598 2.2075 -1.1506 2.3296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4429 952SOL OW 4427 1.062 0.736 5.793 0.2579 0.1420 -0.7943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4430 952SOL HW1 4428 1.078 0.654 5.848 1.2115 1.0333 0.3313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4431 952SOL HW2 4429 0.964 0.755 5.790 0.2055 0.5600 1.4238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4432 953SOL OW 4430 0.469 0.097 6.747 -0.5071 -0.3402 0.3244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4433 953SOL HW1 4431 0.414 0.166 6.793 0.6060 -0.0307 1.2538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4434 953SOL HW2 4432 0.437 0.006 6.772 -0.6821 -0.1653 0.7348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4435 954SOL OW 4433 7.067 1.500 6.795 -0.6073 0.0705 0.5035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4436 954SOL HW1 4434 7.162 1.529 6.786 -0.6905 -0.1387 -1.4215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4437 954SOL HW2 4435 7.056 1.444 6.877 0.9744 -0.1240 0.6005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4438 955SOL OW 4436 0.636 0.690 6.460 0.0046 0.5918 0.8813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4439 955SOL HW1 4437 0.727 0.647 6.457 -0.6336 -0.9873 2.4184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4440 955SOL HW2 4438 0.640 0.773 6.515 0.8763 1.5795 -0.6041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4441 956SOL OW 4439 0.486 7.143 5.927 -0.4715 0.1041 0.4375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4442 956SOL HW1 4440 0.402 7.194 5.909 0.5881 1.1602 -2.0237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4443 956SOL HW2 4441 0.540 7.191 5.997 -0.4298 1.2690 -0.3609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4444 957SOL OW 4442 1.584 0.527 5.772 -0.4343 0.5120 0.0555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4445 957SOL HW1 4443 1.493 0.561 5.751 -0.6232 0.0950 0.1808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4446 957SOL HW2 4444 1.616 0.566 5.858 -1.0565 -0.3743 0.7054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4447 958SOL OW 4445 0.935 0.724 6.671 0.2010 0.4022 -0.3998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4448 958SOL HW1 4446 0.897 0.691 6.758 1.9443 -0.2073 0.1569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4449 958SOL HW2 4447 0.928 0.651 6.602 -2.1641 1.2273 -1.1596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4450 959SOL OW 4448 1.611 1.362 0.011 -0.2168 0.0395 0.4353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4451 959SOL HW1 4449 1.557 1.393 -0.067 1.0143 0.8488 -0.1288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4452 959SOL HW2 4450 1.660 1.441 0.050 1.3457 -0.8133 0.2734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4453 960SOL OW 4451 1.578 0.106 5.560 -0.1926 -0.9629 0.0429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4454 960SOL HW1 4452 1.515 0.106 5.637 -0.3607 0.4525 -0.0659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4455 960SOL HW2 4453 1.667 0.143 5.589 0.0141 -1.2309 -0.2398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4456 961SOL OW 4454 1.182 0.878 5.566 -0.8003 0.1424 -0.1048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4457 961SOL HW1 4455 1.137 0.842 5.647 0.0970 -0.6929 0.0399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4458 961SOL HW2 4456 1.210 0.803 5.507 -0.3467 0.6830 -0.5956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4459 962SOL OW 4457 1.105 1.388 6.388 0.5668 0.2603 0.2201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4460 962SOL HW1 4458 1.107 1.310 6.451 3.3518 -1.1858 -1.4420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4461 962SOL HW2 4459 1.196 1.430 6.385 -0.5493 2.8335 0.0917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4462 963SOL OW 4460 0.293 1.027 6.640 0.5408 -0.0187 0.2562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4463 963SOL HW1 4461 0.390 1.037 6.618 0.7827 -1.6986 0.4630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4464 963SOL HW2 4462 0.283 0.987 6.731 -0.3698 0.7505 0.5144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4465 964SOL OW 4463 0.315 0.404 6.567 0.3203 0.1256 0.5359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4466 964SOL HW1 4464 0.304 0.305 6.559 0.6656 0.2321 -2.1665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4467 964SOL HW2 4465 0.409 0.425 6.597 0.4264 -0.3451 0.5433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4468 965SOL OW 4466 0.902 0.363 6.990 0.2710 0.3052 0.4894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4469 965SOL HW1 4467 0.906 0.460 7.012 3.2770 0.2059 0.9333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4470 965SOL HW2 4468 0.965 0.343 6.915 -0.5687 -1.2529 0.1538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4471 966SOL OW 4469 6.941 1.390 5.798 -0.7773 -0.1062 1.0281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4472 966SOL HW1 4470 6.993 1.323 5.850 -0.7315 0.9118 2.3412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4473 966SOL HW2 4471 6.845 1.361 5.793 -0.5072 -0.9329 0.4029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4474 967SOL OW 4472 7.223 1.764 6.390 -0.1329 0.1872 0.3095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4475 967SOL HW1 4473 7.214 1.665 6.377 0.3716 -0.0300 1.4365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4476 967SOL HW2 4474 7.320 1.789 6.384 -0.4638 1.0868 -2.8172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4477 968SOL OW 4475 0.412 1.635 6.499 0.0287 -0.0592 -0.1255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4478 968SOL HW1 4476 0.476 1.697 6.542 -1.2516 0.9965 0.3227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4479 968SOL HW2 4477 0.462 1.564 6.448 1.5218 0.1525 1.0015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4480 969SOL OW 4478 0.693 0.634 6.805 -0.0820 -0.2353 0.3995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4481 969SOL HW1 4479 0.659 0.544 6.779 -1.5261 0.3272 0.2625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4482 969SOL HW2 4480 0.650 0.704 6.749 1.9473 0.4804 -0.3391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4483 970SOL OW 4481 0.055 0.464 6.665 0.2704 -0.0473 -0.0985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4484 970SOL HW1 4482 0.024 0.545 6.615 0.3399 0.4774 0.6771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4485 970SOL HW2 4483 0.153 0.452 6.652 -0.0721 -1.1684 -1.8078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4486 971SOL OW 4484 0.816 0.623 5.958 0.4935 0.2427 0.1830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4487 971SOL HW1 4485 0.883 0.559 5.921 0.8107 2.5526 -3.7847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4488 971SOL HW2 4486 0.725 0.602 5.922 -0.5156 -1.0713 3.1818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4489 972SOL OW 4487 1.732 0.579 6.607 0.2354 -0.6391 0.0508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4490 972SOL HW1 4488 1.727 0.503 6.672 -0.8105 -0.6516 -0.0359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4491 972SOL HW2 4489 1.804 0.561 6.539 -0.5735 -1.9476 -0.4759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4492 973SOL OW 4490 0.409 1.473 7.124 -0.2200 -0.2325 0.1997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4493 973SOL HW1 4491 0.395 1.462 7.025 1.0560 -1.6914 0.1439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4494 973SOL HW2 4492 0.405 1.384 7.168 -1.6913 0.4995 1.6370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4495 974SOL OW 4493 0.576 0.415 6.629 0.3845 -0.1383 0.2829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4496 974SOL HW1 4494 0.645 0.343 6.615 0.9349 0.6068 -0.9745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4497 974SOL HW2 4495 0.587 0.486 6.559 -0.5750 0.8499 1.1057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4498 975SOL OW 4496 1.079 1.659 6.862 -0.0763 0.4667 0.3564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4499 975SOL HW1 4497 1.072 1.573 6.811 1.7765 -0.0784 0.9273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4500 975SOL HW2 4498 1.105 1.733 6.799 -0.4824 0.3700 0.0697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4501 976SOL OW 4499 0.420 0.524 5.621 -0.4556 -0.2196 0.5025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4502 976SOL HW1 4500 0.351 0.471 5.571 1.2593 -0.7134 -1.4910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4503 976SOL HW2 4501 0.375 0.599 5.670 -2.3605 -0.2360 -1.0932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4504 977SOL OW 4502 0.029 1.111 7.117 0.3156 -0.2434 0.3985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4505 977SOL HW1 4503 0.091 1.087 7.191 0.7547 -1.1827 -0.2448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4506 977SOL HW2 4504 0.049 1.054 7.037 0.3450 1.2499 -0.6990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4507 978SOL OW 4505 1.189 1.099 6.869 0.3186 -0.2988 -0.3559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4508 978SOL HW1 4506 1.157 1.018 6.821 0.6128 -1.6443 1.5955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4509 978SOL HW2 4507 1.289 1.094 6.880 0.1744 -0.4574 1.0788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4510 979SOL OW 4508 1.275 1.001 5.892 0.2641 0.6137 0.1875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4511 979SOL HW1 4509 1.300 1.092 5.925 -0.4994 0.7072 0.5410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4512 979SOL HW2 4510 1.178 1.000 5.869 -0.1834 -0.5876 1.9005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4513 980SOL OW 4511 1.233 1.912 6.959 0.3980 0.2243 -0.6776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4514 980SOL HW1 4512 1.188 2.001 6.964 0.0235 -0.0093 2.8498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4515 980SOL HW2 4513 1.171 1.846 6.917 -1.2403 0.6765 0.8960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4516 981SOL OW 4514 1.413 1.757 6.595 0.2510 0.4312 0.0480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4517 981SOL HW1 4515 1.506 1.741 6.562 -0.3521 -1.7705 -0.8262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4518 981SOL HW2 4516 1.398 1.704 6.679 -0.0787 1.1423 0.4452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4519 982SOL OW 4517 7.177 1.258 6.464 0.4406 -0.2598 -0.2251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4520 982SOL HW1 4518 7.115 1.232 6.539 -0.6384 1.2918 -0.5239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4521 982SOL HW2 4519 7.139 1.228 6.377 0.6851 -0.3125 -0.3134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4522 983SOL OW 4520 1.576 0.264 5.817 0.2263 1.0304 0.3733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4523 983SOL HW1 4521 1.665 0.230 5.786 -1.0305 -1.2879 -1.0360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4524 983SOL HW2 4522 1.566 0.360 5.791 2.8834 1.8510 2.0200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4525 984SOL OW 4523 1.495 1.701 6.108 0.0913 -0.6008 0.2846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4526 984SOL HW1 4524 1.544 1.736 6.028 0.8070 -1.2202 0.4317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4527 984SOL HW2 4525 1.463 1.777 6.164 -1.7032 -0.1121 -1.3182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4528 985SOL OW 4526 1.166 1.130 6.211 -0.0749 0.0368 -0.1036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4529 985SOL HW1 4527 1.125 1.209 6.256 -0.9801 0.6278 -1.8528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4530 985SOL HW2 4528 1.224 1.162 6.136 -0.5696 -0.9495 -0.9318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4531 986SOL OW 4529 0.628 1.055 6.867 -0.1432 1.2855 -0.3006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4532 986SOL HW1 4530 0.626 1.115 6.947 -0.3843 0.5348 0.2693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4533 986SOL HW2 4531 0.615 1.110 6.785 1.3236 2.2272 0.0635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4534 987SOL OW 4532 0.529 1.612 5.590 0.3658 0.0879 -0.4391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4535 987SOL HW1 4533 0.585 1.616 5.507 0.7498 -0.3198 -0.2011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4536 987SOL HW2 4534 0.541 1.524 5.635 -0.0660 0.1951 -0.1005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4537 988SOL OW 4535 1.442 1.773 7.082 -0.7237 -0.6277 -0.6733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4538 988SOL HW1 4536 1.391 1.838 7.025 0.5420 -0.9203 -2.2514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4539 988SOL HW2 4537 1.397 1.761 7.170 -2.1498 0.7386 -1.1851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4540 989SOL OW 4538 1.912 7.224 6.457 -0.3719 0.1226 0.2766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4541 989SOL HW1 4539 1.913 7.242 6.359 -0.4101 -0.0634 0.2408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4542 989SOL HW2 4540 1.835 7.163 6.478 0.4011 -0.8799 0.2385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4543 990SOL OW 4541 0.265 0.249 6.232 0.8157 0.1832 0.0115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4544 990SOL HW1 4542 0.216 0.294 6.307 -1.3574 -1.5533 -0.2724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4545 990SOL HW2 4543 0.332 0.185 6.270 0.1840 -0.2082 0.4983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4546 991SOL OW 4544 1.280 1.555 5.475 0.2351 0.2687 -0.0700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4547 991SOL HW1 4545 1.301 1.511 5.563 0.6552 -1.0197 -0.7995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4548 991SOL HW2 4546 1.224 1.494 5.420 -0.4087 1.2548 -0.5544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4549 992SOL OW 4547 0.752 0.840 6.994 -0.0427 0.2639 -0.5975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4550 992SOL HW1 4548 0.749 0.752 6.945 0.4249 0.2223 -0.5624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4551 992SOL HW2 4549 0.698 0.908 6.944 -0.4243 -0.0484 -0.6151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4552 993SOL OW 4550 1.001 1.048 5.861 -0.1661 -0.2689 0.0797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4553 993SOL HW1 4551 0.976 1.038 5.765 -1.7020 0.5639 0.3584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4554 993SOL HW2 4552 0.935 0.999 5.918 0.1921 0.0197 0.7527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4555 994SOL OW 4553 1.620 1.895 5.422 -0.4933 0.2517 -0.2426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4556 994SOL HW1 4554 1.610 1.827 5.350 0.8659 0.6622 -0.8500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4557 994SOL HW2 4555 1.664 1.853 5.501 -0.0518 0.3175 -0.4529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4558 995SOL OW 4556 0.413 1.233 0.012 -0.3989 0.6077 0.3053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4559 995SOL HW1 4557 0.485 1.198 0.071 -1.3022 0.3054 1.2559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4560 995SOL HW2 4558 0.323 1.208 0.050 -1.0832 3.2157 0.6160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4561 996SOL OW 4559 1.500 1.150 6.873 0.2192 0.2872 -0.1000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4562 996SOL HW1 4560 1.596 1.125 6.881 0.4809 1.1618 -0.3966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4563 996SOL HW2 4561 1.474 1.207 6.951 -0.4907 -1.2132 0.8153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4564 997SOL OW 4562 1.065 1.163 6.533 0.3612 -0.1619 0.6381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4565 997SOL HW1 4563 0.965 1.161 6.530 0.2076 2.3213 1.5757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4566 997SOL HW2 4564 1.100 1.073 6.559 -1.6537 -0.9210 0.8546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4567 998SOL OW 4565 1.032 0.299 6.433 -0.3731 -0.4213 0.4162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4568 998SOL HW1 4566 1.080 0.311 6.346 -3.1758 -1.8129 -1.4851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4569 998SOL HW2 4567 1.048 0.207 6.468 -2.4334 -1.3332 -0.8676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4570 999SOL OW 4568 0.726 1.519 6.164 0.3852 -0.8505 0.5244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4571 999SOL HW1 4569 0.811 1.513 6.112 0.0088 -2.8360 0.0457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4572 999SOL HW2 4570 0.648 1.526 6.101 0.1582 0.6268 0.9480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4573 1000SOL OW 4571 1.742 0.393 6.816 -0.0372 0.0535 -0.3857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4574 1000SOL HW1 4572 1.827 0.384 6.869 0.0008 -0.0484 -0.4629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4575 1000SOL HW2 4573 1.720 0.305 6.774 -0.0024 0.1642 -0.6375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4576 1001SOL OW 4574 0.081 1.436 5.922 -0.1201 -0.1450 0.1553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4577 1001SOL HW1 4575 0.002 1.456 5.865 0.5008 -0.2604 -0.7621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4578 1001SOL HW2 4576 0.063 1.467 6.016 -0.6367 1.3002 -0.3904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4579 1002SOL OW 4577 0.194 1.108 0.097 -0.7554 -0.3049 0.3090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4580 1002SOL HW1 4578 0.182 1.150 0.187 -0.6965 0.5980 -0.0944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4581 1002SOL HW2 4579 0.236 1.018 0.108 0.5705 0.3697 1.0945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4582 1003SOL OW 4580 0.692 0.151 6.941 0.1567 0.0684 0.2921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4583 1003SOL HW1 4581 0.644 0.119 6.859 1.7277 -1.9259 0.0700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4584 1003SOL HW2 4582 0.743 0.234 6.920 -0.6565 0.4179 -0.3258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4585 1004SOL OW 4583 0.139 0.256 5.690 0.7360 0.0073 0.0171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4586 1004SOL HW1 4584 0.108 0.163 5.669 1.0877 -0.2240 0.4922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4587 1004SOL HW2 4585 0.169 0.260 5.785 0.9542 0.5468 -0.0721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4588 1005SOL OW 4586 1.340 0.719 6.851 0.2498 0.0243 -1.0845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4589 1005SOL HW1 4587 1.421 0.677 6.892 1.2783 -0.7463 -3.7096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4590 1005SOL HW2 4588 1.356 0.735 6.754 -2.2093 1.3220 -1.3593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4591 1006SOL OW 4589 0.238 0.273 5.969 0.7175 -0.0592 -0.0457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4592 1006SOL HW1 4590 0.239 0.246 6.065 -1.5280 1.0304 0.3495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4593 1006SOL HW2 4591 0.318 0.234 5.923 0.6557 -2.5452 1.7076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4594 1007SOL OW 4592 1.295 1.404 5.708 -0.2855 -0.2166 0.8793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4595 1007SOL HW1 4593 1.205 1.360 5.709 -0.5188 0.2214 0.0324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4596 1007SOL HW2 4594 1.312 1.446 5.797 -1.1895 0.2160 0.8609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4597 1008SOL OW 4595 0.431 0.717 6.987 -0.4702 -0.1916 0.2024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4598 1008SOL HW1 4596 0.500 0.722 7.059 -0.1965 1.9431 -0.1352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4599 1008SOL HW2 4597 0.441 0.631 6.937 0.8228 -0.6870 1.2588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4600 1009SOL OW 4598 1.664 1.838 6.484 0.1861 0.0163 0.2074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4601 1009SOL HW1 4599 1.639 1.934 6.471 1.4517 0.4264 0.6307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4602 1009SOL HW2 4600 1.758 1.824 6.452 0.1750 -0.9850 0.5867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4603 1010SOL OW 4601 0.636 0.606 7.213 -0.1865 -0.2465 -0.0173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4604 1010SOL HW1 4602 0.717 0.626 7.157 0.1705 -1.1589 0.1537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4605 1010SOL HW2 4603 0.623 0.507 7.218 0.3501 -0.2506 2.2854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4606 1011SOL OW 4604 0.289 1.844 7.107 0.0902 -0.2396 0.1784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4607 1011SOL HW1 4605 0.337 1.930 7.127 -1.5664 0.5210 1.0967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4608 1011SOL HW2 4606 0.293 1.785 7.187 -0.5570 -0.1235 0.3047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4609 1012SOL OW 4607 1.727 0.828 6.720 -0.1121 -0.5689 -0.3683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4610 1012SOL HW1 4608 1.729 0.747 6.662 0.9989 1.0561 -2.7561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4611 1012SOL HW2 4609 1.644 0.881 6.702 -0.6914 -0.9656 0.9673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4612 1013SOL OW 4610 1.342 0.644 5.773 0.0869 0.2890 0.1995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4613 1013SOL HW1 4611 1.284 0.593 5.836 -0.6090 -1.3831 -1.6848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4614 1013SOL HW2 4612 1.291 0.723 5.738 -0.8416 -0.7397 -0.8593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4615 1014SOL OW 4613 0.370 0.809 6.405 -0.0924 -0.2574 0.9765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4616 1014SOL HW1 4614 0.460 0.848 6.388 -0.1643 -0.5873 -0.2031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4617 1014SOL HW2 4615 0.300 0.870 6.366 -0.3106 -0.5827 0.8611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4618 1015SOL OW 4616 1.709 0.827 7.000 -0.4538 0.4030 -0.1804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4619 1015SOL HW1 4617 1.642 0.897 7.024 -1.4302 -0.5452 -0.0665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4620 1015SOL HW2 4618 1.717 0.821 6.900 -0.8568 0.2248 -0.2018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4621 1016SOL OW 4619 0.841 1.434 5.596 -1.0845 -1.0062 -0.2349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4622 1016SOL HW1 4620 0.930 1.399 5.625 -0.5533 2.2962 2.7716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4623 1016SOL HW2 4621 0.851 1.482 5.509 0.0793 -0.6931 0.0562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4624 1017SOL OW 4622 0.700 1.696 6.597 -0.1008 -0.0477 0.1780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4625 1017SOL HW1 4623 0.728 1.764 6.665 0.5646 -0.3414 0.2018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4626 1017SOL HW2 4624 0.757 1.704 6.516 -0.9475 0.3558 -0.3951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4627 1018SOL OW 4625 0.852 0.877 6.443 -0.3869 -0.1609 -0.0756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4628 1018SOL HW1 4626 0.886 0.839 6.529 -1.0013 -0.2912 0.1162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4629 1018SOL HW2 4627 0.827 0.973 6.456 0.4491 0.1061 -0.3676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4630 1019SOL OW 4628 1.019 1.108 5.602 -0.4734 0.0209 0.3065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4631 1019SOL HW1 4629 0.974 1.157 5.528 -0.2371 -1.3044 -0.7614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4632 1019SOL HW2 4630 1.109 1.076 5.571 1.0798 2.1914 2.2297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4633 1020SOL OW 4631 1.891 1.591 6.372 -0.7962 0.6101 0.1090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4634 1020SOL HW1 4632 1.809 1.572 6.318 -1.1974 -0.6749 1.1065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4635 1020SOL HW2 4633 1.887 1.685 6.406 -1.0072 1.1142 -1.2576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4636 1021SOL OW 4634 7.154 1.217 5.733 0.4053 0.2660 0.2898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4637 1021SOL HW1 4635 7.103 1.264 5.662 -0.4093 0.1008 0.7605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4638 1021SOL HW2 4636 7.202 1.138 5.695 0.3949 0.4808 -0.1661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4639 1022SOL OW 4637 0.610 1.247 7.054 -0.3435 0.0716 -0.1527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4640 1022SOL HW1 4638 0.524 1.234 7.103 -0.8022 0.3239 -0.8714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4641 1022SOL HW2 4639 0.614 1.341 7.020 0.1502 0.0172 -0.2453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4642 1023SOL OW 4640 1.674 0.144 6.710 -0.1319 0.4212 0.1985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4643 1023SOL HW1 4641 1.732 0.079 6.759 -0.8475 -0.4180 -0.0232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4644 1023SOL HW2 4642 1.704 0.149 6.614 -1.2200 -1.0559 -0.2595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4645 1024SOL OW 4643 0.429 0.482 6.099 -0.4063 0.7033 0.2716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4646 1024SOL HW1 4644 0.481 0.505 6.017 -0.2460 4.1400 1.2001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4647 1024SOL HW2 4645 0.345 0.435 6.073 0.6929 -0.3396 -1.6306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4648 1025SOL OW 4646 1.665 1.569 6.640 -0.0951 0.2783 -0.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4649 1025SOL HW1 4647 1.686 1.504 6.567 -3.2014 0.4779 -1.3176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4650 1025SOL HW2 4648 1.572 1.550 6.675 -0.9283 3.6636 -0.1225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4651 1026SOL OW 4649 0.270 0.671 6.624 0.0013 -0.0660 -0.1237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4652 1026SOL HW1 4650 0.297 0.728 6.547 -2.2472 -1.6083 -2.1702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4653 1026SOL HW2 4651 0.284 0.574 6.601 0.1726 -0.5484 1.7920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4654 1027SOL OW 4652 0.842 1.781 6.264 -0.7416 0.2455 0.7709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4655 1027SOL HW1 4653 0.875 1.765 6.171 -0.4563 2.4671 0.4358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4656 1027SOL HW2 4654 0.751 1.742 6.275 -0.4008 -0.8511 -0.1389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4657 1028SOL OW 4655 1.335 0.313 6.513 -0.1463 0.1456 0.0370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4658 1028SOL HW1 4656 1.376 0.223 6.499 -3.8262 -1.6375 -0.3667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4659 1028SOL HW2 4657 1.374 0.355 6.596 -0.1574 -3.0206 1.7979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4660 1029SOL OW 4658 1.114 0.058 6.525 0.2292 0.0862 0.0132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4661 1029SOL HW1 4659 1.108 -0.019 6.461 -1.1668 1.4536 -1.5633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4662 1029SOL HW2 4660 1.203 0.102 6.514 0.5906 -0.5944 0.1147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4663 1030SOL OW 4661 1.027 1.334 5.775 -0.6984 -0.2051 0.0206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4664 1030SOL HW1 4662 1.050 1.237 5.764 1.0229 0.1669 0.0296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4665 1030SOL HW2 4663 0.961 1.344 5.849 0.9568 -1.2008 1.7488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4666 1031SOL OW 4664 0.604 1.478 6.718 0.0561 0.1500 0.2188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4667 1031SOL HW1 4665 0.660 1.479 6.801 2.4488 -3.1140 -1.1605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4668 1031SOL HW2 4666 0.632 1.552 6.657 -0.4644 1.4364 1.4890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4669 1032SOL OW 4667 1.198 0.031 5.459 -0.5156 0.2345 -0.5607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4670 1032SOL HW1 4668 1.120 -0.031 5.454 -0.4364 0.0790 0.1122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4671 1032SOL HW2 4669 1.192 0.099 5.386 -1.3776 0.3244 -0.4148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4672 1033SOL OW 4670 1.079 0.591 6.236 0.2435 -0.2651 0.6070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4673 1033SOL HW1 4671 1.066 0.688 6.255 0.9714 0.0103 -0.2521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4674 1033SOL HW2 4672 0.992 0.550 6.208 0.0562 0.2762 0.3983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4675 1034SOL OW 4673 1.718 0.272 6.455 0.3768 0.5837 0.1110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4676 1034SOL HW1 4674 1.642 0.285 6.391 1.5606 1.1739 -1.2426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4677 1034SOL HW2 4675 1.794 0.333 6.429 2.1217 -1.4710 0.1113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4678 1035SOL OW 4676 0.047 0.858 5.857 -0.0221 -0.7941 -0.2519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4679 1035SOL HW1 4677 0.110 0.910 5.914 -1.1388 0.6365 -0.2721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4680 1035SOL HW2 4678 -0.001 0.790 5.912 -0.4715 -0.0020 0.3402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4681 1036SOL OW 4679 0.941 1.633 5.810 -0.0042 -0.4809 0.0610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4682 1036SOL HW1 4680 0.920 1.584 5.725 0.0117 0.7150 -0.6706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4683 1036SOL HW2 4681 0.857 1.668 5.850 -0.0323 -1.2263 0.6681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4684 1037SOL OW 4682 0.107 2.383 0.190 0.0753 -0.0969 0.0908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4685 1037SOL HW1 4683 0.020 2.335 0.198 0.4385 -0.8320 -0.2794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4686 1037SOL HW2 4684 0.116 2.422 0.098 -0.6663 1.5987 0.6912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4687 1038SOL OW 4685 0.296 2.033 0.972 0.3154 -0.1156 -0.4778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4688 1038SOL HW1 4686 0.374 2.006 1.028 1.2592 -0.3504 -1.8626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4689 1038SOL HW2 4687 0.300 1.987 0.883 -0.4725 1.1526 -1.2090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4690 1039SOL OW 4688 0.048 2.153 0.727 -0.1902 -0.2441 0.2952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4691 1039SOL HW1 4689 -0.028 2.211 0.697 -0.5973 0.0385 1.7736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4692 1039SOL HW2 4690 0.016 2.091 0.799 0.7932 -0.6752 0.3801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4693 1040SOL OW 4691 0.712 3.056 1.046 0.8607 -0.5694 0.3200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4694 1040SOL HW1 4692 0.632 3.055 1.107 -0.3925 -0.6816 -1.2487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4695 1040SOL HW2 4693 0.754 3.146 1.049 -0.7292 0.2496 -0.5212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4696 1041SOL OW 4694 1.487 3.216 0.555 0.2184 -0.7211 0.5753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4697 1041SOL HW1 4695 1.473 3.199 0.652 -0.0989 0.6511 0.7865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4698 1041SOL HW2 4696 1.410 3.269 0.519 1.0646 0.1105 -0.0619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4699 1042SOL OW 4697 1.201 2.366 0.383 0.8580 -0.2512 0.0293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4700 1042SOL HW1 4698 1.142 2.373 0.303 0.0996 2.8123 0.7390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4701 1042SOL HW2 4699 1.170 2.291 0.442 -1.0751 0.0046 -0.6177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4702 1043SOL OW 4700 1.611 2.423 0.156 0.0332 -0.1359 0.1507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4703 1043SOL HW1 4701 1.575 2.489 0.089 0.7977 -0.6674 -0.8133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4704 1043SOL HW2 4702 1.535 2.378 0.203 -0.5062 1.3865 0.7964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4705 1044SOL OW 4703 0.766 2.892 0.857 -0.0715 -0.4104 0.2034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4706 1044SOL HW1 4704 0.748 2.965 0.922 0.1909 -0.4966 0.3745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4707 1044SOL HW2 4705 0.804 2.930 0.773 1.0632 -0.4553 0.6902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4708 1045SOL OW 4706 0.918 2.509 1.714 0.5208 -0.1983 0.4127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4709 1045SOL HW1 4707 0.889 2.417 1.690 -0.9013 -0.0035 1.2462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4710 1045SOL HW2 4708 0.893 2.572 1.641 -1.2806 -0.0252 1.1478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4711 1046SOL OW 4709 0.547 2.981 0.608 0.1130 -0.1799 -0.3319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4712 1046SOL HW1 4710 0.641 2.988 0.641 -0.0364 1.9369 -0.2432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4713 1046SOL HW2 4711 0.486 2.964 0.685 0.2444 0.1743 -0.1473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4714 1047SOL OW 4712 0.769 2.700 1.854 -0.1626 -0.1111 0.4539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4715 1047SOL HW1 4713 0.823 2.617 1.837 -0.4256 -0.2673 0.3814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4716 1047SOL HW2 4714 0.737 2.738 1.767 -0.0529 0.0605 0.4874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4717 1048SOL OW 4715 0.423 3.036 1.068 -0.1429 0.4280 -0.0535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4718 1048SOL HW1 4716 0.335 3.060 1.109 -0.5054 0.3989 -0.7906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4719 1048SOL HW2 4717 0.447 3.103 0.998 0.2891 0.2882 -0.0448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4720 1049SOL OW 4718 1.443 3.463 1.129 -0.0409 0.0708 -0.9075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4721 1049SOL HW1 4719 1.537 3.432 1.142 -0.3877 -0.3915 0.6962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4722 1049SOL HW2 4720 1.412 3.512 1.211 -0.9444 0.8989 -1.7157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4723 1050SOL OW 4721 0.548 2.316 1.113 -0.0585 -0.4984 -0.2401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4724 1050SOL HW1 4722 0.568 2.219 1.118 0.4182 -0.3953 -0.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4725 1050SOL HW2 4723 0.617 2.361 1.056 0.6205 -0.0459 0.8829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4726 1051SOL OW 4724 1.670 1.997 0.630 0.0985 -0.4154 0.0102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4727 1051SOL HW1 4725 1.725 1.923 0.589 2.9521 1.7290 -0.3507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4728 1051SOL HW2 4726 1.644 2.062 0.558 0.0782 0.3816 0.7299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4729 1052SOL OW 4727 0.267 4.060 0.460 -0.2850 -0.3768 -0.2997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4730 1052SOL HW1 4728 0.304 4.046 0.552 0.1686 -1.1502 -0.5927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4731 1052SOL HW2 4729 0.303 3.990 0.398 -0.0253 0.5466 -1.2301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4732 1053SOL OW 4730 1.050 3.072 1.578 -0.2400 0.4743 0.3222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4733 1053SOL HW1 4731 1.085 3.075 1.484 0.6056 -0.1052 0.6028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4734 1053SOL HW2 4732 1.074 2.985 1.620 -0.4838 0.7831 1.1301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4735 1054SOL OW 4733 7.236 3.279 0.514 -0.0657 0.7441 -0.2889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4736 1054SOL HW1 4734 7.148 3.319 0.488 -0.3243 1.1239 1.1053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4737 1054SOL HW2 4735 7.253 3.296 0.611 1.5358 0.6288 -0.5318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4738 1055SOL OW 4736 0.477 2.840 0.894 0.3998 -0.1403 0.4647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4739 1055SOL HW1 4737 0.575 2.821 0.883 0.0649 -1.6473 -0.2079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4740 1055SOL HW2 4738 0.464 2.904 0.969 1.7774 -1.6930 2.1336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4741 1056SOL OW 4739 0.678 3.679 1.367 0.1053 0.1505 0.3182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4742 1056SOL HW1 4740 0.647 3.587 1.394 -0.5713 0.0418 -0.7681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4743 1056SOL HW2 4741 0.774 3.690 1.393 0.1421 -0.7955 0.6374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4744 1057SOL OW 4742 0.636 2.936 0.129 -0.1239 -0.4368 0.0970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4745 1057SOL HW1 4743 0.671 2.843 0.132 -0.8311 -0.7391 -0.7337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4746 1057SOL HW2 4744 0.577 2.952 0.208 1.6513 0.0199 1.4178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4747 1058SOL OW 4745 1.619 1.958 1.452 -0.1400 -0.4184 0.5065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4748 1058SOL HW1 4746 1.576 2.027 1.395 2.0809 2.0004 1.5711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4749 1058SOL HW2 4747 1.577 1.958 1.543 0.1460 -0.1218 0.6423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4750 1059SOL OW 4748 0.168 2.356 0.624 -0.1950 -0.1002 -0.3076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4751 1059SOL HW1 4749 0.124 2.273 0.660 0.6545 -0.8122 -0.8688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4752 1059SOL HW2 4750 0.240 2.385 0.687 0.9114 -1.0195 -1.1060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4753 1060SOL OW 4751 1.961 3.445 0.331 0.1176 0.8064 -0.2084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4754 1060SOL HW1 4752 1.942 3.371 0.395 -0.4294 -1.0660 -2.3688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4755 1060SOL HW2 4753 2.023 3.512 0.373 -1.5687 0.6289 2.7909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4756 1061SOL OW 4754 7.042 3.440 0.382 -0.0259 -0.1623 -0.6087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4757 1061SOL HW1 4755 7.076 3.375 0.314 -1.8211 -1.1303 -0.6255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4758 1061SOL HW2 4756 6.960 3.484 0.347 -0.5564 -0.1373 0.6398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4759 1062SOL OW 4757 1.718 2.638 0.569 0.5212 0.0521 0.1691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4760 1062SOL HW1 4758 1.751 2.567 0.507 -0.0583 -1.1363 1.1832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4761 1062SOL HW2 4759 1.710 2.725 0.519 -1.3306 -1.1805 -1.8065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4762 1063SOL OW 4760 1.645 2.840 0.380 -0.0717 0.5862 0.4829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4763 1063SOL HW1 4761 1.641 2.809 0.285 -1.3777 0.1567 0.6545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4764 1063SOL HW2 4762 1.688 2.930 0.383 1.9781 -0.2997 -0.2419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4765 1064SOL OW 4763 0.184 2.433 1.416 0.1123 0.3015 -0.5605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4766 1064SOL HW1 4764 0.205 2.469 1.325 -1.0993 2.6546 0.0026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4767 1064SOL HW2 4765 0.267 2.430 1.472 0.3750 1.7489 -0.8307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4768 1065SOL OW 4766 0.340 3.197 0.689 0.1998 0.2238 -0.2938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4769 1065SOL HW1 4767 0.289 3.114 0.712 -1.4385 1.3659 0.3923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4770 1065SOL HW2 4768 0.304 3.236 0.605 1.3534 -0.0531 -0.9295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4771 1066SOL OW 4769 1.246 3.099 1.380 -0.2576 -0.2780 -0.2609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4772 1066SOL HW1 4770 1.291 3.126 1.294 -2.4537 0.2979 -1.2964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4773 1066SOL HW2 4771 1.312 3.107 1.455 0.5194 4.1816 -1.0835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4774 1067SOL OW 4772 1.007 1.848 0.350 0.5597 0.8030 -0.4155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4775 1067SOL HW1 4773 1.027 1.753 0.326 -0.2461 -0.2451 2.5783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4776 1067SOL HW2 4774 0.908 1.862 0.349 0.5340 0.9125 1.3491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4777 1068SOL OW 4775 1.428 2.703 0.171 -0.1447 -0.1367 -0.7327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4778 1068SOL HW1 4776 1.437 2.639 0.247 -0.7314 0.4001 -0.2012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4779 1068SOL HW2 4777 1.511 2.757 0.163 0.3702 -0.9753 -1.2080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4780 1069SOL OW 4778 1.297 3.680 1.596 0.5782 0.6468 -0.5101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4781 1069SOL HW1 4779 1.215 3.735 1.582 1.2011 1.3932 -1.4096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4782 1069SOL HW2 4780 1.285 3.591 1.553 0.3221 0.8454 -0.8535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4783 1070SOL OW 4781 0.381 2.135 1.875 -0.0274 0.0108 0.3080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4784 1070SOL HW1 4782 0.457 2.197 1.859 0.0350 -0.0037 0.5552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4785 1070SOL HW2 4783 0.297 2.175 1.837 -0.2348 0.8272 1.5752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4786 1071SOL OW 4784 1.442 3.106 0.806 -0.3057 -0.8530 -0.0827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4787 1071SOL HW1 4785 1.348 3.124 0.836 -0.1941 -0.6403 0.1432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4788 1071SOL HW2 4786 1.463 3.009 0.818 -0.8473 -1.1074 -1.1253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4789 1072SOL OW 4787 1.690 3.665 0.512 0.0353 0.2815 -0.0636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4790 1072SOL HW1 4788 1.653 3.649 0.421 0.8111 0.5948 -0.4432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4791 1072SOL HW2 4789 1.674 3.585 0.569 1.6775 -0.8921 -1.1820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4792 1073SOL OW 4790 0.611 2.542 0.330 -0.1299 0.2613 0.3391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4793 1073SOL HW1 4791 0.637 2.634 0.360 0.2303 -0.0293 0.9394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4794 1073SOL HW2 4792 0.531 2.511 0.382 0.4827 -0.2365 1.0001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4795 1074SOL OW 4793 1.323 2.133 0.977 0.1654 -0.2526 -0.6598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4796 1074SOL HW1 4794 1.301 2.086 0.892 0.3802 -1.4093 -0.0925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4797 1074SOL HW2 4795 1.290 2.079 1.055 -0.3507 0.9587 -0.0062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4798 1075SOL OW 4796 1.607 3.589 0.276 0.2450 -0.1319 -0.0649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4799 1075SOL HW1 4797 1.511 3.562 0.288 0.3116 -0.3891 -0.1195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4800 1075SOL HW2 4798 1.659 3.513 0.239 0.2430 0.3437 -1.0807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4801 1076SOL OW 4799 0.642 2.696 1.230 0.1264 0.3140 0.2632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4802 1076SOL HW1 4800 0.626 2.619 1.291 -0.0658 -0.2676 -0.5150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4803 1076SOL HW2 4801 0.639 2.781 1.283 -1.9559 -0.0122 0.7569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4804 1077SOL OW 4802 1.616 2.347 1.470 0.3969 -0.6033 -0.7138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4805 1077SOL HW1 4803 1.572 2.362 1.559 -0.0370 -1.3864 -0.7857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4806 1077SOL HW2 4804 1.692 2.283 1.481 1.4983 0.6797 -0.6062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4807 1078SOL OW 4805 0.867 2.622 1.453 -0.1793 0.4418 0.3589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4808 1078SOL HW1 4806 0.888 2.539 1.401 -0.8247 0.5350 -0.0599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4809 1078SOL HW2 4807 0.936 2.692 1.434 0.9209 -0.2930 1.4472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4810 1079SOL OW 4808 1.197 2.009 1.176 -0.1807 -0.2544 -0.0042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4811 1079SOL HW1 4809 1.133 2.082 1.153 -0.3223 0.3648 2.1032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4812 1079SOL HW2 4810 1.146 1.925 1.197 -0.3472 0.2097 1.5711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4813 1080SOL OW 4811 1.096 2.221 0.182 -0.4503 -0.3023 -0.2254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4814 1080SOL HW1 4812 1.011 2.274 0.175 -0.3068 -0.1703 -0.9900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4815 1080SOL HW2 4813 1.122 2.186 0.092 1.3296 1.2582 -0.3901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4816 1081SOL OW 4814 7.253 2.642 0.695 0.1451 -0.6380 -0.5533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4817 1081SOL HW1 4815 7.348 2.672 0.708 0.1654 -0.5704 -0.9163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4818 1081SOL HW2 4816 7.206 2.643 0.783 -0.0045 0.9801 -0.6149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4819 1082SOL OW 4817 0.147 3.756 1.726 0.6972 -0.2314 0.0428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4820 1082SOL HW1 4818 0.139 3.727 1.821 -2.6867 2.5998 0.8356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4821 1082SOL HW2 4819 0.094 3.695 1.667 1.5534 -1.1071 0.1566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4822 1083SOL OW 4820 0.704 2.080 7.217 0.1760 0.3244 0.0342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4823 1083SOL HW1 4821 0.765 2.130 7.156 0.5177 -0.2133 -0.0709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4824 1083SOL HW2 4822 0.758 2.033 7.286 -0.2395 1.4327 1.1427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4825 1084SOL OW 4823 1.834 2.295 1.739 -0.4150 0.1982 0.0809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4826 1084SOL HW1 4824 1.815 2.232 1.664 1.0246 -1.3096 0.9367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4827 1084SOL HW2 4825 1.844 2.388 1.703 0.3581 -0.5099 -1.5972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4828 1085SOL OW 4826 1.396 2.830 0.515 -0.4391 -0.1651 0.0610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4829 1085SOL HW1 4827 1.474 2.842 0.454 -0.3571 0.8105 0.3376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4830 1085SOL HW2 4828 1.341 2.913 0.515 -0.2961 -0.0371 1.4890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4831 1086SOL OW 4829 0.658 1.880 0.938 -0.3022 -0.2721 0.4015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4832 1086SOL HW1 4830 0.584 1.883 1.005 1.8341 -0.2332 2.9421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4833 1086SOL HW2 4831 0.697 1.971 0.927 -1.6861 0.0827 -2.3134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4834 1087SOL OW 4832 0.932 3.262 0.542 -0.4706 -0.5479 0.1787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4835 1087SOL HW1 4833 0.878 3.238 0.460 1.6793 -0.5554 -1.3125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4836 1087SOL HW2 4834 0.975 3.351 0.528 -0.1635 -0.4973 1.3854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4837 1088SOL OW 4835 0.356 3.519 0.930 -0.0648 -0.5148 -0.1438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4838 1088SOL HW1 4836 0.404 3.432 0.921 0.5021 -0.0548 -2.0158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4839 1088SOL HW2 4837 0.399 3.574 1.001 2.2865 -0.1000 -1.7830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4840 1089SOL OW 4838 1.819 2.684 0.799 0.4216 -0.6235 -0.0220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4841 1089SOL HW1 4839 1.793 2.664 0.705 0.1998 -1.1816 0.1515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4842 1089SOL HW2 4840 1.766 2.762 0.833 1.7883 0.7639 -0.9344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4843 1090SOL OW 4841 1.318 3.433 1.454 0.2503 -0.2731 0.3203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4844 1090SOL HW1 4842 1.394 3.406 1.513 -0.9668 -0.1637 2.0033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4845 1090SOL HW2 4843 1.290 3.355 1.398 1.3871 -0.3979 -0.0963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4846 1091SOL OW 4844 0.511 3.036 7.153 0.2403 0.3771 0.2776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4847 1091SOL HW1 4845 0.559 3.028 7.240 -0.8628 -2.6181 0.7163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4848 1091SOL HW2 4846 0.559 2.982 7.083 0.4556 1.7915 -0.7112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4849 1092SOL OW 4847 1.562 2.438 0.698 0.9143 -0.3449 -0.1973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4850 1092SOL HW1 4848 1.501 2.444 0.777 1.9640 -1.3488 0.7362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4851 1092SOL HW2 4849 1.590 2.529 0.671 0.4983 0.0212 0.5627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4852 1093SOL OW 4850 0.651 2.732 1.611 -0.3420 -0.0445 -0.1803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4853 1093SOL HW1 4851 0.675 2.675 1.532 -3.0247 -0.9592 -0.4264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4854 1093SOL HW2 4852 0.552 2.743 1.616 -0.6119 -1.9802 4.3330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4855 1094SOL OW 4853 1.055 3.743 0.033 -0.2316 0.3226 -0.0332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4856 1094SOL HW1 4854 0.997 3.694 0.098 -0.0738 -0.2053 -0.2782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4857 1094SOL HW2 4855 1.036 3.710 -0.060 0.8929 -0.3312 -0.0451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4858 1095SOL OW 4856 0.251 1.897 1.392 -0.6796 -0.7292 0.1126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4859 1095SOL HW1 4857 0.223 1.991 1.375 -1.2116 -1.0113 -0.6074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4860 1095SOL HW2 4858 0.172 1.836 1.381 -0.7465 -1.1039 2.1957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4861 1096SOL OW 4859 1.484 3.036 0.017 -0.4317 -0.6333 -0.4640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4862 1096SOL HW1 4860 1.527 3.077 -0.063 -1.4305 -0.7007 -1.0466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4863 1096SOL HW2 4861 1.417 2.968 -0.012 -0.6257 -0.8504 0.4404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4864 1097SOL OW 4862 0.618 3.731 0.200 0.2747 -0.0891 -0.3680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4865 1097SOL HW1 4863 0.599 3.779 0.285 -0.5947 0.5507 -0.9115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4866 1097SOL HW2 4864 0.623 3.632 0.218 1.8706 0.1658 0.7110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4867 1098SOL OW 4865 1.437 1.846 0.343 0.0491 0.3020 0.3983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4868 1098SOL HW1 4866 1.388 1.931 0.361 0.4863 0.4795 0.7517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4869 1098SOL HW2 4867 1.513 1.865 0.280 -0.2406 0.0572 -0.0251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4870 1099SOL OW 4868 0.280 3.562 1.231 -0.1659 0.1139 -0.1028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4871 1099SOL HW1 4869 0.220 3.488 1.201 -0.9373 0.6938 -0.0081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4872 1099SOL HW2 4870 0.305 3.547 1.327 1.3057 -1.0782 -0.6227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4873 1100SOL OW 4871 1.081 3.340 0.851 -0.1733 -0.3103 0.0894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4874 1100SOL HW1 4872 1.092 3.439 0.844 -0.6919 -0.1872 0.8508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4875 1100SOL HW2 4873 1.008 3.309 0.790 -1.2892 0.0486 1.2004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4876 1101SOL OW 4874 0.379 2.480 0.467 -0.4273 -0.3363 0.3013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4877 1101SOL HW1 4875 0.377 2.382 0.453 -3.9352 -0.5554 1.3283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4878 1101SOL HW2 4876 0.286 2.517 0.460 0.8130 3.0390 -0.6152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4879 1102SOL OW 4877 1.452 1.967 1.674 0.0593 -0.3403 0.7192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4880 1102SOL HW1 4878 1.446 2.051 1.729 -2.6474 -0.8512 1.3538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4881 1102SOL HW2 4879 1.501 1.897 1.726 1.0009 0.3748 0.8170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4882 1103SOL OW 4880 0.867 1.672 7.050 -0.1705 0.0024 -0.4761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4883 1103SOL HW1 4881 0.899 1.701 7.140 0.2062 1.1350 -0.9492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4884 1103SOL HW2 4882 0.943 1.672 6.985 -0.5057 -0.4390 -0.8818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4885 1104SOL OW 4883 1.046 2.112 1.612 -0.3648 -0.5812 -0.6184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4886 1104SOL HW1 4884 1.115 2.134 1.543 -0.5034 -0.0029 -0.5790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4887 1104SOL HW2 4885 1.089 2.061 1.687 0.1193 0.1453 -0.3856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4888 1105SOL OW 4886 0.894 3.319 1.065 0.1014 0.4883 -0.3916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4889 1105SOL HW1 4887 0.979 3.303 1.014 0.2660 -0.7419 0.2538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4890 1105SOL HW2 4888 0.910 3.304 1.162 -0.9979 -0.3395 -0.3261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4891 1106SOL OW 4889 1.411 2.363 1.316 -0.1497 0.3487 0.1479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4892 1106SOL HW1 4890 1.487 2.343 1.378 0.3587 -0.9062 -0.8464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4893 1106SOL HW2 4891 1.415 2.459 1.289 0.9365 0.3699 0.3231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4894 1107SOL OW 4892 0.815 3.016 0.621 0.1418 -0.4544 -0.3817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4895 1107SOL HW1 4893 0.868 2.970 0.550 1.8688 -0.8386 1.0935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4896 1107SOL HW2 4894 0.843 3.111 0.628 -0.8388 -0.1045 -0.9465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4897 1108SOL OW 4895 0.825 2.137 0.899 -0.3183 -0.3074 1.0313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4898 1108SOL HW1 4896 0.864 2.229 0.894 -1.4488 0.2455 1.9539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4899 1108SOL HW2 4897 0.897 2.071 0.918 0.7050 0.2052 -0.7972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4900 1109SOL OW 4898 0.734 1.839 0.355 0.4187 -0.6820 0.1407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4901 1109SOL HW1 4899 0.647 1.862 0.397 0.8987 -0.4546 1.0409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4902 1109SOL HW2 4900 0.748 1.894 0.273 -0.7900 -1.5448 -0.6769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4903 1110SOL OW 4901 1.298 2.837 7.223 -0.1480 0.4666 -0.6928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4904 1110SOL HW1 4902 1.330 2.791 7.305 1.3913 1.3628 -0.7614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4905 1110SOL HW2 4903 1.201 2.859 7.232 -0.0827 0.2288 0.7129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4906 1111SOL OW 4904 0.351 1.919 0.117 -0.4120 -0.2282 -0.0260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4907 1111SOL HW1 4905 0.260 1.961 0.119 -0.3092 -0.0023 1.9517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4908 1111SOL HW2 4906 0.343 1.821 0.101 -1.0104 -0.2090 0.1495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4909 1112SOL OW 4907 0.843 2.289 0.392 0.4281 0.5306 0.2894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4910 1112SOL HW1 4908 0.751 2.301 0.430 -0.1784 3.0022 -1.7322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4911 1112SOL HW2 4909 0.897 2.232 0.455 -2.2973 -0.6682 1.7427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4912 1113SOL OW 4910 0.955 2.386 1.343 0.4399 0.4212 -0.2323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4913 1113SOL HW1 4911 0.930 2.306 1.289 1.6768 0.6644 -1.2230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4914 1113SOL HW2 4912 1.031 2.363 1.403 -0.5776 0.3038 1.0599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4915 1114SOL OW 4913 1.180 3.684 0.569 0.4410 0.1060 0.3439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4916 1114SOL HW1 4914 1.205 3.775 0.537 0.3951 0.4887 1.3845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4917 1114SOL HW2 4915 1.252 3.648 0.628 -0.6491 0.5300 1.9975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4918 1115SOL OW 4916 0.189 2.969 0.694 -0.1909 -0.5720 0.2836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4919 1115SOL HW1 4917 0.220 2.894 0.751 2.0609 -1.2038 -1.6023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4920 1115SOL HW2 4918 0.177 2.937 0.600 0.7285 1.3497 -0.5504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4921 1116SOL OW 4919 1.055 3.476 0.447 0.4912 -0.5917 0.3761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4922 1116SOL HW1 4920 1.110 3.550 0.485 2.0277 -0.9039 -1.1198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4923 1116SOL HW2 4921 1.014 3.507 0.361 0.0847 -1.0673 0.3955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4924 1117SOL OW 4922 0.682 2.334 7.053 -0.1573 0.5077 -0.4614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4925 1117SOL HW1 4923 0.650 2.326 6.959 -1.0194 -2.1639 -0.0056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4926 1117SOL HW2 4924 0.619 2.392 7.105 -0.5054 0.7633 -1.1542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4927 1118SOL OW 4925 0.136 2.134 1.339 -0.2660 0.7964 -0.2735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4928 1118SOL HW1 4926 0.152 2.151 1.242 1.5446 1.2055 0.0498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4929 1118SOL HW2 4927 0.169 2.212 1.392 -2.5670 1.2486 0.6333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4930 1119SOL OW 4928 0.614 2.057 1.188 -0.6019 0.3496 -0.2833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4931 1119SOL HW1 4929 0.669 2.079 1.269 -1.7575 0.9863 0.3572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4932 1119SOL HW2 4930 0.560 1.974 1.206 1.1716 -1.1384 -1.4397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4933 1120SOL OW 4931 0.666 2.313 0.607 -0.2703 -0.7081 -0.3745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4934 1120SOL HW1 4932 0.638 2.336 0.700 -0.3886 -0.6564 -0.4223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4935 1120SOL HW2 4933 0.586 2.284 0.555 -0.0977 -1.4020 -0.2655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4936 1121SOL OW 4934 1.058 1.840 0.593 -0.2310 0.0903 -0.2595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4937 1121SOL HW1 4935 1.050 1.846 0.494 0.3806 1.3598 -0.2529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4938 1121SOL HW2 4936 0.989 1.777 0.629 1.2506 -2.5510 -1.7243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4939 1122SOL OW 4937 1.484 2.831 0.757 -0.1006 -0.3410 0.3967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4940 1122SOL HW1 4938 1.433 2.767 0.814 1.4105 -1.9051 0.0819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4941 1122SOL HW2 4939 1.445 2.832 0.665 -0.1232 -0.8463 0.3974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4942 1123SOL OW 4940 1.423 2.383 0.958 0.1234 0.0226 -0.2866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4943 1123SOL HW1 4941 1.403 2.287 0.980 -2.5109 0.6619 0.5022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4944 1123SOL HW2 4942 1.497 2.416 1.017 -1.8326 -0.3996 2.6600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4945 1124SOL OW 4943 1.756 2.416 0.430 0.1190 -0.7609 0.4126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4946 1124SOL HW1 4944 1.819 2.340 0.417 -1.4026 -2.2725 1.4600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4947 1124SOL HW2 4945 1.683 2.411 0.361 1.1394 1.0445 -0.8798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4948 1125SOL OW 4946 0.410 3.393 0.261 -1.1338 -0.5725 -0.4091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4949 1125SOL HW1 4947 0.499 3.428 0.292 -1.8182 0.0426 0.9371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4950 1125SOL HW2 4948 0.425 3.322 0.192 0.4592 -1.2677 0.5769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4951 1126SOL OW 4949 1.689 3.104 0.430 -0.5927 -1.2366 0.0163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4952 1126SOL HW1 4950 1.763 3.167 0.452 -0.3687 -1.6500 0.4654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4953 1126SOL HW2 4951 1.606 3.133 0.478 -0.4668 -1.3235 0.2945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4954 1127SOL OW 4952 1.064 2.525 0.014 -0.1340 0.9541 -0.1393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4955 1127SOL HW1 4953 0.995 2.577 -0.035 -0.1305 -0.4912 -1.7739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4956 1127SOL HW2 4954 1.020 2.452 0.066 -0.0187 1.6165 0.9183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4957 1128SOL OW 4955 0.555 2.059 0.202 0.2524 0.2954 0.2965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4958 1128SOL HW1 4956 0.477 2.000 0.179 -2.2560 3.6843 -0.7565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4959 1128SOL HW2 4957 0.605 2.082 0.119 1.2741 -0.3974 0.7089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4960 1129SOL OW 4958 1.679 3.062 1.428 0.4964 -0.4171 -0.2960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4961 1129SOL HW1 4959 1.703 2.968 1.453 2.8435 -0.8203 -3.3881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4962 1129SOL HW2 4960 1.755 3.123 1.450 -0.7045 0.7066 0.9794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4963 1130SOL OW 4961 0.968 3.205 1.316 -0.1795 0.0584 -0.1133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4964 1130SOL HW1 4962 0.948 3.108 1.327 -2.1122 0.3005 -1.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4965 1130SOL HW2 4963 1.066 3.216 1.301 -0.0534 -1.8486 -1.0463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4966 1131SOL OW 4964 1.607 3.365 1.570 0.0911 0.1346 0.1714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4967 1131SOL HW1 4965 1.660 3.443 1.603 1.1277 -1.0700 1.5388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4968 1131SOL HW2 4966 1.667 3.286 1.561 -1.3124 -1.0768 0.9571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4969 1132SOL OW 4967 1.223 2.997 0.992 0.0025 -0.1258 -0.2843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4970 1132SOL HW1 4968 1.232 2.903 1.024 3.2018 -0.2614 -1.2388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4971 1132SOL HW2 4969 1.206 2.998 0.894 -2.8260 0.3554 0.1303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4972 1133SOL OW 4970 1.691 2.907 0.897 -0.1980 -0.4469 0.6373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4973 1133SOL HW1 4971 1.660 2.959 0.976 -1.7667 -0.4360 0.0596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4974 1133SOL HW2 4972 1.614 2.893 0.835 1.0336 -0.2750 -0.9925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4975 1134SOL OW 4973 0.900 1.913 1.271 0.3328 -0.1291 0.3499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4976 1134SOL HW1 4974 0.924 1.854 1.194 -2.2414 1.3710 -1.7764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4977 1134SOL HW2 4975 0.880 1.858 1.352 -0.5235 -2.0717 -1.1131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4978 1135SOL OW 4976 1.110 2.828 1.655 0.2143 0.3772 0.2102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4979 1135SOL HW1 4977 1.046 2.800 1.584 0.3070 -0.2445 0.3637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4980 1135SOL HW2 4978 1.203 2.801 1.629 0.7290 3.0022 -0.9391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4981 1136SOL OW 4979 0.466 3.000 0.322 0.6490 -0.3171 0.6330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4982 1136SOL HW1 4980 0.371 3.017 0.300 1.1412 0.1779 -1.2727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4983 1136SOL HW2 4981 0.480 3.008 0.421 -1.5906 -2.1262 1.1829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4984 1137SOL OW 4982 0.125 2.718 1.084 -0.0606 -0.2100 -0.4996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4985 1137SOL HW1 4983 0.221 2.719 1.110 -0.0482 0.5547 -0.5467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4986 1137SOL HW2 4984 0.075 2.788 1.136 -1.1008 -2.2376 1.3676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4987 1138SOL OW 4985 1.444 2.097 1.304 0.4215 -0.1829 0.6760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4988 1138SOL HW1 4986 1.413 2.191 1.292 0.5003 -0.2201 0.1471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4989 1138SOL HW2 4987 1.422 2.044 1.222 -2.3166 -1.3873 2.0558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4990 1139SOL OW 4988 0.104 3.387 1.536 0.2585 -0.1061 -0.1711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4991 1139SOL HW1 4989 0.188 3.360 1.583 0.0943 -0.0687 0.1488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4992 1139SOL HW2 4990 0.079 3.480 1.564 -2.5194 -1.7205 3.6177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4993 1140SOL OW 4991 0.139 2.829 0.465 -0.1001 -0.2004 0.4728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4994 1140SOL HW1 4992 0.040 2.824 0.460 -0.0591 -0.9392 0.2265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4995 1140SOL HW2 4993 0.178 2.741 0.438 0.5613 -0.6109 2.5558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4996 1141SOL OW 4994 0.353 2.411 0.814 0.3586 0.4908 -0.0060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4997 1141SOL HW1 4995 0.306 2.351 0.879 0.2438 -2.8889 -2.8676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4998 1141SOL HW2 4996 0.442 2.437 0.852 0.7362 -2.1709 1.1689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
4999 1142SOL OW 4997 1.226 3.050 0.484 -0.4524 -0.3134 0.2765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5000 1142SOL HW1 4998 1.230 3.145 0.453 0.8908 -0.8155 -1.2105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5001 1142SOL HW2 4999 1.142 3.007 0.450 -0.2335 -0.1241 -0.5289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5002 1143SOL OW 5000 1.346 3.175 1.151 -0.7220 -0.3141 0.0365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5003 1143SOL HW1 5001 1.372 3.256 1.098 1.0990 -0.7084 0.2592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5004 1143SOL HW2 5002 1.298 3.110 1.092 -0.0479 -0.1076 -0.7516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5005 1144SOL OW 5003 1.469 2.227 0.560 -0.2676 -0.2618 0.2303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5006 1144SOL HW1 5004 1.525 2.307 0.579 0.1151 -0.1990 -1.0881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5007 1144SOL HW2 5005 1.374 2.246 0.585 0.1294 -0.1015 1.7558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5008 1145SOL OW 5006 0.426 3.221 1.415 0.0806 -0.1539 0.0773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5009 1145SOL HW1 5007 0.396 3.132 1.380 -1.0566 0.2691 -0.0366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5010 1145SOL HW2 5008 0.489 3.263 1.350 -0.2225 -0.3914 -0.3709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5011 1146SOL OW 5009 0.324 2.445 1.170 0.7271 -0.6314 0.4394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5012 1146SOL HW1 5010 0.335 2.542 1.150 -2.8266 -0.1838 -0.0347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5013 1146SOL HW2 5011 0.411 2.398 1.158 2.1035 2.1350 -1.3168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5014 1147SOL OW 5012 1.823 2.531 1.618 0.3256 0.0990 -0.4399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5015 1147SOL HW1 5013 1.749 2.586 1.658 -1.5649 -0.7715 -2.4988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5016 1147SOL HW2 5014 1.864 2.582 1.542 0.1069 -0.4202 -0.9105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5017 1148SOL OW 5015 1.014 1.925 1.833 -0.0878 0.2870 0.4614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5018 1148SOL HW1 5016 1.068 1.901 1.914 -1.0175 -0.0355 1.0097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5019 1148SOL HW2 5017 0.985 1.841 1.787 1.5946 0.4790 -1.0251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5020 1149SOL OW 5018 0.536 1.900 1.806 -0.3068 0.5724 0.2806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5021 1149SOL HW1 5019 0.487 1.855 1.732 -1.4388 1.0000 0.7437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5022 1149SOL HW2 5020 0.471 1.949 1.865 0.6414 0.8736 1.1208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5023 1150SOL OW 5021 0.786 2.664 1.010 -0.8297 0.0013 0.3576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5024 1150SOL HW1 5022 0.765 2.736 0.944 -2.0620 -0.4935 0.1834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5025 1150SOL HW2 5023 0.749 2.690 1.100 1.8637 1.2334 1.2292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5026 1151SOL OW 5024 1.330 2.623 0.864 -0.4813 -0.0880 0.5688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5027 1151SOL HW1 5025 1.304 2.611 0.768 -4.2126 0.5568 1.3421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5028 1151SOL HW2 5026 1.337 2.533 0.907 1.4394 -0.3949 -0.2742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5029 1152SOL OW 5027 1.215 2.034 0.345 -0.5115 -0.1312 -0.1111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5030 1152SOL HW1 5028 1.150 1.958 0.345 0.4597 -0.9789 0.3195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5031 1152SOL HW2 5029 1.174 2.113 0.298 -2.0365 -0.4744 0.5735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5032 1153SOL OW 5030 0.416 1.833 1.155 -0.3328 -0.5590 -0.3650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5033 1153SOL HW1 5031 0.364 1.846 1.240 0.3758 -0.4021 0.0552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5034 1153SOL HW2 5032 0.402 1.739 1.122 0.3431 -1.0230 0.5990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5035 1154SOL OW 5033 0.064 3.332 1.278 0.1430 -0.2354 -0.0781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5036 1154SOL HW1 5034 0.127 3.264 1.238 0.7096 0.0102 0.3799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5037 1154SOL HW2 5035 0.084 3.342 1.375 0.8276 1.4210 -0.3606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5038 1155SOL OW 5036 0.619 2.501 0.857 0.1302 -0.1178 0.1166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5039 1155SOL HW1 5037 0.601 2.561 0.779 2.6664 -0.5907 -0.9508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5040 1155SOL HW2 5038 0.679 2.549 0.921 1.0392 -0.9736 -0.0688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5041 1156SOL OW 5039 1.715 2.881 1.769 0.0440 -0.3609 0.2103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5042 1156SOL HW1 5040 1.655 2.801 1.766 -0.4754 0.0390 -0.6075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5043 1156SOL HW2 5041 1.689 2.938 1.847 0.0523 -0.7149 0.4742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5044 1157SOL OW 5042 0.463 1.854 0.494 -0.4917 0.7246 0.0884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5045 1157SOL HW1 5043 0.427 1.944 0.519 1.4137 1.7385 -0.5879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5046 1157SOL HW2 5044 0.503 1.810 0.575 -1.1791 0.5975 0.3631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5047 1158SOL OW 5045 1.457 2.229 0.270 -0.0164 -0.0189 -0.2677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5048 1158SOL HW1 5046 1.493 2.195 0.358 0.5005 0.7612 -0.1713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5049 1158SOL HW2 5047 1.363 2.261 0.283 -0.9369 -2.3677 -0.5878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5050 1159SOL OW 5048 0.974 2.400 0.887 -0.8433 0.3752 -0.4795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5051 1159SOL HW1 5049 0.982 2.440 0.979 -2.5049 -0.9744 0.3031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5052 1159SOL HW2 5050 0.927 2.464 0.827 -0.9278 0.7391 -0.0343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5053 1160SOL OW 5051 1.024 3.311 1.746 -0.2553 -0.4277 -0.9058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5054 1160SOL HW1 5052 0.979 3.375 1.683 2.7086 1.5091 -1.2446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5055 1160SOL HW2 5053 1.045 3.226 1.698 -1.5359 -0.5288 -1.3333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5056 1161SOL OW 5054 1.858 3.251 1.461 0.6122 -0.3817 -0.1571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5057 1161SOL HW1 5055 1.907 3.278 1.379 0.3422 -1.2807 -0.6310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5058 1161SOL HW2 5056 1.909 3.281 1.542 -0.3052 2.6805 -0.5790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5059 1162SOL OW 5057 0.401 2.471 1.534 0.6311 -0.4713 -0.0332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5060 1162SOL HW1 5058 0.456 2.482 1.452 -2.2110 -2.0357 -2.3774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5061 1162SOL HW2 5059 0.400 2.374 1.561 -2.3814 -0.9337 -1.3495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5062 1163SOL OW 5060 1.502 2.158 0.003 -0.3765 0.0741 0.2995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5063 1163SOL HW1 5061 1.453 2.071 0.007 -0.6122 0.2135 0.5204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5064 1163SOL HW2 5062 1.490 2.207 0.090 -0.4828 0.4559 0.0672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5065 1164SOL OW 5063 1.250 2.575 7.084 0.3586 0.6680 -0.3846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5066 1164SOL HW1 5064 1.179 2.554 7.151 -0.3990 -0.5525 -1.5351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5067 1164SOL HW2 5065 1.298 2.658 7.112 -2.5159 2.4544 -0.3436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5068 1165SOL OW 5066 1.161 2.980 0.733 0.2681 0.1521 -0.1233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5069 1165SOL HW1 5067 1.067 2.945 0.740 0.2613 0.0402 -0.7196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5070 1165SOL HW2 5068 1.176 3.015 0.641 0.3486 1.5231 0.3769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5071 1166SOL OW 5069 0.238 2.733 0.825 -0.3311 0.1799 -0.3536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5072 1166SOL HW1 5070 0.338 2.739 0.835 -0.2404 -2.0721 0.7591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5073 1166SOL HW2 5071 0.197 2.708 0.912 -1.7935 0.2694 -0.9868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5074 1167SOL OW 5072 0.165 2.261 1.046 0.0086 -0.5508 0.0677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5075 1167SOL HW1 5073 0.211 2.183 1.006 -1.3924 -0.5911 -1.5895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5076 1167SOL HW2 5074 0.232 2.324 1.084 1.3483 -1.1378 -1.2396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5077 1168SOL OW 5075 1.194 2.313 1.474 0.0897 0.4354 0.1726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5078 1168SOL HW1 5076 1.221 2.345 1.565 1.7026 -0.2274 -0.0317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5079 1168SOL HW2 5077 1.268 2.330 1.409 -0.1854 -0.9623 -0.5633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5080 1169SOL OW 5078 1.261 1.915 1.491 -0.2688 -0.1880 -0.2173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5081 1169SOL HW1 5079 1.265 1.989 1.424 -1.5025 -0.0504 -0.1541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5082 1169SOL HW2 5080 1.328 1.932 1.563 -0.5406 0.8724 -0.2066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5083 1170SOL OW 5081 7.116 3.223 0.205 0.3318 -0.5193 0.4115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5084 1170SOL HW1 5082 7.057 3.145 0.224 -1.2790 0.6344 0.3670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5085 1170SOL HW2 5083 7.191 3.195 0.145 -0.7500 -1.8122 -0.3689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5086 1171SOL OW 5084 0.087 3.554 0.940 -0.2425 -0.0860 0.5504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5087 1171SOL HW1 5085 0.043 3.491 0.876 0.9842 0.5864 -1.0635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5088 1171SOL HW2 5086 0.186 3.542 0.935 0.1008 2.3966 -0.3946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5089 1172SOL OW 5087 0.484 3.261 0.899 0.0467 -0.4500 0.2077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5090 1172SOL HW1 5088 0.581 3.270 0.878 0.4577 1.1528 2.3849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5091 1172SOL HW2 5089 0.433 3.243 0.815 2.1869 -1.3727 -0.9941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5092 1173SOL OW 5090 1.003 2.563 1.101 -0.3589 0.0654 -0.1143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5093 1173SOL HW1 5091 0.996 2.562 1.200 -1.9702 -0.6290 -0.2004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5094 1173SOL HW2 5092 0.933 2.623 1.063 1.4729 1.8822 -0.8041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5095 1174SOL OW 5093 6.973 2.491 1.053 0.7320 -0.3971 -0.2833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5096 1174SOL HW1 5094 6.943 2.396 1.057 2.0749 -0.9917 -2.4688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5097 1174SOL HW2 5095 7.073 2.495 1.057 0.8264 0.6682 -2.2575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5098 1175SOL OW 5096 0.369 2.199 1.561 0.1662 -0.4349 -0.6108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5099 1175SOL HW1 5097 0.286 2.177 1.612 1.0516 1.3797 1.8334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5100 1175SOL HW2 5098 0.410 2.115 1.525 -1.6435 -1.5588 -0.1571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5101 1176SOL OW 5099 1.382 2.796 1.557 0.0354 -0.3156 0.1415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5102 1176SOL HW1 5100 1.399 2.894 1.552 -2.3466 0.1137 -1.4057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5103 1176SOL HW2 5101 1.397 2.755 1.467 -0.0667 -1.1563 0.4975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5104 1177SOL OW 5102 0.866 2.377 0.132 -0.0475 0.8027 0.0553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5105 1177SOL HW1 5103 0.779 2.378 0.081 -0.6804 0.0705 1.0833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5106 1177SOL HW2 5104 0.849 2.347 0.226 1.5780 -1.2399 -0.2455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5107 1178SOL OW 5105 1.645 2.434 1.167 -0.1799 0.2059 0.6364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5108 1178SOL HW1 5106 1.627 2.377 1.247 1.3496 0.4736 1.2010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5109 1178SOL HW2 5107 1.743 2.437 1.150 -0.5453 -1.4265 -2.4397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5110 1179SOL OW 5108 0.479 3.345 1.659 -0.1135 0.0942 0.0852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5111 1179SOL HW1 5109 0.543 3.293 1.716 0.3664 -1.1980 -1.5412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5112 1179SOL HW2 5110 0.465 3.297 1.573 -1.8538 1.3143 -0.3640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5113 1180SOL OW 5111 0.898 2.165 1.174 -0.7933 -0.1763 0.1463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5114 1180SOL HW1 5112 0.916 2.075 1.215 -1.1652 -0.9016 -1.2086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5115 1180SOL HW2 5113 0.829 2.155 1.102 0.4842 0.8633 -1.2850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5116 1181SOL OW 5114 0.852 3.368 1.527 -0.4833 0.2995 0.2100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5117 1181SOL HW1 5115 0.823 3.273 1.514 0.9472 -0.2285 0.7025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5118 1181SOL HW2 5116 0.909 3.396 1.451 -1.8973 1.2109 -0.5650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5119 1182SOL OW 5117 0.387 2.278 0.115 -0.0239 -0.1885 0.6442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5120 1182SOL HW1 5118 0.447 2.242 0.186 -2.1326 -1.5514 1.8360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5121 1182SOL HW2 5119 0.320 2.341 0.156 -1.1046 -0.7859 -0.1520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5122 1183SOL OW 5120 0.362 2.954 1.365 0.4047 -0.2766 -0.6339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5123 1183SOL HW1 5121 0.373 2.901 1.449 1.5494 0.1325 -0.5144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5124 1183SOL HW2 5122 0.265 2.959 1.342 0.2223 -1.9854 -0.3824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5125 1184SOL OW 5123 1.213 2.727 1.085 0.1168 -0.2034 -0.2735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5126 1184SOL HW1 5124 1.136 2.667 1.106 -0.5496 0.3294 -1.1448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5127 1184SOL HW2 5125 1.246 2.709 0.992 -0.7439 1.4349 -0.9418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5128 1185SOL OW 5126 1.418 2.525 0.372 -0.4066 -0.0411 -0.3924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5129 1185SOL HW1 5127 1.487 2.493 0.437 -0.9626 -1.0583 -0.2857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5130 1185SOL HW2 5128 1.336 2.468 0.379 -0.5202 -0.1132 -1.9075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5131 1186SOL OW 5129 1.683 3.348 1.245 -0.0813 -0.0165 -0.5381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5132 1186SOL HW1 5130 1.690 3.274 1.178 -2.8078 -0.7533 -0.1347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5133 1186SOL HW2 5131 1.685 3.310 1.337 -2.8575 0.1331 -0.3291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5134 1187SOL OW 5132 1.270 3.521 0.918 0.2074 -0.4026 0.0561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5135 1187SOL HW1 5133 1.315 3.536 0.830 2.1633 -0.4653 0.9991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5136 1187SOL HW2 5134 1.332 3.473 0.980 -0.8422 0.3123 1.7324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5137 1188SOL OW 5135 0.173 3.122 1.117 -0.2175 -0.1145 -0.6929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5138 1188SOL HW1 5136 0.148 3.051 1.183 0.3972 -0.9608 -1.3550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5139 1188SOL HW2 5137 0.143 3.095 1.026 -1.3613 1.2025 -0.7356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5140 1189SOL OW 5138 0.718 3.503 1.711 -0.2727 0.0859 0.3467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5141 1189SOL HW1 5139 0.635 3.447 1.720 0.8601 -1.6565 0.4059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5142 1189SOL HW2 5140 0.779 3.462 1.643 1.0786 0.6412 1.1784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5143 1190SOL OW 5141 0.895 1.972 0.142 -0.0100 -0.4303 -0.1834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5144 1190SOL HW1 5142 0.953 2.052 0.121 -0.6099 -0.0889 -0.5801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5145 1190SOL HW2 5143 0.950 1.902 0.187 1.0796 -0.7288 -1.9025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5146 1191SOL OW 5144 1.738 1.989 0.333 -0.1499 0.2039 -0.0929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5147 1191SOL HW1 5145 1.775 1.968 0.243 2.1840 0.1326 0.8077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5148 1191SOL HW2 5146 1.722 1.904 0.383 -0.0892 0.2901 0.0729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5149 1192SOL OW 5147 1.286 3.323 0.406 0.0961 0.0923 -0.3825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5150 1192SOL HW1 5148 1.318 3.384 0.333 1.5620 -0.2299 -0.0526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5151 1192SOL HW2 5149 1.213 3.367 0.457 0.3766 1.1246 -0.8404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5152 1193SOL OW 5150 0.143 3.782 2.016 -0.4717 0.2598 -0.1241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5153 1193SOL HW1 5151 0.047 3.758 2.026 -0.3370 0.0060 0.6219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5154 1193SOL HW2 5152 0.191 3.764 2.102 0.4594 -0.6167 -0.8021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5155 1194SOL OW 5153 1.256 2.589 0.603 0.5516 -0.5426 0.7072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5156 1194SOL HW1 5154 1.217 2.502 0.634 -2.8347 0.7131 0.3765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5157 1194SOL HW2 5155 1.296 2.576 0.513 -0.5969 -1.6583 0.3163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5158 1195SOL OW 5156 0.885 2.906 1.217 -0.1085 -0.4999 0.5936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5159 1195SOL HW1 5157 0.786 2.918 1.229 -0.0927 0.3367 -0.0197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5160 1195SOL HW2 5158 0.913 2.950 1.132 0.5035 -2.2779 -0.1662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5161 1196SOL OW 5159 0.656 3.473 0.335 -0.1155 0.2442 -0.1092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5162 1196SOL HW1 5160 0.668 3.468 0.434 2.2219 1.9281 -0.2228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5163 1196SOL HW2 5161 0.693 3.390 0.293 -0.0056 0.0487 0.3620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5164 1197SOL OW 5162 1.697 3.623 1.275 -0.1104 0.3803 -0.3184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5165 1197SOL HW1 5163 1.703 3.525 1.256 -0.0050 0.4723 -0.7891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5166 1197SOL HW2 5164 1.603 3.646 1.300 0.4829 -0.3747 2.9897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5167 1198SOL OW 5165 1.838 2.048 0.827 -0.4240 -0.2227 -0.8400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5168 1198SOL HW1 5166 1.865 1.957 0.856 -0.9574 0.4242 1.9704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5169 1198SOL HW2 5167 1.769 2.041 0.755 1.6206 -1.9267 -2.7699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5170 1199SOL OW 5168 0.279 2.065 0.593 -0.1403 -0.3755 -0.1510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5171 1199SOL HW1 5169 0.193 2.115 0.585 0.4129 1.6831 4.1249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5172 1199SOL HW2 5170 0.268 1.990 0.658 0.8632 -1.3644 -1.0847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5173 1200SOL OW 5171 1.141 3.339 0.101 -0.2458 -0.2262 -0.2742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5174 1200SOL HW1 5172 1.100 3.272 0.163 0.7138 -2.0338 -1.4726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5175 1200SOL HW2 5173 1.100 3.330 0.011 -0.4567 1.1981 -0.3343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5176 1201SOL OW 5174 1.065 2.787 1.369 0.3258 -0.0670 0.1888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5177 1201SOL HW1 5175 1.152 2.834 1.353 -0.1332 0.1879 -1.8872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5178 1201SOL HW2 5176 0.994 2.830 1.313 -0.3828 -2.4231 -0.8390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5179 1202SOL OW 5177 1.008 2.889 0.395 0.4074 -0.2680 -0.3264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5180 1202SOL HW1 5178 1.018 2.827 0.317 0.1044 -0.8686 0.1058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5181 1202SOL HW2 5179 0.998 2.835 0.479 2.3272 0.3559 0.3526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5182 1203SOL OW 5180 1.374 3.458 0.190 0.1584 0.6122 0.0610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5183 1203SOL HW1 5181 1.283 3.432 0.158 0.1391 0.9720 -0.1829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5184 1203SOL HW2 5182 1.442 3.393 0.155 -0.2837 -1.2657 2.4074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5185 1204SOL OW 5183 0.626 2.944 1.323 0.2328 0.1307 -0.2271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5186 1204SOL HW1 5184 0.672 2.987 1.401 -0.1003 1.6678 -0.8308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5187 1204SOL HW2 5185 0.527 2.946 1.338 0.1999 -0.1112 -0.4150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5188 1205SOL OW 5186 1.581 3.028 1.115 -0.2313 0.5739 -0.7141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5189 1205SOL HW1 5187 1.622 3.003 1.203 -0.0607 -1.0747 -1.2206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5190 1205SOL HW2 5188 1.496 3.077 1.130 0.7511 2.0227 0.3538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5191 1206SOL OW 5189 1.025 2.753 0.629 0.2570 0.0921 0.1376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5192 1206SOL HW1 5190 0.963 2.676 0.644 1.5854 -0.8694 0.8792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5193 1206SOL HW2 5191 1.120 2.724 0.643 0.8163 1.8217 0.2576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5194 1207SOL OW 5192 1.010 1.957 0.922 -0.1200 -0.1004 0.0643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5195 1207SOL HW1 5193 1.091 1.970 0.864 -0.2278 0.7398 0.0896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5196 1207SOL HW2 5194 1.014 1.867 0.965 0.9872 0.0741 0.3547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5197 1208SOL OW 5195 0.249 3.260 0.421 0.1283 -0.0744 -0.0710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5198 1208SOL HW1 5196 0.302 3.332 0.375 -1.2083 0.7380 -0.4016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5199 1208SOL HW2 5197 0.161 3.298 0.451 0.0585 -1.1819 1.1808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5200 1209SOL OW 5198 1.970 2.087 1.296 0.5356 0.3971 -0.2076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5201 1209SOL HW1 5199 2.019 2.173 1.281 -0.4062 0.9981 0.1066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5202 1209SOL HW2 5200 1.896 2.078 1.230 0.5024 -0.0844 -0.1122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5203 1210SOL OW 5201 7.170 3.011 0.487 -0.1054 0.1077 -0.7746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5204 1210SOL HW1 5202 7.197 3.107 0.485 -1.4289 0.5057 -0.2633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5205 1210SOL HW2 5203 7.127 2.987 0.400 2.5944 -0.7861 -1.9748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5206 1211SOL OW 5204 0.392 2.808 1.626 0.1282 -0.2744 -0.0618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5207 1211SOL HW1 5205 0.398 2.886 1.688 -0.2948 -1.1166 1.0761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5208 1211SOL HW2 5206 0.309 2.756 1.645 0.2923 -0.8870 -0.9448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5209 1212SOL OW 5207 0.742 2.062 1.469 -0.5461 -0.8765 0.8675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5210 1212SOL HW1 5208 0.840 2.049 1.458 -0.2810 1.5996 -0.2830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5211 1212SOL HW2 5209 0.723 2.108 1.556 -0.5478 -0.2350 0.5349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5212 1213SOL OW 5210 0.035 2.263 7.047 0.6711 0.2114 0.2800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5213 1213SOL HW1 5211 0.056 2.351 7.091 0.4285 1.2912 -1.6603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5214 1213SOL HW2 5212 -0.062 2.261 7.023 0.4891 -0.9724 1.0821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5215 1214SOL OW 5213 1.386 2.696 1.298 -0.2907 0.3579 -0.4592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5216 1214SOL HW1 5214 1.328 2.691 1.217 -0.3855 1.7017 -0.4993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5217 1214SOL HW2 5215 1.480 2.719 1.271 -0.4921 1.6545 -0.1689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5218 1215SOL OW 5216 0.051 1.964 0.417 -0.5222 -0.1338 0.6130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5219 1215SOL HW1 5217 0.111 1.929 0.489 0.6571 2.0453 0.7762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5220 1215SOL HW2 5218 0.088 1.940 0.328 0.3124 0.6877 0.7215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5221 1216SOL OW 5219 1.052 2.922 0.056 0.2568 0.3269 0.1861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5222 1216SOL HW1 5220 1.060 3.006 0.110 -0.2101 -0.1829 1.0706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5223 1216SOL HW2 5221 1.066 2.843 0.115 -1.3081 -0.2763 -0.2067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5224 1217SOL OW 5222 0.372 2.730 1.185 -0.1188 -0.2649 -0.2487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5225 1217SOL HW1 5223 0.344 2.816 1.228 -1.4643 -0.7288 -0.1482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5226 1217SOL HW2 5224 0.471 2.728 1.176 0.1055 0.3728 1.7110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5227 1218SOL OW 5225 1.405 3.557 0.690 1.0699 0.1543 0.5408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5228 1218SOL HW1 5226 1.425 3.655 0.690 0.9998 0.2003 -1.4267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5229 1218SOL HW2 5227 1.490 3.505 0.682 0.9842 0.1133 -0.1316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5230 1219SOL OW 5228 0.619 2.462 1.351 0.1592 -0.5326 0.6690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5231 1219SOL HW1 5229 0.592 2.405 1.274 0.7326 -0.1466 0.1739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5232 1219SOL HW2 5230 0.710 2.436 1.382 0.2146 -0.2289 0.7708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5233 1220SOL OW 5231 1.436 3.067 1.563 0.1858 -1.0127 0.0310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5234 1220SOL HW1 5232 1.436 3.081 1.662 0.5391 -2.2453 0.2211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5235 1220SOL HW2 5233 1.527 3.085 1.526 -0.4682 1.6915 -0.4488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5236 1221SOL OW 5234 0.370 3.551 1.484 -0.3774 -0.9775 -0.7393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5237 1221SOL HW1 5235 0.375 3.642 1.525 -0.0142 0.0049 -2.8278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5238 1221SOL HW2 5236 0.421 3.486 1.540 1.1270 0.5369 -0.2761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5239 1222SOL OW 5237 1.633 2.714 1.199 0.1539 -0.4827 -0.0745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5240 1222SOL HW1 5238 1.659 2.622 1.170 -0.0313 -0.2222 -1.1129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5241 1222SOL HW2 5239 1.671 2.781 1.135 0.1873 0.1582 0.6020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5242 1223SOL OW 5240 1.117 2.187 0.563 0.1788 0.3202 0.2203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5243 1223SOL HW1 5241 1.155 2.095 0.553 0.6043 0.3605 1.3054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5244 1223SOL HW2 5242 1.127 2.217 0.658 -2.8073 0.2324 0.6512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5245 1224SOL OW 5243 0.552 2.674 0.633 0.2586 -0.1416 0.1027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5246 1224SOL HW1 5244 0.527 2.771 0.628 1.1639 0.1298 0.7602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5247 1224SOL HW2 5245 0.470 2.619 0.615 -0.7799 0.7297 1.8661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5248 1225SOL OW 5246 1.804 2.141 1.516 -0.4852 -0.5649 -0.0612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5249 1225SOL HW1 5247 1.875 2.149 1.446 -1.1418 -0.9317 -0.7904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5250 1225SOL HW2 5248 1.752 2.057 1.501 -2.1495 0.5170 -0.5802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5251 1226SOL OW 5249 1.890 2.576 1.351 0.5216 0.0622 0.1754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5252 1226SOL HW1 5250 1.810 2.636 1.341 -1.1016 -1.6809 1.7347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5253 1226SOL HW2 5251 1.915 2.538 1.262 0.4509 1.6029 -0.5393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5254 1227SOL OW 5252 0.996 3.139 0.222 -0.2217 0.3091 0.1453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5255 1227SOL HW1 5253 0.957 3.088 0.299 -0.0454 0.4070 0.3000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5256 1227SOL HW2 5254 0.922 3.175 0.165 -0.3487 -0.4508 -0.1865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5257 1228SOL OW 5255 0.732 3.316 0.856 -0.5629 -0.3451 0.0156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5258 1228SOL HW1 5256 0.700 3.406 0.827 2.9389 0.9029 -0.4779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5259 1228SOL HW2 5257 0.792 3.326 0.935 -0.0695 -2.2391 -0.0699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5260 1229SOL OW 5258 0.799 2.569 0.640 -0.3773 -0.1768 0.5974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5261 1229SOL HW1 5259 0.736 2.627 0.588 0.5808 -1.2804 -1.9631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5262 1229SOL HW2 5260 0.769 2.474 0.635 0.1663 -0.4042 1.4675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5263 1230SOL OW 5261 1.120 2.703 0.197 -0.2101 0.3003 -0.5071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5264 1230SOL HW1 5262 1.206 2.691 0.246 -0.4747 2.1920 0.5455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5265 1230SOL HW2 5263 1.111 2.634 0.126 0.9288 -1.5837 1.0958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5266 1231SOL OW 5264 1.662 3.430 0.676 0.2201 0.5753 0.5941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5267 1231SOL HW1 5265 1.659 3.357 0.608 1.0504 1.5762 -0.5765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5268 1231SOL HW2 5266 1.675 3.391 0.767 2.2434 -0.6899 -0.1563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5269 1232SOL OW 5267 0.401 3.036 1.875 -0.2740 -0.0163 0.2582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5270 1232SOL HW1 5268 0.312 3.040 1.829 0.1345 -1.2179 -0.6773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5271 1232SOL HW2 5269 0.414 2.945 1.913 -0.7793 1.0248 3.2141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5272 1233SOL OW 5270 0.025 3.062 0.890 0.5038 -0.0747 -0.2137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5273 1233SOL HW1 5271 -0.051 2.999 0.904 0.2063 0.5620 1.1589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5274 1233SOL HW2 5272 0.085 3.027 0.818 1.2764 -2.8038 1.6060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5275 1234SOL OW 5273 0.761 3.125 1.551 0.2391 -0.0940 0.6454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5276 1234SOL HW1 5274 0.849 3.087 1.579 0.0715 -0.3010 0.9037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5277 1234SOL HW2 5275 0.711 3.157 1.632 -0.4783 -1.1861 0.6603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5278 1235SOL OW 5276 1.782 2.047 1.093 -0.4258 -0.1273 0.0744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5279 1235SOL HW1 5277 1.713 1.975 1.103 1.1023 -1.7686 -0.6266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5280 1235SOL HW2 5278 1.780 2.083 1.000 -0.2956 -0.2233 0.0342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5281 1236SOL OW 5279 0.464 2.214 0.453 0.0645 0.1753 0.0405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5282 1236SOL HW1 5280 0.510 2.160 0.383 1.7647 0.8688 0.5712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5283 1236SOL HW2 5281 0.390 2.160 0.494 1.3042 -1.5409 0.1260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5284 1237SOL OW 5282 1.638 3.266 0.885 0.5277 -0.2838 -0.6481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5285 1237SOL HW1 5283 1.564 3.202 0.866 1.0630 -0.8683 -0.7711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5286 1237SOL HW2 5284 1.699 3.227 0.954 0.8695 0.0794 -0.7413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5287 1238SOL OW 5285 7.237 2.458 1.112 0.0229 0.1888 0.0241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5288 1238SOL HW1 5286 7.302 2.530 1.088 0.4239 0.0316 0.6263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5289 1238SOL HW2 5287 7.280 2.369 1.101 0.1520 0.1055 1.0813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5290 1239SOL OW 5288 0.576 3.270 0.590 0.0802 -0.0015 0.0846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5291 1239SOL HW1 5289 0.643 3.264 0.663 0.3441 1.1119 -0.0491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5292 1239SOL HW2 5290 0.492 3.223 0.618 0.0937 0.6075 1.2055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5293 1240SOL OW 5291 1.498 1.850 0.808 0.4392 0.1688 0.5078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5294 1240SOL HW1 5292 1.542 1.911 0.742 0.2754 0.7283 0.9096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5295 1240SOL HW2 5293 1.556 1.840 0.888 2.0952 -2.9245 -0.9038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5296 1241SOL OW 5294 0.981 1.719 1.097 0.3693 -0.1244 0.5174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5297 1241SOL HW1 5295 0.909 1.685 1.036 -0.1637 1.5485 0.1642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5298 1241SOL HW2 5296 1.043 1.645 1.119 -1.0752 -1.4618 0.2804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5299 1242SOL OW 5297 0.703 3.186 0.360 0.5289 -0.5937 0.0714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5300 1242SOL HW1 5298 0.651 3.217 0.439 0.1528 -1.2308 0.0821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5301 1242SOL HW2 5299 0.650 3.118 0.310 1.9564 -2.4713 0.9660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5302 1243SOL OW 5300 0.643 3.328 1.287 0.0110 -0.4315 -0.2981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5303 1243SOL HW1 5301 0.682 3.357 1.199 0.1497 -0.7119 -0.3299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5304 1243SOL HW2 5302 0.715 3.286 1.342 -0.0654 -0.2162 -0.0304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5305 1244SOL OW 5303 1.305 1.975 0.065 -0.4143 0.3310 0.2576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5306 1244SOL HW1 5304 1.288 2.001 0.160 1.2269 0.3236 0.5877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5307 1244SOL HW2 5305 1.296 1.875 0.055 -2.7375 0.5101 -0.1256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5308 1245SOL OW 5306 1.212 2.345 0.759 -0.2130 0.0941 -0.4047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5309 1245SOL HW1 5307 1.121 2.356 0.800 0.0460 1.6196 -0.1780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5310 1245SOL HW2 5308 1.280 2.340 0.832 0.0254 0.4796 -0.6023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5311 1246SOL OW 5309 1.242 1.973 0.760 0.2809 -0.2680 -0.0097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5312 1246SOL HW1 5310 1.333 1.936 0.775 0.1430 -1.0160 -0.9433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5313 1246SOL HW2 5311 1.197 1.923 0.686 -0.4681 0.8190 -0.3106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5314 1247SOL OW 5312 0.183 3.045 0.275 -0.2841 -0.2528 -0.0298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5315 1247SOL HW1 5313 0.178 3.132 0.324 -1.1974 0.4631 -1.3246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5316 1247SOL HW2 5314 0.178 2.969 0.340 -0.0936 0.6560 1.0702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5317 1248SOL OW 5315 0.918 3.622 0.258 0.0832 0.6015 0.0679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5318 1248SOL HW1 5316 0.829 3.579 0.240 0.9573 -1.1263 -0.3920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5319 1248SOL HW2 5317 0.904 3.710 0.303 -1.8427 0.2499 0.2593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5320 1249SOL OW 5318 0.406 2.541 1.789 0.0802 0.6309 -0.5832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5321 1249SOL HW1 5319 0.320 2.507 1.827 -0.1346 -0.4107 -1.9328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5322 1249SOL HW2 5320 0.408 2.523 1.690 1.6736 1.0228 -0.6441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5323 1250SOL OW 5321 0.063 2.193 2.998 0.3510 -0.0381 -0.1955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5324 1250SOL HW1 5322 0.069 2.118 3.064 -0.9897 1.3395 1.5751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5325 1250SOL HW2 5323 -0.001 2.167 2.925 0.4242 -0.8761 0.0333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5326 1251SOL OW 5324 0.064 2.352 2.444 -0.6785 1.0061 -0.2992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5327 1251SOL HW1 5325 -0.035 2.345 2.459 -0.6995 0.7697 -0.5773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5328 1251SOL HW2 5326 0.082 2.351 2.346 -0.3844 0.8253 -0.2438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5329 1252SOL OW 5327 0.581 3.029 3.146 0.2122 -0.1367 0.2102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5330 1252SOL HW1 5328 0.488 3.027 3.108 0.1081 0.7938 0.3921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5331 1252SOL HW2 5329 0.611 3.124 3.155 0.9750 -0.4150 0.6683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5332 1253SOL OW 5330 1.708 3.324 2.512 -0.2802 -0.8046 0.1431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5333 1253SOL HW1 5331 1.794 3.329 2.463 -0.6534 1.7214 -0.4268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5334 1253SOL HW2 5332 1.640 3.381 2.465 -1.6673 -1.1148 1.6835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5335 1254SOL OW 5333 1.141 2.548 2.558 -0.4766 0.4253 0.0840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5336 1254SOL HW1 5334 1.189 2.616 2.503 0.9167 0.0119 0.7372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5337 1254SOL HW2 5335 1.153 2.568 2.655 -1.2629 0.0614 0.2610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5338 1255SOL OW 5336 1.849 2.346 2.012 -0.3027 0.5806 -0.2032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5339 1255SOL HW1 5337 1.868 2.308 1.921 0.6596 -2.0372 1.0083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5340 1255SOL HW2 5338 1.757 2.321 2.040 0.6404 -1.9012 0.9752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5341 1256SOL OW 5339 0.778 2.883 2.931 0.0362 -0.4376 -0.3261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5342 1256SOL HW1 5340 0.737 2.950 2.993 0.8886 0.9077 -1.1551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5343 1256SOL HW2 5341 0.872 2.863 2.959 0.3822 0.0768 -1.0817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5344 1257SOL OW 5342 0.970 2.328 3.645 -0.6101 -0.1092 0.4536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5345 1257SOL HW1 5343 0.988 2.324 3.547 1.2527 -1.1895 0.8055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5346 1257SOL HW2 5344 1.010 2.412 3.683 0.4050 -0.6341 0.5847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5347 1258SOL OW 5345 0.921 2.888 2.537 0.0962 0.0615 0.1194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5348 1258SOL HW1 5346 0.918 2.793 2.569 -0.8917 -0.6521 -1.9516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5349 1258SOL HW2 5347 0.829 2.928 2.539 0.4876 0.9762 0.8860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5350 1259SOL OW 5348 0.605 3.158 3.714 0.1018 -0.1875 0.4722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5351 1259SOL HW1 5349 0.691 3.176 3.763 -0.7495 -0.4651 2.1509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5352 1259SOL HW2 5350 0.579 3.239 3.661 2.1222 -0.6068 -1.2630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5353 1260SOL OW 5351 0.351 3.024 2.829 -0.3620 0.0136 -0.3584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5354 1260SOL HW1 5352 0.293 2.994 2.905 -2.4077 -0.3411 -1.9690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5355 1260SOL HW2 5353 0.396 3.110 2.853 1.1758 -1.4111 2.2253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5356 1261SOL OW 5354 1.502 3.306 3.282 -0.3093 0.3659 -0.3416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5357 1261SOL HW1 5355 1.492 3.374 3.210 -1.6098 1.7327 1.0542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5358 1261SOL HW2 5356 1.412 3.284 3.321 0.2804 -0.8477 0.4149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5359 1262SOL OW 5357 0.437 2.136 3.142 -0.0386 -0.1023 -0.2021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5360 1262SOL HW1 5358 0.432 2.046 3.100 -1.0997 -0.1763 0.0671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5361 1262SOL HW2 5359 0.423 2.128 3.240 2.0359 0.1187 0.1635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5362 1263SOL OW 5360 1.597 2.500 2.475 0.3873 -0.1995 0.0350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5363 1263SOL HW1 5361 1.518 2.447 2.446 1.4330 -1.3924 -0.7255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5364 1263SOL HW2 5362 1.593 2.515 2.574 -0.0177 -1.5797 0.2441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5365 1264SOL OW 5363 0.273 3.575 2.577 -0.3840 0.1036 0.4045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5366 1264SOL HW1 5364 0.319 3.530 2.653 0.7851 0.9975 0.2535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5367 1264SOL HW2 5365 0.332 3.573 2.496 -0.0225 2.3392 0.5374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5368 1265SOL OW 5366 1.009 3.106 3.542 -0.2073 0.6947 -0.3797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5369 1265SOL HW1 5367 1.088 3.100 3.602 0.0390 2.1753 -0.5142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5370 1265SOL HW2 5368 1.029 3.059 3.456 0.8348 1.6937 -0.7092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5371 1266SOL OW 5369 0.259 3.024 2.288 0.1204 -0.6249 -0.3240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5372 1266SOL HW1 5370 0.175 3.053 2.243 1.2482 3.0067 -0.4321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5373 1266SOL HW2 5371 0.251 3.040 2.387 0.6737 -0.1693 -0.3452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5374 1267SOL OW 5372 0.448 2.791 2.701 -0.0811 0.1334 0.2582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5375 1267SOL HW1 5373 0.383 2.718 2.720 0.9974 -1.2189 -1.1094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5376 1267SOL HW2 5374 0.411 2.878 2.734 -1.2742 -1.0336 2.1502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5377 1268SOL OW 5375 0.514 3.759 3.166 -0.1337 -0.3990 -0.2402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5378 1268SOL HW1 5376 0.449 3.766 3.242 0.0442 0.1935 -0.1388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5379 1268SOL HW2 5377 0.601 3.724 3.199 0.1032 0.3424 -0.0742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5380 1269SOL OW 5378 0.675 2.852 2.102 -0.0749 0.2629 -0.0814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5381 1269SOL HW1 5379 0.700 2.837 2.007 -0.2803 -2.0150 0.1804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5382 1269SOL HW2 5380 0.757 2.876 2.155 0.3344 -0.1875 -0.5058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5383 1270SOL OW 5381 1.471 1.880 3.258 0.2497 0.0980 -0.1479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5384 1270SOL HW1 5382 1.523 1.958 3.224 -0.5168 0.5439 -0.3115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5385 1270SOL HW2 5383 1.373 1.899 3.252 0.0182 -1.1261 -0.8235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5386 1271SOL OW 5384 0.326 2.530 2.566 -0.3137 -0.9964 -0.0894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5387 1271SOL HW1 5385 0.323 2.434 2.539 -1.1404 -0.6538 -1.2934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5388 1271SOL HW2 5386 0.276 2.543 2.651 0.9372 -1.8391 0.8003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5389 1272SOL OW 5387 1.804 3.519 2.289 0.1400 0.4904 -0.0982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5390 1272SOL HW1 5388 1.769 3.462 2.214 0.5273 -0.0047 0.0916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5391 1272SOL HW2 5389 1.903 3.508 2.296 0.3498 1.8891 -0.6332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5392 1273SOL OW 5390 0.006 3.195 1.900 0.3729 0.3856 -0.0459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5393 1273SOL HW1 5391 0.057 3.155 1.824 1.7746 0.7071 0.6925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5394 1273SOL HW2 5392 -0.074 3.139 1.920 1.6282 -1.4066 0.1766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5395 1274SOL OW 5393 1.753 2.894 2.462 0.3802 0.0101 0.1076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5396 1274SOL HW1 5394 1.850 2.887 2.439 0.0759 0.6522 -1.5070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5397 1274SOL HW2 5395 1.705 2.942 2.389 -1.1004 0.0436 1.0646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5398 1275SOL OW 5396 1.903 3.160 2.192 0.1573 0.2699 -0.4465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5399 1275SOL HW1 5397 1.899 3.060 2.188 2.0379 0.1814 -0.8801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5400 1275SOL HW2 5398 1.941 3.189 2.280 0.2240 0.5768 -0.5733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5401 1276SOL OW 5399 0.295 2.535 3.561 -0.0494 0.3163 0.3708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5402 1276SOL HW1 5400 0.394 2.535 3.544 0.2306 0.7583 1.8972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5403 1276SOL HW2 5401 0.264 2.629 3.577 -0.3960 0.0114 1.5703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5404 1277SOL OW 5402 0.707 3.158 2.708 -0.4824 -0.1341 0.2640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5405 1277SOL HW1 5403 0.696 3.074 2.654 0.2344 0.1350 -0.3299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5406 1277SOL HW2 5404 0.699 3.238 2.647 -0.5165 0.2047 0.7084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5407 1278SOL OW 5405 1.374 2.986 3.476 1.0036 -1.2739 -0.1126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5408 1278SOL HW1 5406 1.302 3.041 3.519 -0.5963 -1.4159 -2.4277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5409 1278SOL HW2 5407 1.461 3.036 3.481 0.0410 0.5177 -0.2548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5410 1279SOL OW 5408 0.685 1.975 2.466 0.8130 -0.1649 -0.0657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5411 1279SOL HW1 5409 0.708 2.071 2.451 0.8589 -0.1183 0.2989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5412 1279SOL HW2 5410 0.586 1.962 2.459 0.7866 -0.0519 0.1088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5413 1280SOL OW 5411 0.549 2.805 3.343 0.2993 -0.4748 0.3434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5414 1280SOL HW1 5412 0.535 2.889 3.291 1.5524 0.7622 1.9028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5415 1280SOL HW2 5413 0.521 2.727 3.288 0.8354 0.8081 -1.8626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5416 1281SOL OW 5414 1.571 2.974 2.016 -0.5856 -0.0398 0.4703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5417 1281SOL HW1 5415 1.532 2.893 1.972 1.7412 -1.5856 1.0516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5418 1281SOL HW2 5416 1.582 2.957 2.114 -0.0806 0.9859 0.6015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5419 1282SOL OW 5417 1.249 3.555 3.494 0.0533 0.2579 -0.1057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5420 1282SOL HW1 5418 1.337 3.597 3.473 0.6378 -0.3169 1.0805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5421 1282SOL HW2 5419 1.214 3.508 3.412 0.5577 0.9729 -0.7475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5422 1283SOL OW 5420 0.551 2.329 3.764 0.3151 -0.5852 -0.0976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5423 1283SOL HW1 5421 0.458 2.362 3.774 0.9268 1.6997 -1.3563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5424 1283SOL HW2 5422 0.614 2.390 3.813 1.2344 -1.7335 0.2093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5425 1284SOL OW 5423 1.582 3.368 2.880 -0.3755 -0.1156 0.2111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5426 1284SOL HW1 5424 1.523 3.310 2.935 1.2407 -1.9157 0.1466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5427 1284SOL HW2 5425 1.599 3.324 2.792 -0.2879 1.1761 -0.4379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5428 1285SOL OW 5426 1.795 3.772 2.410 -1.3620 0.1828 0.5856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5429 1285SOL HW1 5427 1.771 3.680 2.378 -3.1364 0.6492 0.4508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5430 1285SOL HW2 5428 1.717 3.811 2.459 0.8862 -0.1373 4.8169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5431 1286SOL OW 5429 0.522 2.470 2.183 0.3246 -0.6608 -0.2816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5432 1286SOL HW1 5430 0.513 2.373 2.203 -2.4573 -0.5826 -0.7306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5433 1286SOL HW2 5431 0.520 2.522 2.268 -0.7295 -0.8827 -0.1593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5434 1287SOL OW 5432 1.435 2.386 2.854 0.2593 -0.3305 0.2944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5435 1287SOL HW1 5433 1.358 2.324 2.841 -0.1225 0.4640 -1.6731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5436 1287SOL HW2 5434 1.453 2.397 2.952 -1.0346 -1.8247 0.7463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5437 1288SOL OW 5435 1.574 3.691 1.970 0.0327 0.1173 0.1003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5438 1288SOL HW1 5436 1.644 3.686 2.041 0.6609 -1.5589 -0.5901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5439 1288SOL HW2 5437 1.543 3.599 1.947 -1.0622 0.7092 -0.9180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5440 1289SOL OW 5438 0.750 2.422 3.323 0.2600 -0.3447 -0.5805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5441 1289SOL HW1 5439 0.788 2.348 3.379 0.9212 -0.6496 -1.4230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5442 1289SOL HW2 5440 0.720 2.385 3.235 -2.7034 -0.2748 0.2687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5443 1290SOL OW 5441 1.374 2.289 3.451 0.2365 -0.1384 -0.5306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5444 1290SOL HW1 5442 1.384 2.291 3.551 0.0670 -0.5315 -0.5082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5445 1290SOL HW2 5443 1.464 2.305 3.409 0.2870 0.1550 -0.3185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5446 1291SOL OW 5444 1.034 2.633 3.436 0.7091 -0.3629 0.4590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5447 1291SOL HW1 5445 1.042 2.540 3.401 0.2613 -0.5002 0.7143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5448 1291SOL HW2 5446 1.125 2.669 3.456 0.8777 -0.7777 0.4446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5449 1292SOL OW 5447 0.996 2.149 3.146 -0.1135 0.2967 -0.5902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5450 1292SOL HW1 5448 0.901 2.167 3.173 -0.5070 1.3749 -2.4900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5451 1292SOL HW2 5449 0.997 2.089 3.066 0.8158 0.2790 -0.5761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5452 1293SOL OW 5450 1.040 2.483 2.204 0.0948 0.0572 -0.8674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5453 1293SOL HW1 5451 1.066 2.515 2.295 1.7683 -2.3456 -0.4064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5454 1293SOL HW2 5452 0.940 2.477 2.198 -0.0526 -1.5805 1.5752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5455 1294SOL OW 5453 0.089 2.767 2.739 -0.4830 -0.5625 -0.1850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5456 1294SOL HW1 5454 0.132 2.692 2.789 1.3232 1.2104 1.0544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5457 1294SOL HW2 5455 0.090 2.850 2.794 -4.8472 -0.1123 -0.4257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5458 1295SOL OW 5456 0.098 3.839 3.534 -0.4919 0.2951 -0.1455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5459 1295SOL HW1 5457 0.103 3.812 3.631 -0.7012 -1.5665 -0.6104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5460 1295SOL HW2 5458 0.020 3.793 3.491 -1.3763 2.3688 -0.8441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5461 1296SOL OW 5459 0.824 2.228 1.680 0.7957 0.4584 -0.1711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5462 1296SOL HW1 5460 0.915 2.187 1.666 0.6771 -0.3572 1.2157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5463 1296SOL HW2 5461 0.784 2.190 1.764 -0.5867 1.2467 -0.4583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5464 1297SOL OW 5462 1.719 2.545 3.741 0.6124 -0.0883 0.1395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5465 1297SOL HW1 5463 1.813 2.513 3.755 0.4458 -0.6222 0.0492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5466 1297SOL HW2 5464 1.691 2.526 3.648 0.4763 0.2458 0.1100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5467 1298SOL OW 5465 1.634 3.059 2.281 0.5121 -0.1035 -0.8380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5468 1298SOL HW1 5466 1.698 3.127 2.243 0.3952 -0.0945 -1.0183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5469 1298SOL HW2 5467 1.547 3.104 2.302 1.3182 0.4236 1.6434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5470 1299SOL OW 5468 0.670 1.945 3.000 -0.6223 0.6494 0.3229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5471 1299SOL HW1 5469 0.589 1.900 3.037 0.7474 -1.0870 1.4105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5472 1299SOL HW2 5470 0.702 2.015 3.064 -1.0158 1.0281 0.1033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5473 1300SOL OW 5471 1.138 3.279 2.411 0.0544 -0.3833 -0.1460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5474 1300SOL HW1 5472 1.092 3.368 2.407 -2.3348 -1.4974 0.9072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5475 1300SOL HW2 5473 1.152 3.253 2.506 -0.0362 -1.5210 -0.4332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5476 1301SOL OW 5474 0.451 3.497 2.792 0.3577 -0.1458 -0.0809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5477 1301SOL HW1 5475 0.490 3.415 2.835 0.7679 0.4271 0.6708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5478 1301SOL HW2 5476 0.524 3.565 2.780 0.0155 0.1186 -0.6791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5479 1302SOL OW 5477 1.827 2.842 2.708 0.0573 -0.1517 0.1909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5480 1302SOL HW1 5478 1.805 2.869 2.615 1.7314 0.2176 -0.1294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5481 1302SOL HW2 5479 1.775 2.898 2.773 1.6276 2.2343 -0.4940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5482 1303SOL OW 5480 1.246 3.261 3.334 0.2667 0.0390 -0.0194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5483 1303SOL HW1 5481 1.224 3.164 3.351 1.1239 -0.1429 0.1007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5484 1303SOL HW2 5482 1.162 3.315 3.338 -0.0735 -0.5297 1.1364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5485 1304SOL OW 5483 0.402 2.775 1.942 -0.5675 -1.0799 0.0114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5486 1304SOL HW1 5484 0.474 2.757 2.009 1.3245 0.8383 -1.3709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5487 1304SOL HW2 5485 0.409 2.709 1.868 1.5051 0.5379 -1.3523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5488 1305SOL OW 5486 1.522 2.749 2.365 -0.0098 -0.0720 0.2606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5489 1305SOL HW1 5487 1.563 2.665 2.402 -0.8182 0.0040 1.3811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5490 1305SOL HW2 5488 1.566 2.829 2.406 -0.7590 0.0137 0.9392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5491 1306SOL OW 5489 0.441 3.498 3.727 -0.3897 -0.3087 -0.0141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5492 1306SOL HW1 5490 0.399 3.500 3.636 -1.2489 -2.7004 0.2427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5493 1306SOL HW2 5491 0.370 3.486 3.796 0.3493 0.3755 0.8801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5494 1307SOL OW 5492 1.096 3.600 2.091 -0.0322 -0.3209 -0.8553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5495 1307SOL HW1 5493 1.070 3.584 2.186 -0.6004 0.4942 -0.8570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5496 1307SOL HW2 5494 1.139 3.519 2.053 0.7625 -0.4473 0.2865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5497 1308SOL OW 5495 0.318 2.100 3.395 0.3877 -0.0137 -0.2452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5498 1308SOL HW1 5496 0.255 2.178 3.390 0.9961 0.4505 -0.7388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5499 1308SOL HW2 5497 0.298 2.047 3.477 0.0439 0.7325 0.1628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5500 1309SOL OW 5498 1.739 3.365 2.086 -0.1511 -0.2119 -0.4411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5501 1309SOL HW1 5499 1.800 3.291 2.113 -0.6731 -0.2200 0.7848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5502 1309SOL HW2 5500 1.654 3.326 2.051 0.0688 -0.1944 -0.9988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5503 1310SOL OW 5501 0.424 3.593 2.332 -0.0031 0.1199 0.0925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5504 1310SOL HW1 5502 0.457 3.669 2.275 0.3643 0.4153 0.6902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5505 1310SOL HW2 5503 0.479 3.512 2.314 1.3618 0.7110 1.3678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5506 1311SOL OW 5504 1.430 2.200 2.258 0.8621 0.3568 -0.6636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5507 1311SOL HW1 5505 1.374 2.127 2.221 0.5261 1.0339 -1.5395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5508 1311SOL HW2 5506 1.483 2.166 2.335 -0.8110 -0.2748 0.2465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5509 1312SOL OW 5507 0.168 3.715 3.088 -0.6398 -0.5242 0.2887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5510 1312SOL HW1 5508 0.225 3.709 3.170 1.6336 -0.3462 -1.2152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5511 1312SOL HW2 5509 0.193 3.642 3.025 -1.9736 -0.3105 -0.5200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5512 1313SOL OW 5510 0.951 3.535 2.646 0.8290 0.1582 -0.4990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5513 1313SOL HW1 5511 1.041 3.492 2.641 0.6375 -0.6343 1.7321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5514 1313SOL HW2 5512 0.881 3.472 2.614 0.9522 0.4181 -1.3035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5515 1314SOL OW 5513 0.531 2.621 2.415 0.2049 -0.7469 0.0564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5516 1314SOL HW1 5514 0.450 2.595 2.467 -0.6304 -0.3748 -1.0092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5517 1314SOL HW2 5515 0.512 2.706 2.364 1.6958 0.0596 0.7757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5518 1315SOL OW 5516 1.508 1.929 3.719 0.1568 -0.6534 0.0200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5519 1315SOL HW1 5517 1.495 1.845 3.666 -2.0366 0.4459 -1.3288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5520 1315SOL HW2 5518 1.554 1.998 3.664 -0.5903 -0.0598 0.1214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5521 1316SOL OW 5519 0.751 2.054 1.923 0.6537 0.0932 0.2378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5522 1316SOL HW1 5520 0.831 2.000 1.897 -0.7363 -1.9986 -0.0215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5523 1316SOL HW2 5521 0.669 2.010 1.887 -0.6152 2.2938 0.2868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5524 1317SOL OW 5522 0.777 2.156 3.523 -0.1775 -0.1771 0.4037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5525 1317SOL HW1 5523 0.699 2.132 3.581 -0.3977 -0.4861 -0.0145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5526 1317SOL HW2 5524 0.852 2.190 3.580 -1.4850 2.6094 0.6461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5527 1318SOL OW 5525 0.972 3.262 3.110 0.9036 0.6093 -0.1231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5528 1318SOL HW1 5526 0.957 3.236 3.014 1.9321 0.5532 -0.2829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5529 1318SOL HW2 5527 1.004 3.182 3.161 0.1461 0.5872 0.3225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5530 1319SOL OW 5528 1.194 2.433 3.118 0.6843 -0.0393 0.2848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5531 1319SOL HW1 5529 1.288 2.432 3.151 0.0630 -0.7882 2.1642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5532 1319SOL HW2 5530 1.152 2.521 3.141 0.5435 -0.1965 0.6379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5533 1320SOL OW 5531 0.936 3.181 2.845 -0.4633 -0.2892 -0.0623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5534 1320SOL HW1 5532 1.025 3.165 2.802 -0.0950 0.3079 0.4631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5535 1320SOL HW2 5533 0.864 3.170 2.777 0.1251 0.9380 -0.9148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5536 1321SOL OW 5534 1.178 2.267 2.906 0.3331 -0.3815 -0.2325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5537 1321SOL HW1 5535 1.163 2.318 2.991 0.9193 -1.0243 0.2623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5538 1321SOL HW2 5536 1.145 2.173 2.918 -1.0665 -0.0511 -1.2544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5539 1322SOL OW 5537 0.421 1.980 2.387 0.4204 0.6276 0.3268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5540 1322SOL HW1 5538 0.355 1.974 2.462 1.2405 2.9915 1.3462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5541 1322SOL HW2 5539 0.409 2.067 2.339 0.5790 -0.4060 -1.7029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5542 1323SOL OW 5540 1.439 3.113 1.829 -0.1226 -0.8745 0.2165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5543 1323SOL HW1 5541 1.475 3.061 1.907 -1.1936 -0.1469 1.2304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5544 1323SOL HW2 5542 1.345 3.141 1.848 0.0204 0.4118 -0.8158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5545 1324SOL OW 5543 0.336 1.953 2.057 -0.1066 -0.0131 0.4300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5546 1324SOL HW1 5544 0.355 2.036 2.006 0.4217 -0.1942 0.3292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5547 1324SOL HW2 5545 0.421 1.916 2.094 -0.4902 0.1503 1.4977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5548 1325SOL OW 5546 0.781 2.214 2.451 0.1137 0.4341 0.3106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5549 1325SOL HW1 5547 0.787 2.285 2.380 0.8084 0.9473 0.8613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5550 1325SOL HW2 5548 0.864 2.218 2.508 0.9209 -1.8800 -0.6112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5551 1326SOL OW 5549 1.076 2.350 3.403 0.0234 0.4379 0.1240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5552 1326SOL HW1 5550 1.057 2.298 3.319 -1.0624 2.0662 -0.6805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5553 1326SOL HW2 5551 1.175 2.354 3.417 0.2872 0.8825 -1.5865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5554 1327SOL OW 5552 1.172 3.382 2.678 0.2320 -0.2526 0.5211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5555 1327SOL HW1 5553 1.244 3.437 2.637 0.4465 -0.8658 0.0499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5556 1327SOL HW2 5554 1.175 3.391 2.778 -0.6797 1.7301 0.4030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5557 1328SOL OW 5555 0.613 2.953 2.529 0.3681 -0.4034 -0.8606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5558 1328SOL HW1 5556 0.554 2.902 2.592 1.9793 -1.1161 0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5559 1328SOL HW2 5557 0.589 2.930 2.435 -2.0116 0.5745 -0.5621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5560 1329SOL OW 5558 1.338 3.584 2.602 0.0008 0.0585 -0.1233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5561 1329SOL HW1 5559 1.263 3.642 2.571 -0.2456 0.0359 0.4163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5562 1329SOL HW2 5560 1.393 3.633 2.669 0.7260 0.2272 -0.8259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5563 1330SOL OW 5561 1.195 2.473 1.740 0.2246 -0.6001 0.5549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5564 1330SOL HW1 5562 1.099 2.492 1.720 0.3879 -0.9330 -0.6473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5565 1330SOL HW2 5563 1.211 2.476 1.839 -0.8903 0.0374 0.7204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5566 1331SOL OW 5564 7.256 2.341 3.220 -0.2735 -0.7355 0.3147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5567 1331SOL HW1 5565 7.294 2.298 3.138 0.3028 -0.2046 0.2997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5568 1331SOL HW2 5566 7.329 2.357 3.286 -0.1373 1.7144 -0.3182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5569 1332SOL OW 5567 0.438 1.859 3.095 0.2978 -0.3257 -0.3671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5570 1332SOL HW1 5568 0.425 1.830 3.190 0.1070 0.1440 -0.2517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5571 1332SOL HW2 5569 0.373 1.810 3.037 1.0388 -1.3167 -0.3896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5572 1333SOL OW 5570 0.602 2.354 2.628 0.1453 0.1740 -0.5673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5573 1333SOL HW1 5571 0.607 2.454 2.625 0.1878 0.2065 0.3658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5574 1333SOL HW2 5572 0.681 2.315 2.580 0.4178 0.5872 -0.4607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5575 1334SOL OW 5573 0.949 1.886 2.578 0.2105 -0.6546 -0.7392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5576 1334SOL HW1 5574 0.863 1.922 2.542 -0.1638 -1.0384 -0.2500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5577 1334SOL HW2 5575 0.935 1.790 2.604 0.7224 -0.6424 -0.4279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5578 1335SOL OW 5576 1.554 3.152 2.668 0.4759 -0.2171 0.3836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5579 1335SOL HW1 5577 1.464 3.114 2.644 0.6739 -0.0982 -0.5908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5580 1335SOL HW2 5578 1.588 3.207 2.591 1.0955 0.2715 1.0007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5581 1336SOL OW 5579 1.616 2.578 2.769 -0.1782 0.2427 -0.3831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5582 1336SOL HW1 5580 1.570 2.492 2.790 0.2481 0.1888 0.4075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5583 1336SOL HW2 5581 1.684 2.597 2.841 -0.5549 1.4374 -0.3220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5584 1337SOL OW 5582 1.851 2.612 2.123 -0.0219 0.1958 0.4292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5585 1337SOL HW1 5583 1.898 2.623 2.210 -0.7628 1.5402 0.6777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5586 1337SOL HW2 5584 1.858 2.517 2.093 1.3327 -0.0080 1.3134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5587 1338SOL OW 5585 0.643 3.161 1.781 0.1810 0.1529 -0.5032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5588 1338SOL HW1 5586 0.563 3.116 1.820 0.0438 -0.7819 -1.7735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5589 1338SOL HW2 5587 0.725 3.135 1.833 -0.4097 1.9131 1.4293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5590 1339SOL OW 5588 1.964 3.270 2.419 -0.6985 -0.0211 -0.1746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5591 1339SOL HW1 5589 1.966 3.220 2.505 0.1748 0.3680 0.0380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5592 1339SOL HW2 5590 2.025 3.349 2.424 0.0553 -0.4780 -1.4296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5593 1340SOL OW 5591 1.490 2.390 1.714 0.2866 -0.0281 -0.0730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5594 1340SOL HW1 5592 1.392 2.411 1.718 -0.0278 -1.2099 -0.7508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5595 1340SOL HW2 5593 1.508 2.306 1.765 0.5922 -0.8968 -1.5391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5596 1341SOL OW 5594 0.582 2.196 2.106 0.2970 0.1561 0.1302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5597 1341SOL HW1 5595 0.636 2.118 2.074 -3.2503 -2.0585 -1.1005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5598 1341SOL HW2 5596 0.590 2.271 2.040 2.1657 0.1063 0.2481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5599 1342SOL OW 5597 1.951 3.150 3.188 -0.0522 -0.1848 0.2931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5600 1342SOL HW1 5598 1.983 3.058 3.209 1.6906 0.9147 3.1658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5601 1342SOL HW2 5599 1.929 3.198 3.273 -1.2911 1.9496 -1.1190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5602 1343SOL OW 5600 1.064 3.041 3.263 -0.0604 -0.1071 0.1473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5603 1343SOL HW1 5601 0.977 2.992 3.267 -0.0248 -0.0798 1.7493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5604 1343SOL HW2 5602 1.127 2.992 3.202 -0.4595 -1.3457 0.6978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5605 1344SOL OW 5603 1.586 3.471 3.515 -0.0753 0.1684 -0.6234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5606 1344SOL HW1 5604 1.584 3.565 3.481 -0.1164 -0.2986 -1.9561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5607 1344SOL HW2 5605 1.607 3.408 3.440 1.8902 -0.7441 0.6214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5608 1345SOL OW 5606 1.336 3.031 2.890 -0.1034 0.4214 -0.5665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5609 1345SOL HW1 5607 1.419 2.983 2.859 0.0953 0.0368 0.5205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5610 1345SOL HW2 5608 1.259 3.005 2.832 0.3845 0.2144 -1.1336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5611 1346SOL OW 5609 1.678 3.015 2.861 -0.4156 -0.1376 -0.0476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5612 1346SOL HW1 5610 1.695 3.058 2.950 1.2189 1.4364 -1.0318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5613 1346SOL HW2 5611 1.628 3.079 2.803 -1.0793 -0.9829 -0.4171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5614 1347SOL OW 5612 0.907 1.863 3.209 0.4608 -0.2195 0.6714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5615 1347SOL HW1 5613 0.997 1.881 3.249 0.9464 2.3317 -1.3202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5616 1347SOL HW2 5614 0.914 1.790 3.142 1.9104 2.0394 -1.8230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5617 1348SOL OW 5615 0.948 2.793 3.620 0.1259 -0.4668 -0.0646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5618 1348SOL HW1 5616 0.853 2.822 3.606 0.7935 1.3675 -1.1050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5619 1348SOL HW2 5617 0.973 2.727 3.549 0.2782 0.7760 -1.2096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5620 1349SOL OW 5618 0.917 2.869 2.272 -0.5268 0.3439 -0.0220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5621 1349SOL HW1 5619 0.918 2.859 2.371 -0.2397 1.3986 0.0965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5622 1349SOL HW2 5620 0.948 2.784 2.229 -0.5679 -0.0911 0.7866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5623 1350SOL OW 5621 0.411 2.622 3.122 -0.1178 0.0244 0.6735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5624 1350SOL HW1 5622 0.487 2.651 3.064 -0.7055 0.4881 0.1272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5625 1350SOL HW2 5623 0.386 2.528 3.099 -0.1499 0.1019 0.3811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5626 1351SOL OW 5624 1.279 2.112 3.151 0.3739 0.0985 0.3075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5627 1351SOL HW1 5625 1.340 2.183 3.186 0.5704 -0.4026 0.9990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5628 1351SOL HW2 5626 1.184 2.141 3.161 0.4416 0.1203 0.9280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5629 1352SOL OW 5627 0.174 3.411 3.430 0.0312 0.0714 -0.1677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5630 1352SOL HW1 5628 0.088 3.403 3.479 0.3508 0.4817 0.4749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5631 1352SOL HW2 5629 0.174 3.349 3.352 0.0404 -1.6008 1.1065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5632 1353SOL OW 5630 0.502 2.862 2.316 -0.3217 -0.2763 0.3821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5633 1353SOL HW1 5631 0.426 2.924 2.298 -1.6544 -1.9359 0.0665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5634 1353SOL HW2 5632 0.559 2.855 2.234 -0.4599 0.1003 0.2507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5635 1354SOL OW 5633 0.366 2.252 2.543 -0.4338 0.0150 -0.6497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5636 1354SOL HW1 5634 0.380 2.182 2.473 -1.1037 -1.3082 0.4752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5637 1354SOL HW2 5635 0.451 2.266 2.594 -0.6199 -1.0068 -0.0147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5638 1355SOL OW 5636 1.429 3.244 2.280 0.1452 -0.1924 0.2109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5639 1355SOL HW1 5637 1.461 3.331 2.317 1.5922 0.7939 -2.9482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5640 1355SOL HW2 5638 1.334 3.229 2.306 0.1778 1.8070 1.7036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5641 1356SOL OW 5639 1.360 3.264 3.024 -0.2716 0.2503 0.5445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5642 1356SOL HW1 5640 1.374 3.240 3.120 0.7726 -0.3664 0.2532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5643 1356SOL HW2 5641 1.348 3.181 2.970 0.7500 0.4971 -0.0874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5644 1357SOL OW 5642 1.573 2.601 2.140 0.1726 0.0299 -0.1870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5645 1357SOL HW1 5643 1.528 2.635 2.223 -1.1739 -2.6445 0.3193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5646 1357SOL HW2 5644 1.672 2.617 2.147 -0.1797 2.0923 0.7497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5647 1358SOL OW 5645 0.225 3.300 3.133 -0.0249 -0.1257 0.6014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5648 1358SOL HW1 5646 0.306 3.250 3.105 0.8980 0.7698 1.5681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5649 1358SOL HW2 5647 0.205 3.372 3.066 -0.6819 -1.0245 -0.1947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5650 1359SOL OW 5648 0.618 2.690 3.727 0.1097 -0.6855 0.4268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5651 1359SOL HW1 5649 0.619 2.639 3.641 0.6527 -0.8827 0.5407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5652 1359SOL HW2 5650 0.684 2.649 3.790 0.7476 0.3129 0.4283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5653 1360SOL OW 5651 1.741 2.809 3.581 -0.0649 -0.0995 0.2407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5654 1360SOL HW1 5652 1.646 2.803 3.610 -0.5544 1.6216 -0.8217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5655 1360SOL HW2 5653 1.745 2.838 3.485 1.5149 -2.4948 -0.5202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5656 1361SOL OW 5654 0.953 1.866 3.714 -0.1630 0.6839 -0.1831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5657 1361SOL HW1 5655 1.016 1.943 3.703 0.1452 0.6964 1.4095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5658 1361SOL HW2 5656 1.000 1.781 3.691 0.4433 0.7000 0.9304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5659 1362SOL OW 5657 0.552 2.052 3.675 -0.1363 0.7612 0.0023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5660 1362SOL HW1 5658 0.495 1.971 3.690 1.4773 -0.1692 1.5439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5661 1362SOL HW2 5659 0.519 2.127 3.732 0.5017 0.0347 1.3771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5662 1363SOL OW 5660 0.579 2.680 2.938 0.1738 -0.4454 -0.8999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5663 1363SOL HW1 5661 0.535 2.737 2.869 0.1744 -0.2123 -0.7114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5664 1363SOL HW2 5662 0.676 2.704 2.944 0.5855 -1.7292 -2.0981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5665 1364SOL OW 5663 1.395 2.767 2.747 -0.1742 -0.1066 0.0922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5666 1364SOL HW1 5664 1.313 2.708 2.751 -1.9620 2.2995 1.7377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5667 1364SOL HW2 5665 1.476 2.712 2.769 -1.7425 -1.9772 1.6913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5668 1365SOL OW 5666 1.254 2.471 2.016 -0.6918 0.1488 0.0404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5669 1365SOL HW1 5667 1.324 2.489 2.086 -1.1818 2.2658 0.0352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5670 1365SOL HW2 5668 1.166 2.455 2.061 -0.6710 -0.2302 -0.0481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5671 1366SOL OW 5669 0.048 1.972 3.142 0.2493 -0.6073 0.2425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5672 1366SOL HW1 5670 0.111 1.965 3.220 1.5788 2.8286 -0.3246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5673 1366SOL HW2 5671 0.068 1.899 3.077 1.0076 -1.8780 1.8191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5674 1367SOL OW 5672 0.051 3.163 3.598 -0.5590 1.2751 0.4882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5675 1367SOL HW1 5673 0.069 3.091 3.666 1.0075 1.3235 0.1731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5676 1367SOL HW2 5674 0.131 3.222 3.591 -0.8081 1.4573 -1.1783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5677 1368SOL OW 5675 0.631 2.393 2.900 0.7571 0.1203 -0.4215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5678 1368SOL HW1 5676 0.630 2.370 2.802 1.8066 -1.2985 -0.1311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5679 1368SOL HW2 5677 0.614 2.491 2.911 1.5398 0.4833 -2.0876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5680 1369SOL OW 5678 1.978 2.743 3.703 -0.2550 0.0070 0.3385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5681 1369SOL HW1 5679 1.896 2.754 3.646 0.3918 -0.5938 -0.7348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5682 1369SOL HW2 5680 1.950 2.735 3.799 -1.6915 -2.4959 -0.1855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5683 1370SOL OW 5681 0.224 1.869 2.553 -0.2117 0.5222 0.1314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5684 1370SOL HW1 5682 0.159 1.944 2.557 -2.7493 -1.5266 -0.3185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5685 1370SOL HW2 5683 0.263 1.854 2.644 -1.6742 0.7173 0.8076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5686 1371SOL OW 5684 1.580 2.326 2.072 0.2317 -0.0174 -0.3741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5687 1371SOL HW1 5685 1.513 2.266 2.116 0.6714 -1.6155 -1.8106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5688 1371SOL HW2 5686 1.576 2.417 2.115 -1.4863 -0.6218 0.8502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5689 1372SOL OW 5687 1.194 2.585 2.818 0.3783 -0.0314 0.2153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5690 1372SOL HW1 5688 1.106 2.578 2.866 -0.5054 0.0940 -1.3140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5691 1372SOL HW2 5689 1.255 2.514 2.851 -0.2301 -0.0227 1.4266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5692 1373SOL OW 5690 0.855 3.318 3.487 -0.1080 0.3330 -0.7226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5693 1373SOL HW1 5691 0.930 3.364 3.439 0.0891 1.0217 0.2091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5694 1373SOL HW2 5692 0.886 3.229 3.520 -0.1303 0.0208 -1.5187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5695 1374SOL OW 5693 1.861 3.268 3.410 0.3681 0.1936 0.1254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5696 1374SOL HW1 5694 1.884 3.360 3.380 0.7902 0.6806 1.8017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5697 1374SOL HW2 5695 1.889 3.256 3.506 -0.4143 -1.4107 0.1962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5698 1375SOL OW 5696 0.472 2.907 3.707 0.2614 0.1686 -0.5962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5699 1375SOL HW1 5697 0.521 2.994 3.716 -0.7325 0.5304 4.3851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5700 1375SOL HW2 5698 0.536 2.832 3.723 0.2049 0.3809 0.8001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5701 1376SOL OW 5699 1.465 2.165 1.873 0.2248 -0.3745 0.2282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5702 1376SOL HW1 5700 1.398 2.109 1.921 -1.6563 0.6226 -1.0743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5703 1376SOL HW2 5701 1.531 2.203 1.938 0.2677 -2.3484 1.3825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5704 1377SOL OW 5702 1.569 2.653 1.694 -0.1675 -0.0165 -0.3426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5705 1377SOL HW1 5703 1.551 2.556 1.708 -3.0455 0.3913 -0.4533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5706 1377SOL HW2 5704 1.491 2.694 1.645 0.3187 2.6109 0.9154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5707 1378SOL OW 5705 1.125 2.995 2.685 0.2550 -0.0196 -0.2672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5708 1378SOL HW1 5706 1.201 2.992 2.620 -0.6214 0.4890 -1.3387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5709 1378SOL HW2 5707 1.043 2.956 2.643 -0.5960 1.2510 0.1446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5710 1379SOL OW 5708 0.259 2.605 2.862 0.0422 0.2949 0.1577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5711 1379SOL HW1 5709 0.319 2.608 2.942 2.7392 0.2788 -1.7314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5712 1379SOL HW2 5710 0.214 2.516 2.858 -3.4711 1.6309 3.7519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5713 1380SOL OW 5711 0.187 2.354 2.781 0.3914 0.5018 -0.6068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5714 1380SOL HW1 5712 0.193 2.276 2.842 0.0231 0.4543 -0.6296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5715 1380SOL HW2 5713 0.193 2.323 2.686 1.9186 0.6609 -0.5973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5716 1381SOL OW 5714 1.264 2.044 3.498 -0.1430 0.0077 -0.7005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5717 1381SOL HW1 5715 1.226 2.059 3.589 0.7587 -0.6714 -0.2029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5718 1381SOL HW2 5716 1.299 2.130 3.462 2.0140 -0.2042 0.7627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5719 1382SOL OW 5717 1.170 1.895 3.290 0.2413 0.4846 -0.3249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5720 1382SOL HW1 5718 1.194 1.932 3.379 -0.3902 0.0669 0.0299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5721 1382SOL HW2 5719 1.181 1.965 3.220 0.4940 0.8901 0.1236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5722 1383SOL OW 5720 0.152 2.954 1.791 0.4051 -0.0988 0.6483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5723 1383SOL HW1 5721 0.106 2.989 1.709 0.7366 1.5575 1.1305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5724 1383SOL HW2 5722 0.084 2.912 1.852 0.2450 -1.9761 -0.7257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5725 1384SOL OW 5723 0.232 3.491 2.947 -0.5365 0.0988 -0.4229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5726 1384SOL HW1 5724 0.180 3.424 2.895 -0.7800 0.1158 -0.2041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5727 1384SOL HW2 5725 0.325 3.496 2.911 -0.5711 -0.2192 -0.5640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5728 1385SOL OW 5726 0.526 3.242 2.911 0.1010 -0.0054 -0.4096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5729 1385SOL HW1 5727 0.582 3.252 2.993 -0.9607 -1.6491 0.5555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5730 1385SOL HW2 5728 0.580 3.196 2.840 -0.1525 -2.1909 0.7363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5731 1386SOL OW 5729 0.945 2.520 2.935 -0.2050 0.5425 -0.1634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5732 1386SOL HW1 5730 0.943 2.424 2.964 -0.2753 -0.2191 -2.4669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5733 1386SOL HW2 5731 0.962 2.579 3.014 0.5930 -1.4135 1.1968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5734 1387SOL OW 5732 7.199 2.468 2.896 0.5943 0.3824 0.3956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5735 1387SOL HW1 5733 7.280 2.443 2.843 0.5400 0.3708 0.3293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5736 1387SOL HW2 5734 7.206 2.563 2.925 1.5926 -0.1556 2.1032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5737 1388SOL OW 5735 0.143 2.305 3.451 0.4773 -0.4297 0.4224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5738 1388SOL HW1 5736 0.106 2.277 3.539 -0.1676 -0.9557 -0.0078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5739 1388SOL HW2 5737 0.226 2.358 3.465 0.0892 -0.0600 1.3620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5740 1389SOL OW 5738 1.278 2.751 3.431 -0.1801 0.5275 0.1107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5741 1389SOL HW1 5739 1.310 2.841 3.459 -1.0572 0.1908 2.4131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5742 1389SOL HW2 5740 1.335 2.717 3.355 1.2373 2.2676 0.3371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5743 1390SOL OW 5741 0.789 2.489 2.111 -0.3925 0.8334 -0.2770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5744 1390SOL HW1 5742 0.821 2.574 2.070 -0.6745 1.6348 1.0919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5745 1390SOL HW2 5743 0.689 2.487 2.109 -0.3770 0.3374 -0.6735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5746 1391SOL OW 5744 1.735 2.574 3.024 0.3318 -0.1203 0.7693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5747 1391SOL HW1 5745 1.677 2.501 3.061 2.3422 -2.4560 -0.4073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5748 1391SOL HW2 5746 1.830 2.554 3.044 0.9784 2.1544 0.2242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5749 1392SOL OW 5747 0.463 3.785 3.594 -0.1050 0.1587 0.4725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5750 1392SOL HW1 5748 0.416 3.786 3.682 -2.0238 -0.2001 -0.4812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5751 1392SOL HW2 5749 0.472 3.691 3.563 0.8994 0.2601 0.4502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5752 1393SOL OW 5750 0.682 2.247 3.127 0.0073 -0.0591 0.0929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5753 1393SOL HW1 5751 0.600 2.214 3.174 0.4768 0.5977 1.4215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5754 1393SOL HW2 5752 0.656 2.286 3.039 -0.8872 -1.4105 -0.2654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5755 1394SOL OW 5753 1.036 3.424 3.321 0.1959 -0.4776 0.3169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5756 1394SOL HW1 5754 1.023 3.379 3.233 0.8918 -0.6705 0.3084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5757 1394SOL HW2 5755 1.012 3.520 3.314 -1.8246 -0.9264 0.4614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5758 1395SOL OW 5756 0.575 2.348 1.855 -0.2412 -0.1121 -0.2638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5759 1395SOL HW1 5757 0.669 2.361 1.822 0.0132 1.5660 0.9885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5760 1395SOL HW2 5758 0.522 2.430 1.835 -0.8542 -0.1971 0.9361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5761 1396SOL OW 5759 0.219 2.771 3.262 0.3150 0.3057 -0.0679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5762 1396SOL HW1 5760 0.243 2.789 3.358 3.0972 1.7262 -0.9177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5763 1396SOL HW2 5761 0.266 2.688 3.231 -2.6969 -1.7312 0.4182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5764 1397SOL OW 5762 1.256 2.901 3.140 0.0812 0.1388 -0.1021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5765 1397SOL HW1 5763 1.338 2.871 3.190 -0.6212 -1.7625 -0.0117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5766 1397SOL HW2 5764 1.284 2.946 3.054 1.2286 1.1701 0.7724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5767 1398SOL OW 5765 1.462 2.753 1.928 -0.6298 -0.7283 0.4239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5768 1398SOL HW1 5766 1.510 2.692 1.992 -0.6193 -0.7117 0.4316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5769 1398SOL HW2 5767 1.462 2.712 1.837 2.0191 0.6488 -0.2846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5770 1399SOL OW 5768 1.729 3.751 3.045 0.3084 -0.3272 -0.2231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5771 1399SOL HW1 5769 1.794 3.827 3.039 -0.3304 0.0934 -2.6177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5772 1399SOL HW2 5770 1.778 3.665 3.035 0.6424 -0.0481 -1.1147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5773 1400SOL OW 5771 1.243 3.490 2.922 0.3640 -0.4044 0.1603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5774 1400SOL HW1 5772 1.327 3.516 2.875 -0.0687 -1.4890 -1.2933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5775 1400SOL HW2 5773 1.257 3.405 2.971 0.3105 -0.2051 0.5250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5776 1401SOL OW 5774 0.301 2.985 3.106 0.5558 0.5936 0.1876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5777 1401SOL HW1 5775 0.270 2.912 3.167 1.5592 -0.0184 -0.0039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5778 1401SOL HW2 5776 0.241 3.064 3.116 -1.1881 -0.5836 -0.3291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5779 1402SOL OW 5777 0.651 3.407 3.373 0.0199 -0.2980 0.2399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5780 1402SOL HW1 5778 0.675 3.503 3.356 0.2840 -0.7187 -2.1657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5781 1402SOL HW2 5779 0.718 3.367 3.436 -0.0795 1.0637 1.2632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5782 1403SOL OW 5780 1.792 2.158 2.355 -0.0581 -0.1476 0.5027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5783 1403SOL HW1 5781 1.798 2.155 2.255 -1.5238 0.5083 0.3613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5784 1403SOL HW2 5782 1.715 2.102 2.386 0.1680 -0.0677 1.2331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5785 1404SOL OW 5783 1.502 3.485 2.394 -0.3827 -0.1499 0.5928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5786 1404SOL HW1 5784 1.519 3.534 2.308 -0.1194 -1.0204 0.1427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5787 1404SOL HW2 5785 1.422 3.524 2.439 0.0243 0.9287 0.4188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5788 1405SOL OW 5786 0.126 3.741 3.789 0.4444 -0.0235 0.1640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5789 1405SOL HW1 5787 0.077 3.679 3.849 -0.0785 0.6560 0.4484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5790 1405SOL HW2 5788 0.225 3.730 3.802 0.4089 -1.6471 -0.6691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5791 1406SOL OW 5789 1.233 2.753 2.356 -0.2504 -0.2709 0.0509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5792 1406SOL HW1 5790 1.331 2.768 2.352 -0.3075 0.0032 -0.3793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5793 1406SOL HW2 5791 1.191 2.782 2.270 -0.7585 0.0138 0.3858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5794 1407SOL OW 5792 0.812 2.956 3.261 -1.1848 -0.0557 -0.2243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5795 1407SOL HW1 5793 0.794 2.938 3.357 -0.3930 -0.3490 -0.1201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5796 1407SOL HW2 5794 0.728 2.982 3.215 -2.0093 -2.0269 0.0811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5797 1408SOL OW 5795 0.838 3.410 2.139 -0.3520 0.1359 -0.3041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5798 1408SOL HW1 5796 0.872 3.332 2.086 2.2091 1.3986 -0.6564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5799 1408SOL HW2 5797 0.802 3.479 2.076 -0.3733 0.2598 -0.1546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5800 1409SOL OW 5798 1.586 3.549 3.213 -0.1406 0.2995 -0.1044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5801 1409SOL HW1 5799 1.653 3.602 3.162 -0.3528 1.3519 0.6744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5802 1409SOL HW2 5800 1.527 3.611 3.265 0.8253 -0.7231 2.3799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5803 1410SOL OW 5801 1.803 2.141 2.763 -0.8269 0.1559 0.0485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5804 1410SOL HW1 5802 1.849 2.213 2.815 1.6791 -0.6091 -0.9900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5805 1410SOL HW2 5803 1.711 2.171 2.738 0.0227 2.8393 -0.0776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5806 1411SOL OW 5804 0.072 2.084 2.546 -0.0597 -0.2975 0.4155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5807 1411SOL HW1 5805 0.092 2.175 2.510 -0.2751 -0.1895 0.5710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5808 1411SOL HW2 5806 0.005 2.091 2.620 -2.0956 -0.8221 -1.2823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5809 1412SOL OW 5807 1.221 3.407 1.922 0.6485 0.0220 -0.0412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5810 1412SOL HW1 5808 1.227 3.328 1.983 -1.3316 0.5559 0.9263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5811 1412SOL HW2 5809 1.158 3.386 1.847 -0.5738 0.9566 0.7055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5812 1413SOL OW 5810 1.086 2.659 3.139 0.3684 0.0048 -0.1028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5813 1413SOL HW1 5811 1.133 2.748 3.133 -0.3035 0.4874 1.3631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5814 1413SOL HW2 5812 1.019 2.662 3.213 -1.3784 -0.9448 -1.5568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5815 1414SOL OW 5813 1.095 2.754 2.096 -0.1819 0.1333 -0.6140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5816 1414SOL HW1 5814 1.145 2.818 2.037 1.8660 -1.3030 -0.5262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5817 1414SOL HW2 5815 1.079 2.668 2.047 -1.2523 0.0085 -0.0907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5818 1415SOL OW 5816 1.490 3.452 1.866 -0.0378 -0.3798 0.6634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5819 1415SOL HW1 5817 1.390 3.452 1.866 -0.0406 -1.0504 0.3749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5820 1415SOL HW2 5818 1.524 3.395 1.791 0.5619 -0.8271 1.2634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5821 1416SOL OW 5819 0.421 3.527 3.455 -0.5852 -0.2546 -0.0630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5822 1416SOL HW1 5820 0.499 3.466 3.450 -0.4456 -0.5942 3.7534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5823 1416SOL HW2 5821 0.338 3.479 3.426 0.1460 -0.8088 -1.2859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5824 1417SOL OW 5822 1.659 3.149 3.115 -0.4749 0.4406 -0.1614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5825 1417SOL HW1 5823 1.757 3.149 3.133 0.2094 0.5933 -3.3181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5826 1417SOL HW2 5824 1.610 3.188 3.194 1.9970 0.6952 1.3293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5827 1418SOL OW 5825 1.344 2.955 2.546 -0.1645 0.6514 -0.7469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5828 1418SOL HW1 5826 1.409 2.895 2.593 1.6315 1.5496 -1.9831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5829 1418SOL HW2 5827 1.295 2.902 2.476 -0.3275 0.1138 -0.2379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5830 1419SOL OW 5828 1.069 2.012 2.915 -0.3122 0.0999 0.4209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5831 1419SOL HW1 5829 1.039 2.010 2.819 0.7730 -1.6525 0.0485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5832 1419SOL HW2 5830 1.107 1.922 2.939 3.9175 1.7851 0.9814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5833 1420SOL OW 5831 0.590 3.407 2.273 0.1261 -0.6292 0.0594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5834 1420SOL HW1 5832 0.677 3.412 2.224 1.3810 -1.3631 2.0974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5835 1420SOL HW2 5833 0.536 3.331 2.236 0.0189 0.2361 -1.6559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5836 1421SOL OW 5834 0.424 3.217 2.175 0.3378 -0.0648 -0.0077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5837 1421SOL HW1 5835 0.429 3.194 2.078 -0.5334 0.2340 -0.1282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5838 1421SOL HW2 5836 0.362 3.154 2.222 -1.7094 1.6650 -0.2565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5839 1422SOL OW 5837 0.259 2.825 3.549 0.2136 0.6918 -0.5481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5840 1422SOL HW1 5838 0.171 2.862 3.579 -1.0913 -1.6816 -1.1908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5841 1422SOL HW2 5839 0.333 2.875 3.594 -1.4561 2.2754 0.5955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5842 1423SOL OW 5840 0.703 1.983 3.343 -0.3796 -0.2724 0.1628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5843 1423SOL HW1 5841 0.777 1.941 3.290 0.4701 -1.0262 1.8547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5844 1423SOL HW2 5842 0.740 2.061 3.394 -0.6759 -0.8131 1.2270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5845 1424SOL OW 5843 7.168 2.266 1.827 0.1654 0.4650 -0.0677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5846 1424SOL HW1 5844 7.094 2.331 1.812 0.4875 0.5221 -1.5113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5847 1424SOL HW2 5845 7.176 2.247 1.925 -1.7649 0.4362 0.1249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5848 1425SOL OW 5846 1.457 2.702 3.242 -0.0611 0.0324 0.9796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5849 1425SOL HW1 5847 1.526 2.751 3.189 -2.5791 2.6789 -0.1242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5850 1425SOL HW2 5848 1.448 2.609 3.206 1.8596 0.1067 0.1934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5851 1426SOL OW 5849 0.069 1.956 2.015 0.4217 -0.8430 -0.3947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5852 1426SOL HW1 5850 0.062 1.963 1.915 -0.4821 0.1376 -0.2708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5853 1426SOL HW2 5851 0.166 1.954 2.041 0.6741 -2.0818 -1.3438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5854 1427SOL OW 5852 1.206 3.116 1.996 -0.6603 0.1413 -0.4590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5855 1427SOL HW1 5853 1.206 3.026 1.953 0.7237 0.0991 -0.4389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5856 1427SOL HW2 5854 1.169 3.109 2.089 -0.8450 -0.3440 -0.5681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5857 1428SOL OW 5855 0.794 2.690 3.183 0.2275 -0.2586 0.0714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5858 1428SOL HW1 5856 0.789 2.782 3.221 1.2289 -0.0340 -0.3041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5859 1428SOL HW2 5857 0.758 2.625 3.250 -0.9674 0.4390 0.1398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5860 1429SOL OW 5858 1.489 3.623 2.825 0.4845 -0.5490 -0.0900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5861 1429SOL HW1 5859 1.543 3.708 2.820 0.1956 -0.3979 -0.7629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5862 1429SOL HW2 5860 1.548 3.548 2.857 0.9170 -0.2440 -0.1607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5863 1430SOL OW 5861 0.563 2.491 3.530 0.5308 -0.3151 0.3203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5864 1430SOL HW1 5862 0.571 2.424 3.603 0.1128 0.1102 0.7669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5865 1430SOL HW2 5863 0.634 2.475 3.462 0.8175 -0.8238 0.7309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5866 1431SOL OW 5864 1.627 3.114 3.489 -0.0649 -0.4569 -0.4913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5867 1431SOL HW1 5865 1.663 3.204 3.464 0.1543 -0.5237 -0.4188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5868 1431SOL HW2 5866 1.675 3.043 3.437 -1.9386 -0.3921 -2.4250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5869 1432SOL OW 5867 0.285 3.744 3.328 0.0308 0.0065 -0.2580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5870 1432SOL HW1 5868 0.214 3.782 3.387 -1.7489 -1.7246 -1.1503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5871 1432SOL HW2 5869 0.333 3.670 3.376 1.5627 1.4229 0.4800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5872 1433SOL OW 5870 1.632 2.830 3.065 -0.6017 -0.3224 -0.1435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5873 1433SOL HW1 5871 1.695 2.754 3.047 -0.8018 -0.5782 0.2186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5874 1433SOL HW2 5872 1.643 2.900 2.995 0.4559 -0.1234 0.2097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5875 1434SOL OW 5873 1.363 2.404 2.420 0.1015 -0.1714 -0.4283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5876 1434SOL HW1 5874 1.342 2.321 2.369 1.0959 -0.6291 -0.1146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5877 1434SOL HW2 5875 1.278 2.445 2.453 -0.3210 -2.8329 2.1805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5878 1435SOL OW 5876 0.789 2.552 2.509 0.1926 -0.4808 0.0343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5879 1435SOL HW1 5877 0.792 2.591 2.601 1.9761 3.6279 -1.5395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5880 1435SOL HW2 5878 0.703 2.577 2.465 0.2398 -0.6023 -0.1275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5881 1436SOL OW 5879 1.625 2.077 3.483 -0.3752 0.0988 -0.1688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5882 1436SOL HW1 5880 1.600 2.068 3.387 -1.9543 0.6327 0.1726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5883 1436SOL HW2 5881 1.706 2.021 3.501 0.8000 1.0645 -2.0986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5884 1437SOL OW 5882 1.742 2.930 3.330 0.4670 0.0015 0.4139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5885 1437SOL HW1 5883 1.832 2.962 3.298 0.2102 1.2174 0.8535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5886 1437SOL HW2 5884 1.688 2.901 3.251 0.5454 1.1276 -0.0714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5887 1438SOL OW 5885 0.896 3.131 1.929 -0.0221 -0.8185 -0.1073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5888 1438SOL HW1 5886 0.945 3.086 2.004 0.6760 -0.0072 -0.0580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5889 1438SOL HW2 5887 0.957 3.195 1.884 -1.3718 1.1506 0.7342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5890 1439SOL OW 5888 0.823 3.553 2.886 -0.0985 -0.0120 -0.1028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5891 1439SOL HW1 5889 0.760 3.613 2.836 0.0554 0.5281 0.3481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5892 1439SOL HW2 5890 0.888 3.513 2.822 -1.7253 -1.6738 -0.8180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5893 1440SOL OW 5891 0.814 2.670 2.741 -0.5484 -0.1069 0.2703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5894 1440SOL HW1 5892 0.868 2.624 2.812 -0.2599 -0.9864 -0.5112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5895 1440SOL HW2 5893 0.790 2.762 2.773 0.7256 0.0156 0.9686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5896 1441SOL OW 5894 1.236 2.879 1.887 0.1225 0.0635 -0.2872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5897 1441SOL HW1 5895 1.196 2.857 1.798 -0.7252 -1.9344 0.5116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5898 1441SOL HW2 5896 1.310 2.815 1.907 -2.6611 -2.6809 2.3075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5899 1442SOL OW 5897 1.890 3.454 2.691 0.3676 -0.7865 0.3136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5900 1442SOL HW1 5898 1.815 3.412 2.640 -2.8492 2.7552 1.6159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5901 1442SOL HW2 5899 1.875 3.439 2.789 1.4878 -0.1730 0.5944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5902 1443SOL OW 5900 0.391 3.219 4.035 0.1299 0.3009 0.0896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5903 1443SOL HW1 5901 0.371 3.142 3.974 1.7762 0.0019 -0.1379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5904 1443SOL HW2 5902 0.335 3.213 4.117 0.5709 -1.4360 0.3027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5905 1444SOL OW 5903 0.245 3.028 2.581 0.2652 0.5278 -0.0193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5906 1444SOL HW1 5904 0.281 3.050 2.671 -3.1382 1.6604 1.2114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5907 1444SOL HW2 5905 0.237 2.929 2.571 -1.3697 0.4345 1.8549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5908 1445SOL OW 5906 0.727 2.919 3.516 0.3245 -0.3261 -0.4007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5909 1445SOL HW1 5907 0.642 2.887 3.475 0.8115 -0.4846 -1.3087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5910 1445SOL HW2 5908 0.708 2.997 3.576 -0.3366 0.3408 -1.4427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5911 1446SOL OW 5909 1.638 2.101 3.184 -0.2603 0.2576 -0.0120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5912 1446SOL HW1 5910 1.618 2.199 3.175 0.1612 0.3810 0.3599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5913 1446SOL HW2 5911 1.642 2.059 3.094 0.9355 0.8616 -0.2468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5914 1447SOL OW 5912 0.348 2.196 2.268 0.2615 0.3987 -0.2427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5915 1447SOL HW1 5913 0.422 2.194 2.201 1.6362 2.0478 1.1282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5916 1447SOL HW2 5914 0.282 2.267 2.243 0.7986 1.0451 0.1242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5917 1448SOL OW 5915 1.819 3.441 2.983 0.4397 -0.0127 0.0300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5918 1448SOL HW1 5916 1.725 3.412 2.963 0.9255 -1.3548 -0.3990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5919 1448SOL HW2 5917 1.882 3.367 2.961 1.7874 1.4975 -1.3916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5920 1449SOL OW 5918 0.362 2.381 3.043 0.3736 0.1095 0.3385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5921 1449SOL HW1 5919 0.368 2.291 3.088 -0.9606 -0.0029 0.3327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5922 1449SOL HW2 5920 0.373 2.370 2.945 0.9689 0.0490 0.4118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5923 1450SOL OW 5921 0.717 3.385 2.532 0.2835 0.1386 -0.6825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5924 1450SOL HW1 5922 0.699 3.469 2.584 -1.9510 0.5676 -1.9905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5925 1450SOL HW2 5923 0.662 3.386 2.448 1.6868 -1.7773 -1.6977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5926 1451SOL OW 5924 1.429 2.012 2.891 0.2119 0.4905 -0.0249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5927 1451SOL HW1 5925 1.518 2.002 2.936 -0.3037 -0.3596 0.8440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5928 1451SOL HW2 5926 1.360 2.037 2.959 -0.2041 1.2582 -0.7139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5929 1452SOL OW 5927 1.201 1.770 2.953 0.1154 0.0241 0.3870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5930 1452SOL HW1 5928 1.150 1.687 2.973 -1.4172 0.8007 -0.1184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5931 1452SOL HW2 5929 1.285 1.747 2.904 -1.4636 -1.1182 -1.9931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5932 1453SOL OW 5930 1.028 3.098 2.205 1.0841 -0.0212 -0.1007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5933 1453SOL HW1 5931 0.989 3.011 2.235 -0.2828 0.7126 0.3413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5934 1453SOL HW2 5932 1.058 3.150 2.285 -0.1371 0.8247 -0.1592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5935 1454SOL OW 5933 0.673 3.267 3.151 -0.0630 -0.2169 0.5455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5936 1454SOL HW1 5934 0.664 3.322 3.234 -0.1379 -0.9370 1.0270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5937 1454SOL HW2 5935 0.767 3.271 3.118 -0.2704 0.9216 0.0536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5938 1455SOL OW 5936 1.337 1.998 2.050 -0.1221 0.3060 -0.2568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5939 1455SOL HW1 5937 1.388 1.916 2.024 0.5646 0.4184 0.6945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5940 1455SOL HW2 5938 1.245 1.972 2.078 -0.3635 0.0211 -1.2523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5941 1456SOL OW 5939 1.003 2.308 2.600 0.2923 0.4776 0.0320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5942 1456SOL HW1 5940 1.027 2.397 2.560 0.3982 0.0009 -0.9874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5943 1456SOL HW2 5941 1.051 2.297 2.687 2.0001 0.5233 -0.8651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5944 1457SOL OW 5942 1.542 2.185 2.725 0.0439 0.0132 0.5499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5945 1457SOL HW1 5943 1.491 2.103 2.751 -1.1453 -0.0631 -1.7029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5946 1457SOL HW2 5944 1.491 2.266 2.755 -1.7458 -0.0559 -1.9191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5947 1458SOL OW 5945 0.168 2.755 2.082 -0.3051 -0.2935 -0.3594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5948 1458SOL HW1 5946 0.251 2.796 2.046 -0.7790 1.2645 0.2276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5949 1458SOL HW2 5947 0.185 2.718 2.174 -0.4972 1.0204 0.2261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5950 1459SOL OW 5948 0.981 3.522 2.341 0.4270 0.2128 -0.1286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5951 1459SOL HW1 5949 0.918 3.484 2.274 -1.9416 -0.9139 2.5512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5952 1459SOL HW2 5950 0.930 3.561 2.417 2.9726 1.8014 0.9120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5953 1460SOL OW 5951 0.400 2.617 3.935 -0.3950 0.0299 -0.3379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5954 1460SOL HW1 5952 0.419 2.623 3.837 0.7115 -1.6756 -0.2832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5955 1460SOL HW2 5953 0.480 2.647 3.987 -0.1237 -1.1731 -0.0136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5956 1461SOL OW 5954 0.046 2.052 4.473 -0.0227 -0.1968 -0.4084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5957 1461SOL HW1 5955 -0.048 2.056 4.507 0.5281 -1.2578 1.3832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5958 1461SOL HW2 5956 0.081 1.958 4.483 1.3114 0.2361 -0.7642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5959 1462SOL OW 5957 6.994 2.128 4.204 0.4078 0.8961 -0.0126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5960 1462SOL HW1 5958 6.993 2.038 4.247 -0.3084 1.1296 0.4691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5961 1462SOL HW2 5959 7.060 2.187 4.251 1.3603 0.4415 -0.7375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5962 1463SOL OW 5960 0.453 3.191 5.077 -0.2910 -0.5373 -0.0969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5963 1463SOL HW1 5961 0.412 3.161 4.991 -1.5727 0.0238 0.2929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5964 1463SOL HW2 5962 0.496 3.281 5.064 -0.5955 -0.3941 -0.1250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5965 1464SOL OW 5963 1.508 3.601 4.443 0.3171 0.0536 0.2562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5966 1464SOL HW1 5964 1.520 3.678 4.505 -0.1844 2.2545 -2.1684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5967 1464SOL HW2 5965 1.411 3.584 4.428 0.4253 -0.9166 0.5887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5968 1465SOL OW 5966 1.036 2.652 4.273 -0.1053 0.0466 0.5316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5969 1465SOL HW1 5967 1.045 2.750 4.292 0.0093 0.1719 -0.1581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5970 1465SOL HW2 5968 0.977 2.610 4.342 -0.0692 0.5808 0.8910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5971 1466SOL OW 5969 1.469 2.524 3.850 -0.5165 0.5171 -0.0277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5972 1466SOL HW1 5970 1.562 2.544 3.819 0.5534 0.3771 2.8251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5973 1466SOL HW2 5971 1.444 2.431 3.825 0.6933 0.0580 0.4450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5974 1467SOL OW 5972 0.691 2.864 4.790 0.0009 -0.0712 0.3237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5975 1467SOL HW1 5973 0.773 2.915 4.765 -0.2626 0.6452 0.8808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5976 1467SOL HW2 5974 0.612 2.903 4.743 -0.5628 1.5197 2.3865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5977 1468SOL OW 5975 1.108 2.629 5.369 -0.2214 -0.0928 0.0049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5978 1468SOL HW1 5976 1.183 2.695 5.363 -0.4563 0.1256 -0.5759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5979 1468SOL HW2 5977 1.057 2.643 5.454 1.5439 -1.4834 1.3888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5980 1469SOL OW 5978 0.564 2.691 4.332 0.0984 -0.0252 -0.3767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5981 1469SOL HW1 5979 0.655 2.722 4.361 0.4826 -2.4615 1.2985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5982 1469SOL HW2 5980 0.498 2.713 4.403 -0.1168 -0.5672 -0.4062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5983 1470SOL OW 5981 0.792 2.960 5.599 -0.3807 -0.2418 0.0934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5984 1470SOL HW1 5982 0.742 2.922 5.677 -1.8635 -1.6337 -1.4619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5985 1470SOL HW2 5983 0.730 3.015 5.543 0.2270 -0.6818 -1.0311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5986 1471SOL OW 5984 0.368 3.139 4.806 0.4290 -0.3459 -0.0503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5987 1471SOL HW1 5985 0.273 3.109 4.818 -1.3118 3.0632 -3.4155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5988 1471SOL HW2 5986 0.406 3.094 4.725 0.8932 0.0013 -0.0225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5989 1472SOL OW 5987 1.490 3.338 4.826 0.1248 0.1558 -0.3370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5990 1472SOL HW1 5988 1.482 3.437 4.827 0.3254 0.1799 1.0831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5991 1472SOL HW2 5989 1.403 3.297 4.852 0.8810 0.0894 2.4139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5992 1473SOL OW 5990 0.606 2.086 5.238 0.0006 -0.1745 0.2024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5993 1473SOL HW1 5991 0.689 2.037 5.262 2.3371 1.1926 -3.9611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5994 1473SOL HW2 5992 0.575 2.056 5.147 -2.4081 1.3768 0.4219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5995 1474SOL OW 5993 1.568 2.473 4.414 -0.7259 0.2279 -0.4630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5996 1474SOL HW1 5994 1.517 2.518 4.487 -0.8251 0.4709 -0.6786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5997 1474SOL HW2 5995 1.504 2.434 4.348 -0.6777 -1.5206 0.4718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5998 1475SOL OW 5996 0.325 3.485 4.443 0.0157 0.2808 -0.2124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
5999 1475SOL HW1 5997 0.395 3.493 4.515 -0.8563 -0.5441 0.7538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6000 1475SOL HW2 5998 0.360 3.526 4.359 1.8429 -0.4747 0.1238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6001 1476SOL OW 5999 1.096 3.172 5.251 0.2133 0.1247 -0.4550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6002 1476SOL HW1 6000 1.185 3.158 5.207 -0.4053 -0.9230 -1.4307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6003 1476SOL HW2 6001 1.083 3.103 5.322 0.2966 0.4633 -0.1080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6004 1477SOL OW 6002 0.189 3.261 4.469 0.4578 0.1234 0.4230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6005 1477SOL HW1 6003 0.243 3.345 4.466 -0.2281 0.5809 0.7831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6006 1477SOL HW2 6004 0.120 3.268 4.540 -0.4969 -0.1984 -0.4480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6007 1478SOL OW 6005 0.085 2.802 4.768 0.1371 0.0859 0.1897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6008 1478SOL HW1 6006 0.132 2.805 4.680 -0.5688 -0.4305 -0.2136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6009 1478SOL HW2 6007 0.151 2.788 4.841 0.4798 -2.4123 -0.5164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6010 1479SOL OW 6008 0.600 3.690 5.250 -0.2253 0.4355 -0.0400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6011 1479SOL HW1 6009 0.626 3.724 5.341 0.9697 1.5039 -0.7416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6012 1479SOL HW2 6010 0.640 3.749 5.180 -0.7579 -0.6267 -1.2783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6013 1480SOL OW 6011 0.636 2.959 4.043 -0.0337 0.4950 -0.0536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6014 1480SOL HW1 6012 0.570 3.033 4.054 -1.4977 -0.7531 -0.0235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6015 1480SOL HW2 6013 0.728 2.992 4.065 -0.7467 2.0792 0.6834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6016 1481SOL OW 6014 1.504 1.938 4.984 0.0845 0.2365 0.0314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6017 1481SOL HW1 6015 1.477 1.900 4.895 0.1338 0.3829 -0.0467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6018 1481SOL HW2 6016 1.422 1.957 5.038 0.1128 -1.6910 0.7950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6019 1482SOL OW 6017 0.286 2.888 4.156 0.2835 -0.3758 0.2649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6020 1482SOL HW1 6018 0.344 2.807 4.142 0.3157 -0.3239 0.0960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6021 1482SOL HW2 6019 0.291 2.916 4.252 -0.9522 -1.5186 0.6999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6022 1483SOL OW 6020 0.293 3.465 3.937 -0.2744 -1.1906 -0.2811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6023 1483SOL HW1 6021 0.330 3.377 3.966 -0.9876 -1.5575 -0.4814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6024 1483SOL HW2 6022 0.305 3.532 4.011 -0.1670 -1.5719 0.0524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6025 1484SOL OW 6023 1.571 2.864 4.335 -0.3404 0.2395 -0.2434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6026 1484SOL HW1 6024 1.635 2.817 4.273 0.7717 -0.0957 1.1210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6027 1484SOL HW2 6025 1.523 2.935 4.284 -0.9324 -1.3180 -1.9822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6028 1485SOL OW 6026 1.481 3.085 4.230 -0.7181 0.2400 -0.0087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6029 1485SOL HW1 6027 1.545 3.093 4.153 -0.2161 -2.3426 0.0672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6030 1485SOL HW2 6028 1.526 3.116 4.313 1.0695 -2.7660 0.2892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6031 1486SOL OW 6029 0.076 2.609 5.131 -0.3226 0.0624 0.3927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6032 1486SOL HW1 6030 0.053 2.661 5.213 -1.5461 1.0434 -0.5436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6033 1486SOL HW2 6031 0.174 2.617 5.113 -0.5440 2.5804 -0.0297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6034 1487SOL OW 6032 0.509 2.991 4.620 0.3806 0.0873 0.2485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6035 1487SOL HW1 6033 0.454 2.908 4.611 -0.9825 0.9328 0.4539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6036 1487SOL HW2 6034 0.511 3.040 4.533 0.0152 0.5298 0.4828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6037 1488SOL OW 6035 1.293 3.062 5.118 0.6665 -0.6693 -0.2594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6038 1488SOL HW1 6036 1.291 2.965 5.091 1.9784 -0.5274 -0.9857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6039 1488SOL HW2 6037 1.349 3.072 5.200 -0.0019 -0.5990 0.1913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6040 1489SOL OW 6038 0.725 1.956 4.260 -0.4091 -0.4916 0.1974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6041 1489SOL HW1 6039 0.781 2.019 4.207 -1.1171 1.2145 1.3996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6042 1489SOL HW2 6040 0.628 1.973 4.240 -0.6106 -1.2025 0.5332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6043 1490SOL OW 6041 0.320 2.755 4.941 0.1144 -0.6138 0.1018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6044 1490SOL HW1 6042 0.329 2.656 4.950 -0.8723 -0.6568 0.7884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6045 1490SOL HW2 6043 0.360 2.800 5.020 -1.9796 -0.6304 1.2396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6046 1491SOL OW 6044 1.298 3.007 3.928 -0.2089 0.0712 0.1870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6047 1491SOL HW1 6045 1.316 2.910 3.943 0.7930 0.2669 0.3000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6048 1491SOL HW2 6046 1.346 3.062 3.997 -0.7777 0.6493 0.1373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6049 1492SOL OW 6047 1.236 3.559 5.267 0.0016 0.3694 0.1415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6050 1492SOL HW1 6048 1.315 3.528 5.213 -0.2421 0.0741 -0.0455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6051 1492SOL HW2 6049 1.213 3.489 5.334 0.3866 0.7898 0.7276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6052 1493SOL OW 6050 0.264 2.143 5.650 -0.3042 -0.2348 0.0352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6053 1493SOL HW1 6051 0.243 2.060 5.701 -0.8666 2.2382 4.2711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6054 1493SOL HW2 6052 0.180 2.195 5.633 -0.1807 -0.9883 -3.8826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6055 1494SOL OW 6053 1.562 3.225 4.462 -0.1891 -0.3488 0.2067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6056 1494SOL HW1 6054 1.464 3.248 4.461 -0.2933 -0.6996 1.1084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6057 1494SOL HW2 6055 1.588 3.196 4.554 0.9317 0.4292 0.1537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6058 1495SOL OW 6056 1.662 3.563 4.175 -0.4957 0.1049 -0.2398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6059 1495SOL HW1 6057 1.623 3.490 4.119 1.1187 -1.4312 0.5180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6060 1495SOL HW2 6058 1.633 3.551 4.270 1.4040 -0.8703 0.2756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6061 1496SOL OW 6059 0.613 2.690 4.073 0.8160 -0.4709 0.3821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6062 1496SOL HW1 6060 0.606 2.785 4.044 0.7226 -0.7866 -0.6806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6063 1496SOL HW2 6061 0.599 2.684 4.172 -0.3661 0.4853 0.2982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6064 1497SOL OW 6062 1.244 2.420 4.557 0.3044 -0.1060 0.0781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6065 1497SOL HW1 6063 1.247 2.320 4.565 -0.0882 -0.0237 1.4977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6066 1497SOL HW2 6064 1.164 2.455 4.605 1.3086 1.0051 0.9919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6067 1498SOL OW 6065 1.577 3.333 3.934 -0.2298 0.2794 0.1601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6068 1498SOL HW1 6066 1.489 3.344 3.981 -1.3044 1.1944 -1.9340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6069 1498SOL HW2 6067 1.595 3.236 3.920 -1.5097 0.1102 -0.4365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6070 1499SOL OW 6068 0.901 2.444 5.096 -0.4429 0.2302 -0.3698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6071 1499SOL HW1 6069 0.914 2.400 5.185 -1.4347 -0.9262 -0.7732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6072 1499SOL HW2 6070 0.876 2.375 5.028 2.9897 0.5949 -2.2249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6073 1500SOL OW 6071 1.432 2.507 5.296 -0.0211 0.1328 0.2199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6074 1500SOL HW1 6072 1.354 2.474 5.349 -0.4458 -0.3636 -0.6985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6075 1500SOL HW2 6073 1.516 2.467 5.333 -0.1347 0.9908 1.4750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6076 1501SOL OW 6074 0.851 2.770 5.272 -0.4509 0.2366 0.1961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6077 1501SOL HW1 6075 0.888 2.677 5.276 -3.2034 -0.9020 2.3518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6078 1501SOL HW2 6076 0.804 2.783 5.184 0.8637 0.0295 -0.5647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6079 1502SOL OW 6077 0.996 2.221 4.803 0.2337 -0.1163 0.1196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6080 1502SOL HW1 6078 0.907 2.234 4.846 -0.6577 -1.4620 -1.2013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6081 1502SOL HW2 6079 1.011 2.123 4.787 1.2221 0.2187 -1.1576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6082 1503SOL OW 6080 1.093 2.539 4.026 -0.3834 -0.3624 -0.2644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6083 1503SOL HW1 6081 1.050 2.600 4.092 1.4722 1.5812 -0.7367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6084 1503SOL HW2 6082 1.069 2.566 3.933 1.0897 0.2403 -0.5078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6085 1504SOL OW 6083 0.005 2.949 4.427 -0.5228 0.3314 0.2920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6086 1504SOL HW1 6084 0.067 2.878 4.458 0.2962 -0.0150 -1.9769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6087 1504SOL HW2 6085 -0.043 2.988 4.506 0.0569 -1.7184 1.7322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6088 1505SOL OW 6086 0.014 3.773 5.428 -0.3809 0.8577 -0.2243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6089 1505SOL HW1 6087 0.070 3.821 5.495 0.1727 0.8798 -0.6920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6090 1505SOL HW2 6088 0.014 3.675 5.448 -0.4398 0.8962 -0.0347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6091 1506SOL OW 6089 0.848 2.270 3.920 0.4028 -0.2637 0.2199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6092 1506SOL HW1 6090 0.874 2.300 3.829 -0.0755 1.3479 0.5735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6093 1506SOL HW2 6091 0.840 2.170 3.922 1.3154 -0.3923 -1.2404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6094 1507SOL OW 6092 1.830 2.558 5.514 0.4982 0.6742 -0.2561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6095 1507SOL HW1 6093 1.806 2.649 5.482 1.7552 0.8204 -0.8588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6096 1507SOL HW2 6094 1.769 2.490 5.473 -1.7243 1.3482 1.6914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6097 1508SOL OW 6095 1.209 3.115 4.178 -0.0342 -0.1534 0.5561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6098 1508SOL HW1 6096 1.303 3.108 4.210 0.3766 -0.0387 -0.5968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6099 1508SOL HW2 6097 1.188 3.210 4.156 0.5065 -0.5302 -1.8328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6100 1509SOL OW 6098 0.643 2.023 4.504 -0.1540 -0.1893 0.9494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6101 1509SOL HW1 6099 0.556 2.062 4.472 -0.1235 -0.5790 0.3791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6102 1509SOL HW2 6100 0.688 1.977 4.428 0.0426 -0.9253 1.5062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6103 1510SOL OW 6101 0.983 3.583 4.273 0.1789 0.7803 0.5492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6104 1510SOL HW1 6102 0.985 3.646 4.195 0.5802 1.4384 1.0778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6105 1510SOL HW2 6103 0.888 3.563 4.298 0.0427 1.2936 0.4589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6106 1511SOL OW 6104 0.371 3.686 4.658 0.6584 -0.1905 -0.0991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6107 1511SOL HW1 6105 0.397 3.601 4.704 0.3004 -0.4947 -0.4621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6108 1511SOL HW2 6106 0.424 3.762 4.698 0.2601 -0.4242 0.9193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6109 1512SOL OW 6107 1.670 2.744 4.555 -0.4447 0.6398 0.8006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6110 1512SOL HW1 6108 1.640 2.794 4.474 -0.8524 0.0478 0.5762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6111 1512SOL HW2 6109 1.590 2.701 4.598 -0.1796 0.6531 1.3114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6112 1513SOL OW 6110 1.236 3.223 4.919 0.3454 0.4878 -0.2712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6113 1513SOL HW1 6111 1.241 3.165 5.000 -0.3782 -1.1242 -1.3215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6114 1513SOL HW2 6112 1.169 3.296 4.934 0.3054 0.2811 0.6147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6115 1514SOL OW 6113 0.280 3.014 3.876 0.0744 -0.0686 -0.5203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6116 1514SOL HW1 6114 0.341 2.965 3.813 0.3425 0.0264 -0.3367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6117 1514SOL HW2 6115 0.236 2.947 3.936 1.1009 -0.0256 0.3085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6118 1515SOL OW 6116 1.325 2.854 4.547 -0.0472 0.1317 0.0845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6119 1515SOL HW1 6117 1.341 2.764 4.589 1.7211 0.0960 -0.5435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6120 1515SOL HW2 6118 1.385 2.863 4.467 -1.6604 1.0937 -1.0681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6121 1516SOL OW 6119 0.486 2.928 5.686 -0.2815 -0.1903 0.4578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6122 1516SOL HW1 6120 0.410 2.882 5.640 -1.4986 1.6071 0.5937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6123 1516SOL HW2 6121 0.494 2.894 5.779 -2.1559 0.8870 1.0617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6124 1517SOL OW 6122 1.032 3.521 3.896 0.3986 0.7477 0.4659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6125 1517SOL HW1 6123 0.954 3.563 3.943 -0.7421 -1.1401 0.3599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6126 1517SOL HW2 6124 1.012 3.514 3.798 0.0587 -0.9911 0.6279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6127 1518SOL OW 6125 0.114 1.998 5.381 0.1346 -0.4596 -0.1614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6128 1518SOL HW1 6126 0.146 2.085 5.344 -0.3028 -1.7845 -4.1119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6129 1518SOL HW2 6127 0.014 1.997 5.382 0.1221 -1.2001 -1.0326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6130 1519SOL OW 6128 1.611 3.053 3.932 -0.3330 -0.6021 -0.2566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6131 1519SOL HW1 6129 1.526 3.006 3.907 -1.4140 0.8759 0.4180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6132 1519SOL HW2 6130 1.681 3.034 3.864 -1.3710 -1.4389 -1.1382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6133 1520SOL OW 6131 0.413 3.602 4.212 -0.1665 -0.3799 -0.1517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6134 1520SOL HW1 6132 0.474 3.681 4.214 -0.5152 -0.1170 0.0498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6135 1520SOL HW2 6133 0.467 3.519 4.193 0.3420 -0.2368 0.6047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6136 1521SOL OW 6134 1.387 1.974 4.213 -0.1516 -0.1411 -0.0923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6137 1521SOL HW1 6135 1.376 1.970 4.114 -0.5105 -2.3083 -0.0022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6138 1521SOL HW2 6136 1.464 1.917 4.241 -0.4298 -0.0483 0.9362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6139 1522SOL OW 6137 0.200 3.576 4.929 0.2604 0.5200 -0.2185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6140 1522SOL HW1 6138 0.257 3.498 4.904 0.6579 0.6838 0.1550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6141 1522SOL HW2 6139 0.169 3.623 4.846 -1.2963 -0.9427 -0.5132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6142 1523SOL OW 6140 0.906 3.516 4.546 0.1758 0.1184 -0.2418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6143 1523SOL HW1 6141 0.949 3.533 4.457 0.5000 0.7494 0.0274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6144 1523SOL HW2 6142 0.857 3.429 4.544 1.3750 -0.5664 -0.6010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6145 1524SOL OW 6143 0.232 2.543 4.143 0.4604 0.0357 -0.2358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6146 1524SOL HW1 6144 0.253 2.446 4.159 -1.4318 -0.7194 -1.8698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6147 1524SOL HW2 6145 0.284 2.577 4.065 -0.6276 -0.4203 -1.1980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6148 1525SOL OW 6146 1.653 2.166 5.510 0.6803 -0.3553 -0.0416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6149 1525SOL HW1 6147 1.624 2.191 5.603 1.3179 -0.3670 0.1644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6150 1525SOL HW2 6148 1.636 2.068 5.496 1.3320 -0.5267 0.3500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6151 1526SOL OW 6149 0.785 2.023 3.847 0.2471 0.0819 -0.2931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6152 1526SOL HW1 6150 0.706 2.025 3.785 0.8429 1.4537 -1.0662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6153 1526SOL HW2 6151 0.857 1.967 3.808 -0.2052 -0.9011 0.2560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6154 1527SOL OW 6152 0.903 1.932 5.581 -0.0696 0.0305 -0.1795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6155 1527SOL HW1 6153 0.982 1.871 5.592 0.5905 0.8809 -0.0839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6156 1527SOL HW2 6154 0.822 1.889 5.620 0.4845 -0.5842 0.3174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6157 1528SOL OW 6155 0.790 3.299 4.909 -0.4559 0.0245 -0.0948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6158 1528SOL HW1 6156 0.756 3.292 4.815 3.2574 -0.3438 -1.5705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6159 1528SOL HW2 6157 0.823 3.210 4.939 -0.7185 0.3482 1.1910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6160 1529SOL OW 6158 1.365 2.405 5.063 0.2619 0.3079 0.0479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6161 1529SOL HW1 6159 1.381 2.476 5.131 -0.0219 0.6513 -0.2415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6162 1529SOL HW2 6160 1.451 2.359 5.042 0.7217 1.5138 -0.8115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6163 1530SOL OW 6161 0.656 3.225 4.697 0.6493 -0.2007 0.1282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6164 1530SOL HW1 6162 0.721 3.212 4.622 1.3499 0.5752 0.5806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6165 1530SOL HW2 6163 0.573 3.173 4.678 0.4988 0.5649 -1.5584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6166 1531SOL OW 6164 0.774 2.289 4.411 -0.5560 0.4002 0.1806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6167 1531SOL HW1 6165 0.677 2.291 4.387 -0.7469 -1.7080 0.6004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6168 1531SOL HW2 6166 0.822 2.225 4.351 0.3647 0.6001 0.6895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6169 1532SOL OW 6167 0.467 1.978 4.223 -0.2213 0.3730 -0.3702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6170 1532SOL HW1 6168 0.389 2.034 4.251 0.0101 -0.4904 2.3481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6171 1532SOL HW2 6169 0.433 1.891 4.186 -0.6046 -0.1970 1.2480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6172 1533SOL OW 6170 1.490 2.847 3.695 0.0837 -0.3838 0.7303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6173 1533SOL HW1 6171 1.440 2.790 3.760 1.5321 -1.4845 0.9408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6174 1533SOL HW2 6172 1.428 2.880 3.624 -1.1164 -0.8542 1.5372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6175 1534SOL OW 6173 0.207 1.918 3.996 0.2003 0.4144 -0.2906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6176 1534SOL HW1 6174 0.193 1.886 3.902 0.8704 -0.5499 -0.0844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6177 1534SOL HW2 6175 0.253 1.846 4.048 -0.7259 0.6897 0.9483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6178 1535SOL OW 6176 0.920 2.182 4.203 -0.0674 -0.3535 -0.0967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6179 1535SOL HW1 6177 0.932 2.239 4.122 1.9425 -0.3533 0.1583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6180 1535SOL HW2 6178 1.008 2.142 4.230 -0.7184 -0.5430 1.9335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6181 1536SOL OW 6179 1.145 2.556 5.037 0.0587 0.3895 0.4358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6182 1536SOL HW1 6180 1.055 2.520 5.064 -0.0912 0.8182 0.5164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6183 1536SOL HW2 6181 1.215 2.489 5.058 -0.2931 -0.1350 -0.0431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6184 1537SOL OW 6182 1.216 3.588 4.421 0.4938 0.2560 0.8988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6185 1537SOL HW1 6183 1.197 3.681 4.453 1.6401 0.3053 1.4939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6186 1537SOL HW2 6184 1.140 3.556 4.365 0.6670 2.0493 -0.4465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6187 1538SOL OW 6185 0.420 2.707 4.571 -0.3955 0.0062 -0.1165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6188 1538SOL HW1 6186 0.422 2.612 4.603 -0.7117 -0.5584 -1.6885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6189 1538SOL HW2 6187 0.328 2.729 4.539 0.3387 -0.1297 -2.4750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6190 1539SOL OW 6188 1.119 3.822 4.473 0.7120 0.2725 0.1208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6191 1539SOL HW1 6189 1.128 3.869 4.385 3.5355 -0.0025 0.1714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6192 1539SOL HW2 6190 1.045 3.865 4.526 0.8229 2.3158 -1.2500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6193 1540SOL OW 6191 1.126 2.117 3.723 -0.2062 0.3176 -0.0688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6194 1540SOL HW1 6192 1.064 2.184 3.683 -0.4358 0.7575 0.9830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6195 1540SOL HW2 6193 1.173 2.158 3.802 0.1156 -0.5644 0.2147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6196 1541SOL OW 6194 7.245 2.505 4.899 -0.2696 0.0124 0.1312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6197 1541SOL HW1 6195 7.309 2.428 4.892 -1.8411 -1.2947 -0.5234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6198 1541SOL HW2 6196 7.270 2.561 4.977 0.9985 -1.0949 0.5691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6199 1542SOL OW 6197 0.549 2.106 4.973 0.5519 0.5096 0.5563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6200 1542SOL HW1 6198 0.575 2.034 4.908 0.6600 0.3437 0.7786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6201 1542SOL HW2 6199 0.450 2.118 4.973 0.6577 1.5556 -0.7295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6202 1543SOL OW 6200 0.489 2.446 4.385 0.3977 -0.5567 -0.1840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6203 1543SOL HW1 6201 0.520 2.539 4.365 2.5306 -1.3003 -0.5003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6204 1543SOL HW2 6202 0.426 2.416 4.313 -0.3443 0.6132 -0.0641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6205 1544SOL OW 6203 0.977 2.052 4.523 0.7424 0.0550 0.2565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6206 1544SOL HW1 6204 0.918 2.112 4.577 0.6003 0.6561 -0.5309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6207 1544SOL HW2 6205 0.931 1.966 4.505 -0.2113 0.7668 -0.9129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6208 1545SOL OW 6206 1.366 3.002 4.799 0.1514 0.1481 0.3073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6209 1545SOL HW1 6207 1.331 3.082 4.847 -0.1284 -0.4064 1.0558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6210 1545SOL HW2 6208 1.305 2.979 4.723 0.1016 0.5008 0.2414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6211 1546SOL OW 6209 1.414 2.626 4.645 0.7047 -0.2136 0.5086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6212 1546SOL HW1 6210 1.348 2.556 4.619 0.7389 -0.7771 1.8457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6213 1546SOL HW2 6211 1.459 2.600 4.731 1.3664 1.0200 0.5716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6214 1547SOL OW 6212 1.718 2.632 4.228 -1.0410 0.0906 0.4810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6215 1547SOL HW1 6213 1.737 2.585 4.313 0.9072 0.1304 0.0963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6216 1547SOL HW2 6214 1.622 2.619 4.204 -0.9690 -2.2061 1.2574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6217 1548SOL OW 6215 0.561 3.374 4.145 0.2857 -0.2929 0.1487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6218 1548SOL HW1 6216 0.520 3.294 4.102 0.4436 -0.7848 0.8806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6219 1548SOL HW2 6217 0.631 3.344 4.210 -0.5889 0.3520 1.4501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6220 1549SOL OW 6218 1.767 3.323 4.258 0.1949 -0.3528 -0.1746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6221 1549SOL HW1 6219 1.792 3.414 4.292 1.4950 -0.3141 -1.1192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6222 1549SOL HW2 6220 1.727 3.269 4.332 0.1182 0.7240 0.5956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6223 1550SOL OW 6221 1.374 2.289 3.741 -0.1018 -0.1765 -0.4826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6224 1550SOL HW1 6222 1.298 2.302 3.805 1.1136 -0.0899 1.0130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6225 1550SOL HW2 6223 1.444 2.230 3.783 0.4060 -0.7277 -2.0404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6226 1551SOL OW 6224 0.600 2.246 4.117 -0.1471 -0.1037 -0.3518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6227 1551SOL HW1 6225 0.655 2.191 4.053 -0.2960 -1.5566 0.7132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6228 1551SOL HW2 6226 0.651 2.328 4.143 1.0094 -0.7895 -0.3569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6229 1552SOL OW 6227 1.715 3.136 5.328 0.4079 0.0920 0.3282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6230 1552SOL HW1 6228 1.697 3.038 5.317 -0.7106 0.4008 -0.7945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6231 1552SOL HW2 6229 1.791 3.163 5.270 -0.3231 0.1804 -0.6076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6232 1553SOL OW 6230 0.891 3.060 5.029 -0.4345 -0.5871 -0.0088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6233 1553SOL HW1 6231 0.806 3.052 5.081 -1.5210 -0.1364 -1.6503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6234 1553SOL HW2 6232 0.964 3.091 5.090 -0.9601 -2.7237 1.8474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6235 1554SOL OW 6233 1.562 3.547 5.339 -0.3436 0.3296 0.3546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6236 1554SOL HW1 6234 1.547 3.546 5.240 2.2600 -0.6730 -0.1269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6237 1554SOL HW2 6235 1.642 3.603 5.360 -0.8099 0.4604 1.9090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6238 1555SOL OW 6236 1.092 3.189 4.670 -0.2240 0.1640 0.4287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6239 1555SOL HW1 6237 1.156 3.203 4.746 1.1656 -0.2283 -0.6273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6240 1555SOL HW2 6238 1.039 3.106 4.686 0.0443 0.0976 0.9893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6241 1556SOL OW 6239 1.616 2.915 4.830 -0.1982 0.0600 0.2502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6242 1556SOL HW1 6240 1.656 2.994 4.876 -0.4672 0.6461 -0.5160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6243 1556SOL HW2 6241 1.520 2.934 4.806 0.1391 0.0433 -1.1933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6244 1557SOL OW 6242 1.042 1.870 5.074 0.6272 -0.0229 0.3852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6245 1557SOL HW1 6243 1.038 1.886 4.975 -0.9218 1.3680 0.6276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6246 1557SOL HW2 6244 1.119 1.921 5.113 -1.2335 3.0504 0.4098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6247 1558SOL OW 6245 1.013 2.987 5.442 0.3534 0.0679 0.1133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6248 1558SOL HW1 6246 0.923 2.973 5.483 -0.5899 -0.3032 -1.9561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6249 1558SOL HW2 6247 1.035 2.909 5.383 0.4054 1.7582 -2.2217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6250 1559SOL OW 6248 0.931 2.989 4.067 -0.1279 -0.1509 0.1197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6251 1559SOL HW1 6249 1.004 3.000 4.134 -1.2739 1.9870 1.1221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6252 1559SOL HW2 6250 0.971 2.976 3.976 1.4914 0.2471 0.7376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6253 1560SOL OW 6251 0.361 2.487 4.948 -0.4719 -0.5713 0.0200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6254 1560SOL HW1 6252 0.408 2.439 5.022 -0.3250 -1.7937 -0.8319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6255 1560SOL HW2 6253 0.292 2.426 4.908 -0.9920 0.2989 -0.4258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6256 1561SOL OW 6254 1.254 2.192 4.939 -0.0760 0.2553 0.6215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6257 1561SOL HW1 6255 1.263 2.270 5.001 -0.9989 0.5888 0.3449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6258 1561SOL HW2 6256 1.172 2.203 4.883 0.1937 -0.5471 0.0520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6259 1562SOL OW 6257 0.040 3.380 5.201 -0.2995 -0.2004 0.1374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6260 1562SOL HW1 6258 0.112 3.405 5.265 -0.9598 0.6915 0.5620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6261 1562SOL HW2 6259 0.000 3.463 5.161 -2.1856 -0.5641 1.1438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6262 1563SOL OW 6260 0.299 2.984 4.406 0.0057 -0.0090 0.3799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6263 1563SOL HW1 6261 0.366 3.050 4.372 0.8248 0.8394 3.2875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6264 1563SOL HW2 6262 0.217 3.033 4.437 0.5490 -0.2631 2.4014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6265 1564SOL OW 6263 0.440 2.211 4.508 -0.0082 -0.3259 0.1862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6266 1564SOL HW1 6264 0.436 2.282 4.438 0.2786 0.2977 0.8005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6267 1564SOL HW2 6265 0.510 2.234 4.575 1.1727 -1.9439 -0.4243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6268 1565SOL OW 6266 1.023 3.338 4.124 0.1635 0.2378 0.2513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6269 1565SOL HW1 6267 0.982 3.347 4.034 1.6976 0.8899 -0.4272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6270 1565SOL HW2 6268 1.048 3.429 4.158 2.1270 -0.1929 0.0762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6271 1566SOL OW 6269 1.293 3.299 4.467 -0.5186 -0.4821 -0.9083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6272 1566SOL HW1 6270 1.264 3.388 4.433 2.0429 0.9467 0.3621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6273 1566SOL HW2 6271 1.229 3.267 4.536 -2.2443 -0.3680 -2.3847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6274 1567SOL OW 6272 1.499 2.499 4.104 0.1505 0.2567 -0.1443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6275 1567SOL HW1 6273 1.467 2.507 4.009 0.8489 -1.0568 -0.5060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6276 1567SOL HW2 6274 1.421 2.476 4.163 -0.1797 0.4751 -0.4904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6277 1568SOL OW 6275 0.413 3.436 4.809 0.3198 -1.0527 0.1831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6278 1568SOL HW1 6276 0.385 3.341 4.816 -1.2806 -0.5184 1.8451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6279 1568SOL HW2 6277 0.475 3.458 4.885 0.2003 -0.6338 0.1625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6280 1569SOL OW 6278 0.503 2.335 5.213 -0.2135 0.4391 -0.2470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6281 1569SOL HW1 6279 0.571 2.407 5.193 -0.1414 0.2438 -0.7235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6282 1569SOL HW2 6280 0.543 2.246 5.194 -0.7440 0.3433 -0.9530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6283 1570SOL OW 6281 1.747 2.830 5.462 0.3656 0.3809 0.4992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6284 1570SOL HW1 6282 1.690 2.818 5.544 2.1898 -1.6339 1.5843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6285 1570SOL HW2 6283 1.691 2.818 5.381 -1.2105 0.9501 1.4577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6286 1571SOL OW 6284 1.175 1.795 5.506 0.2457 0.2383 0.0876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6287 1571SOL HW1 6285 1.231 1.875 5.485 1.2550 -0.1745 1.0944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6288 1571SOL HW2 6286 1.229 1.712 5.494 -0.7327 -0.3147 -0.7653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6289 1572SOL OW 6287 0.463 2.045 5.482 -0.4421 0.1957 -0.2978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6290 1572SOL HW1 6288 0.511 2.122 5.441 1.5585 0.3122 2.0007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6291 1572SOL HW2 6289 0.389 2.079 5.541 -0.4148 0.2889 -0.3178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6292 1573SOL OW 6290 0.585 2.543 4.765 -0.3981 0.1797 0.1977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6293 1573SOL HW1 6291 0.586 2.641 4.781 -1.3167 0.1485 0.4882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6294 1573SOL HW2 6292 0.520 2.499 4.827 0.2322 -0.6539 0.2903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6295 1574SOL OW 6293 1.110 2.736 4.850 -0.2678 0.1429 0.7926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6296 1574SOL HW1 6294 1.098 2.692 4.938 0.5518 1.4138 1.5800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6297 1574SOL HW2 6295 1.208 2.745 4.830 -0.3050 2.7103 1.3295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6298 1575SOL OW 6296 1.202 2.293 3.939 0.3064 -0.2378 1.2253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6299 1575SOL HW1 6297 1.205 2.234 4.019 -1.9875 0.2218 1.7182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6300 1575SOL HW2 6298 1.160 2.380 3.963 2.9872 1.4312 0.3645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6301 1576SOL OW 6299 0.270 2.108 5.041 -0.3638 0.7322 0.1350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6302 1576SOL HW1 6300 0.281 2.010 5.024 -0.4831 0.8374 -0.5804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6303 1576SOL HW2 6301 0.267 2.125 5.139 0.9413 0.1599 0.2809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6304 1577SOL OW 6302 0.002 3.170 5.052 0.1530 -0.5417 -0.2313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6305 1577SOL HW1 6303 0.043 3.257 5.078 -0.6579 -0.4002 0.5922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6306 1577SOL HW2 6304 0.001 3.109 5.130 -1.4680 -0.4366 -0.1550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6307 1578SOL OW 6305 0.687 2.312 4.665 0.0353 -0.3562 0.4023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6308 1578SOL HW1 6306 0.725 2.321 4.574 -0.9168 -1.5650 -0.1549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6309 1578SOL HW2 6307 0.634 2.394 4.688 -4.0844 -1.9070 -2.3394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6310 1579SOL OW 6308 1.886 2.998 5.631 0.0145 -0.5950 -0.4086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6311 1579SOL HW1 6309 1.851 2.941 5.557 1.1120 -2.5943 0.5277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6312 1579SOL HW2 6310 1.911 2.940 5.709 1.0386 1.2044 0.6821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6313 1580SOL OW 6311 0.178 1.586 4.343 -0.7892 0.4301 0.0815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6314 1580SOL HW1 6312 0.229 1.519 4.397 1.2714 0.6435 -1.4686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6315 1580SOL HW2 6313 0.154 1.664 4.401 0.9343 0.4399 0.8383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6316 1581SOL OW 6314 1.695 2.276 4.081 0.0291 0.0897 -0.0314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6317 1581SOL HW1 6315 1.705 2.226 4.167 -0.1574 0.1234 0.0109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6318 1581SOL HW2 6316 1.654 2.365 4.100 -0.4352 -0.0842 -0.2111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6319 1582SOL OW 6317 0.930 2.521 4.478 -0.1971 0.2665 -0.2721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6320 1582SOL HW1 6318 0.964 2.507 4.571 -0.9087 0.5788 0.0431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6321 1582SOL HW2 6319 0.891 2.435 4.444 2.1089 -0.4979 -1.1737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6322 1583SOL OW 6320 0.965 3.402 5.212 0.0750 0.3805 -0.4200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6323 1583SOL HW1 6321 1.018 3.458 5.148 1.7481 2.0467 2.2323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6324 1583SOL HW2 6322 1.004 3.310 5.216 3.2541 1.6495 1.7150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6325 1584SOL OW 6323 1.814 3.613 5.382 -0.4119 -0.2625 0.0624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6326 1584SOL HW1 6324 1.852 3.597 5.291 -0.9111 0.0592 -0.2074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6327 1584SOL HW2 6325 1.856 3.550 5.447 -0.7177 -1.1153 -0.5542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6328 1585SOL OW 6326 0.528 2.662 5.361 -0.3095 0.0719 0.2037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6329 1585SOL HW1 6327 0.531 2.605 5.279 -0.6784 0.2725 0.0479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6330 1585SOL HW2 6328 0.598 2.733 5.355 -1.3174 1.0137 -0.6306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6331 1586SOL OW 6329 1.530 2.165 3.902 0.7413 -0.0010 0.0762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6332 1586SOL HW1 6330 1.472 2.089 3.933 0.4259 0.2151 0.0135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6333 1586SOL HW2 6331 1.578 2.204 3.981 -0.0531 0.5420 0.2976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6334 1587SOL OW 6332 1.272 2.656 3.682 0.0683 -0.2482 0.8365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6335 1587SOL HW1 6333 1.338 2.581 3.686 -0.7629 -1.1925 -1.4603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6336 1587SOL HW2 6334 1.269 2.694 3.590 -2.2330 0.0614 0.9726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6337 1588SOL OW 6335 0.864 3.169 4.517 0.5296 0.5605 0.0851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6338 1588SOL HW1 6336 0.863 3.088 4.458 0.5800 0.1708 0.6195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6339 1588SOL HW2 6337 0.947 3.169 4.572 -0.0450 0.3356 0.9706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6340 1589SOL OW 6338 0.164 2.725 4.513 -0.4563 -0.3409 -0.6135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6341 1589SOL HW1 6339 0.132 2.728 4.419 -0.5935 -1.2705 -0.6087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6342 1589SOL HW2 6340 0.120 2.649 4.561 1.1640 -1.1800 -0.3839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6343 1590SOL OW 6341 0.197 2.225 4.620 0.2416 0.5786 0.0095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6344 1590SOL HW1 6342 0.137 2.170 4.562 -0.0045 0.7830 0.0685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6345 1590SOL HW2 6343 0.292 2.207 4.597 0.1500 0.4289 -0.2460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6346 1591SOL OW 6344 1.397 2.171 5.301 -0.3343 -0.0958 0.1431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6347 1591SOL HW1 6345 1.350 2.257 5.320 1.5839 0.6974 1.6220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6348 1591SOL HW2 6346 1.482 2.189 5.251 0.6892 -0.9384 1.4792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6349 1592SOL OW 6347 1.259 2.003 5.141 0.7744 -0.5871 0.8508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6350 1592SOL HW1 6348 1.309 2.017 5.226 1.9457 -1.7823 0.3816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6351 1592SOL HW2 6349 1.276 2.079 5.079 0.5609 -0.1120 1.3673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6352 1593SOL OW 6350 7.209 3.383 4.120 0.0851 0.0187 0.3374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6353 1593SOL HW1 6351 7.151 3.312 4.081 0.5575 0.1614 -0.6456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6354 1593SOL HW2 6352 7.156 3.438 4.185 -0.8201 0.0427 -0.4090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6355 1594SOL OW 6353 0.091 3.659 4.690 0.5239 -0.3934 -0.3230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6356 1594SOL HW1 6354 0.026 3.611 4.632 0.0024 -0.8498 0.6252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6357 1594SOL HW2 6355 0.182 3.657 4.647 0.6121 -2.5604 -0.1535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6358 1595SOL OW 6356 0.588 3.449 4.567 0.9056 -0.0762 -0.2790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6359 1595SOL HW1 6357 0.602 3.525 4.631 -1.1202 -0.0812 0.2264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6360 1595SOL HW2 6358 0.594 3.362 4.617 2.1917 -0.2429 -0.6709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6361 1596SOL OW 6359 1.042 2.489 4.727 0.3046 -0.5792 0.3324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6362 1596SOL HW1 6360 1.043 2.398 4.769 1.3709 -0.7798 -0.0974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6363 1596SOL HW2 6361 1.090 2.554 4.785 3.6556 -1.2901 -1.3980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6364 1597SOL OW 6362 0.054 2.490 4.621 -0.2851 -0.0164 0.3918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6365 1597SOL HW1 6363 0.089 2.397 4.610 0.1633 0.2492 -0.4666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6366 1597SOL HW2 6364 0.040 2.508 4.719 2.1170 -0.1083 0.8264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6367 1598SOL OW 6365 0.222 2.236 5.288 -0.3311 0.6162 0.5712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6368 1598SOL HW1 6366 0.313 2.278 5.290 -0.4963 0.9950 0.2408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6369 1598SOL HW2 6367 0.153 2.304 5.311 -0.5577 0.3962 0.5459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6370 1599SOL OW 6368 1.310 2.858 5.372 0.5835 0.1520 0.2648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6371 1599SOL HW1 6369 1.374 2.930 5.396 0.1242 0.4149 0.7298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6372 1599SOL HW2 6370 1.317 2.837 5.274 1.0393 0.5047 0.2231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6373 1600SOL OW 6371 0.718 2.502 3.924 0.1196 0.3384 -0.6437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6374 1600SOL HW1 6372 0.763 2.418 3.956 0.8080 0.4321 -1.3501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6375 1600SOL HW2 6373 0.690 2.556 4.003 0.9542 0.1207 -0.1812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6376 1601SOL OW 6374 1.576 2.507 4.842 -0.0482 -0.3480 1.1774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6377 1601SOL HW1 6375 1.536 2.418 4.865 -1.0567 0.3909 2.3808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6378 1601SOL HW2 6376 1.671 2.494 4.813 -0.2354 -1.8243 1.1356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6379 1602SOL OW 6377 0.237 3.395 5.393 -0.3606 -0.3507 -0.1213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6380 1602SOL HW1 6378 0.179 3.452 5.451 -0.9828 -2.2384 1.2217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6381 1602SOL HW2 6379 0.329 3.434 5.388 -1.3439 2.0243 -1.2600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6382 1603SOL OW 6380 0.747 2.263 4.920 0.4450 -0.2549 -0.1111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6383 1603SOL HW1 6381 0.668 2.207 4.942 0.0396 -0.2202 -1.4296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6384 1603SOL HW2 6382 0.731 2.313 4.835 0.0962 3.1529 1.7545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6385 1604SOL OW 6383 1.032 3.434 4.928 0.2669 -0.1915 0.3324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6386 1604SOL HW1 6384 0.938 3.401 4.924 0.2847 -0.5113 1.8147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6387 1604SOL HW2 6385 1.045 3.507 4.861 -0.6952 -0.9458 -0.6996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6388 1605SOL OW 6386 0.291 2.392 3.796 0.4737 0.3971 0.6678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6389 1605SOL HW1 6387 0.269 2.423 3.704 -0.3558 -1.1673 0.3056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6390 1605SOL HW2 6388 0.282 2.469 3.860 0.5565 1.3796 -0.4652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6391 1606SOL OW 6389 0.283 2.869 5.286 0.5008 -0.1150 -0.2093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6392 1606SOL HW1 6390 0.362 2.849 5.344 1.3695 0.1006 -1.2929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6393 1606SOL HW2 6391 0.275 2.968 5.274 0.9853 -0.2002 -1.3355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6394 1607SOL OW 6392 0.952 2.975 4.769 -0.0951 -0.2196 0.7363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6395 1607SOL HW1 6393 0.996 2.886 4.778 -1.1547 -0.8221 0.2006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6396 1607SOL HW2 6394 0.934 3.013 4.860 1.6096 0.1106 0.9642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6397 1608SOL OW 6395 1.359 2.745 3.980 0.3467 -0.3587 0.4927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6398 1608SOL HW1 6396 1.355 2.719 4.076 -0.7168 -0.3599 0.4569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6399 1608SOL HW2 6397 1.379 2.665 3.924 0.1479 -0.5137 0.6434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6400 1609SOL OW 6398 1.774 3.524 4.879 0.0273 0.0691 0.0239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6401 1609SOL HW1 6399 1.864 3.530 4.920 -0.5073 0.7572 1.1472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6402 1609SOL HW2 6400 1.766 3.439 4.826 0.6314 -1.0323 1.6367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6403 1610SOL OW 6401 1.301 3.669 4.718 0.1521 0.3025 0.1446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6404 1610SOL HW1 6402 1.389 3.648 4.759 -0.9294 -1.5296 1.6716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6405 1610SOL HW2 6403 1.306 3.758 4.672 1.7027 2.1212 3.4930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6406 1611SOL OW 6404 0.125 3.084 4.840 0.5039 0.3112 -0.2864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6407 1611SOL HW1 6405 0.104 3.097 4.937 1.4266 0.6551 -0.1297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6408 1611SOL HW2 6406 0.119 2.986 4.818 2.6737 -0.0959 0.6986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6409 1612SOL OW 6407 0.708 3.432 5.341 -0.2794 0.5832 -0.1090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6410 1612SOL HW1 6408 0.669 3.510 5.293 -1.0713 1.5131 1.9369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6411 1612SOL HW2 6409 0.803 3.419 5.312 -0.3450 1.8499 -0.9882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6412 1613SOL OW 6410 1.773 2.121 4.292 0.3350 -0.0401 0.1929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6413 1613SOL HW1 6411 1.873 2.114 4.282 0.4063 1.2812 -0.1448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6414 1613SOL HW2 6412 1.737 2.032 4.322 1.4307 -0.9651 -1.0745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6415 1614SOL OW 6413 1.321 3.370 4.047 -0.1251 -0.0619 -0.6600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6416 1614SOL HW1 6414 1.258 3.326 3.983 -0.3306 -0.9526 0.1213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6417 1614SOL HW2 6415 1.305 3.468 4.048 -0.1997 -0.0458 -1.8716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6418 1615SOL OW 6416 0.043 3.547 5.559 0.4179 0.1555 0.4475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6419 1615SOL HW1 6417 -0.032 3.483 5.572 -0.9425 1.0419 -2.1827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6420 1615SOL HW2 6418 0.037 3.620 5.627 -0.7717 -0.0893 0.6236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6421 1616SOL OW 6419 1.108 2.905 4.332 -0.0812 0.8277 0.0696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6422 1616SOL HW1 6420 1.157 2.887 4.417 -0.1117 -1.3247 -0.3085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6423 1616SOL HW2 6421 1.149 2.983 4.286 1.6467 0.3874 0.7779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6424 1617SOL OW 6422 0.674 3.054 5.177 0.1841 -0.4068 -0.5466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6425 1617SOL HW1 6423 0.707 3.087 5.265 -0.8440 -0.9917 0.0777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6426 1617SOL HW2 6424 0.608 3.119 5.139 0.8688 0.0049 -1.0517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6427 1618SOL OW 6425 0.594 3.565 3.944 -0.1626 0.2637 -0.4103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6428 1618SOL HW1 6426 0.580 3.528 3.853 -0.3215 -0.7388 0.0058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6429 1618SOL HW2 6427 0.578 3.493 4.012 1.4090 0.5920 0.3553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6430 1619SOL OW 6428 1.567 3.574 5.069 -0.8394 -0.0272 -0.3262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6431 1619SOL HW1 6429 1.634 3.531 5.008 -0.3067 0.1481 0.1187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6432 1619SOL HW2 6430 1.551 3.668 5.041 -1.6223 -0.3531 -0.9988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6433 1620SOL OW 6431 1.780 2.160 4.671 -0.0859 -0.3624 -0.1057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6434 1620SOL HW1 6432 1.700 2.166 4.612 -1.1602 1.4507 1.4208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6435 1620SOL HW2 6433 1.795 2.248 4.716 1.4195 -1.3106 1.3618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6436 1621SOL OW 6434 0.194 2.074 4.242 0.0963 -0.5924 0.1709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6437 1621SOL HW1 6435 0.168 2.019 4.163 -1.1072 0.4899 -0.2192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6438 1621SOL HW2 6436 0.140 2.047 4.322 -1.0578 0.5072 -0.2136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6439 1622SOL OW 6437 0.986 3.519 3.610 -0.0826 -0.4132 0.0706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6440 1622SOL HW1 6438 0.925 3.455 3.564 0.2264 -1.1136 0.5990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6441 1622SOL HW2 6439 1.081 3.501 3.582 0.4806 -2.7182 2.9083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6442 1623SOL OW 6440 0.632 2.819 5.058 -0.8234 -0.6125 -0.1086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6443 1623SOL HW1 6441 0.658 2.840 4.964 -0.2159 0.6317 0.3122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6444 1623SOL HW2 6442 0.646 2.900 5.115 -1.3551 -1.2934 1.0203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6445 1624SOL OW 6443 1.043 2.978 3.830 0.4975 0.3969 -0.4800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6446 1624SOL HW1 6444 1.035 2.907 3.760 1.1163 -1.0245 0.8421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6447 1624SOL HW2 6445 1.139 2.991 3.854 0.1829 -0.7650 1.6648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6448 1625SOL OW 6446 1.365 3.397 3.733 -0.2566 0.9210 0.2390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6449 1625SOL HW1 6447 1.370 3.489 3.774 0.5919 0.8512 0.3124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6450 1625SOL HW2 6448 1.426 3.393 3.654 0.4045 0.1578 0.7749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6451 1626SOL OW 6449 0.241 3.147 5.250 -0.6058 0.4514 0.1851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6452 1626SOL HW1 6450 0.235 3.217 5.322 0.5271 2.0782 -1.1952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6453 1626SOL HW2 6451 0.326 3.161 5.198 -1.2349 -0.8760 -1.2599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6454 1627SOL OW 6452 1.705 3.120 4.984 -0.1422 0.5801 -0.0488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6455 1627SOL HW1 6453 1.781 3.176 5.016 0.4745 0.8665 -1.8642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6456 1627SOL HW2 6454 1.627 3.179 4.962 -0.0029 0.5718 -0.5738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6457 1628SOL OW 6455 0.815 2.948 4.370 -0.5588 -0.5946 0.0642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6458 1628SOL HW1 6456 0.792 2.884 4.443 0.5962 -0.2877 0.7284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6459 1628SOL HW2 6457 0.902 2.921 4.328 0.3707 0.9287 0.8877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6460 1629SOL OW 6458 1.253 2.162 4.568 -0.4083 0.4816 0.5814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6461 1629SOL HW1 6459 1.170 2.147 4.514 -0.8632 -0.4993 1.4927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6462 1629SOL HW2 6460 1.249 2.106 4.651 0.4471 1.6340 1.4391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6463 1630SOL OW 6461 0.509 3.184 4.424 0.0286 -0.5672 -0.1575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6464 1630SOL HW1 6462 0.570 3.185 4.344 -1.4689 0.3276 -1.3333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6465 1630SOL HW2 6463 0.488 3.278 4.451 -1.8705 -0.8162 -0.6347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6466 1631SOL OW 6464 1.628 2.293 5.094 -0.0903 -0.5811 0.0430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6467 1631SOL HW1 6465 1.684 2.372 5.070 -0.2486 -0.7354 -0.8830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6468 1631SOL HW2 6466 1.671 2.210 5.059 -0.5369 -0.7738 -0.0655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6469 1632SOL OW 6467 0.201 3.277 4.208 0.1943 0.2572 0.2372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6470 1632SOL HW1 6468 0.114 3.313 4.174 -1.3202 -1.1845 2.3173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6471 1632SOL HW2 6469 0.201 3.279 4.308 2.0297 -0.9515 0.3148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6472 1633SOL OW 6470 0.268 2.794 5.607 0.3319 -0.3752 0.3215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6473 1633SOL HW1 6471 0.189 2.844 5.572 -0.0532 -0.2065 1.4142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6474 1633SOL HW2 6472 0.249 2.696 5.604 -0.1845 -0.3112 1.1728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6475 1634SOL OW 6473 0.822 1.919 5.276 -0.8293 0.1379 -0.4067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6476 1634SOL HW1 6474 0.906 1.906 5.223 -0.8225 1.1981 -0.6766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6477 1634SOL HW2 6475 0.840 1.901 5.372 0.1688 1.9862 -0.2024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6478 1635SOL OW 6476 0.026 2.203 3.692 -0.1748 0.0553 0.3486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6479 1635SOL HW1 6477 0.075 2.204 3.779 -0.3554 -0.6924 0.4628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6480 1635SOL HW2 6478 -0.059 2.255 3.701 0.6695 1.5547 0.0888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6481 1636SOL OW 6479 1.319 2.798 5.108 -0.3893 0.3509 -0.0181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6482 1636SOL HW1 6480 1.250 2.726 5.103 -0.1406 0.1273 -0.2531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6483 1636SOL HW2 6481 1.403 2.767 5.063 -0.6680 1.2227 -1.1720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6484 1637SOL OW 6482 0.142 2.213 3.936 -0.2910 -0.5735 0.0670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6485 1637SOL HW1 6483 0.223 2.252 3.892 -1.3879 1.6421 -0.1670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6486 1637SOL HW2 6484 0.163 2.123 3.973 2.3323 0.0739 0.2911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6487 1638SOL OW 6485 1.247 3.154 3.694 -0.2568 0.1240 0.1102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6488 1638SOL HW1 6486 1.279 3.091 3.765 0.8332 -0.2090 -0.6482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6489 1638SOL HW2 6487 1.300 3.239 3.699 0.4113 -0.2226 -0.8146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6490 1639SOL OW 6488 0.618 2.555 5.094 -0.3754 0.8319 0.2038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6491 1639SOL HW1 6489 0.626 2.653 5.073 -0.4829 1.1580 1.5978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6492 1639SOL HW2 6490 0.702 2.508 5.066 0.4728 1.6644 1.2567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6493 1640SOL OW 6491 1.552 3.659 4.783 -0.1144 -0.4105 -0.1423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6494 1640SOL HW1 6492 1.544 3.739 4.842 2.0440 -0.0006 -0.2999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6495 1640SOL HW2 6493 1.644 3.621 4.791 -0.6506 -2.0310 -1.1461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6496 1641SOL OW 6494 0.863 2.324 5.327 -0.0156 -0.0850 -0.0495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6497 1641SOL HW1 6495 0.895 2.322 5.421 1.9047 -0.3232 -0.6515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6498 1641SOL HW2 6496 0.794 2.253 5.313 0.4645 -0.7663 0.9354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6499 1642SOL OW 6497 1.447 3.118 5.346 -0.0753 0.0304 1.0324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6500 1642SOL HW1 6498 1.426 3.150 5.439 0.2081 3.0318 0.1778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6501 1642SOL HW2 6499 1.542 3.140 5.325 -0.8074 1.7978 -0.7782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6502 1643SOL OW 6500 0.312 3.772 5.102 0.2736 0.3408 -0.1162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6503 1643SOL HW1 6501 0.276 3.713 5.030 -1.3217 2.3260 -1.0216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6504 1643SOL HW2 6502 0.261 3.754 5.187 -1.1575 1.3030 -0.7319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6505 1644SOL OW 6503 1.536 2.716 4.979 0.2487 -0.1762 -0.3347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6506 1644SOL HW1 6504 1.550 2.629 4.932 -0.0647 -0.2964 -0.2068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6507 1644SOL HW2 6505 1.562 2.791 4.919 -1.0348 -0.2757 -1.0497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6508 1645SOL OW 6506 1.206 2.188 4.227 0.2832 0.3559 0.2892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6509 1645SOL HW1 6507 1.286 2.129 4.235 0.2922 0.5507 2.0566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6510 1645SOL HW2 6508 1.233 2.283 4.245 -0.2467 0.4903 0.3824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6511 1646SOL OW 6509 0.032 2.617 4.301 0.2459 0.1803 0.0406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6512 1646SOL HW1 6510 -0.047 2.558 4.292 0.3430 -0.1222 1.1434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6513 1646SOL HW2 6511 0.101 2.592 4.232 -0.9408 1.0209 -1.5064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6514 1647SOL OW 6512 1.653 2.395 5.380 0.5003 -0.2821 -0.5201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6515 1647SOL HW1 6513 1.671 2.393 5.282 -1.4583 -1.9889 -0.9036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6516 1647SOL HW2 6514 1.657 2.302 5.417 1.3252 0.3414 1.0748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6517 1648SOL OW 6515 1.589 2.736 5.268 -0.4464 -0.2337 0.1094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6518 1648SOL HW1 6516 1.514 2.670 5.268 0.4227 -1.2576 0.7323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6519 1648SOL HW2 6517 1.625 2.745 5.175 -0.6665 -0.5420 -0.0078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6520 1649SOL OW 6518 0.823 3.191 3.863 -0.1570 -0.4339 0.4827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6521 1649SOL HW1 6519 0.848 3.156 3.954 -0.3648 -0.8562 0.3788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6522 1649SOL HW2 6520 0.896 3.168 3.798 0.5041 0.8070 0.7527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6523 1650SOL OW 6521 0.671 3.672 4.712 -0.1054 0.4628 0.8802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6524 1650SOL HW1 6522 0.611 3.751 4.724 0.6314 1.5515 -1.8096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6525 1650SOL HW2 6523 0.752 3.700 4.660 -0.3240 -2.2324 -1.0997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6526 1651SOL OW 6524 0.764 2.724 4.503 0.7610 -0.1539 -0.3746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6527 1651SOL HW1 6525 0.832 2.651 4.498 0.8078 -0.0704 -1.0646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6528 1651SOL HW2 6526 0.711 2.715 4.588 0.6492 -1.0861 -0.5306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6529 1652SOL OW 6527 1.042 2.565 3.765 -0.0005 0.3714 -0.2460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6530 1652SOL HW1 6528 0.989 2.641 3.727 -2.0392 0.4098 2.3400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6531 1652SOL HW2 6529 1.139 2.584 3.756 -0.4267 1.8122 -2.4079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6532 1653SOL OW 6530 1.751 3.493 4.521 -0.7052 0.1087 0.3944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6533 1653SOL HW1 6531 1.654 3.504 4.501 -0.6943 1.0537 0.8374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6534 1653SOL HW2 6532 1.762 3.434 4.601 -0.9774 1.2051 1.2515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6535 1654SOL OW 6533 0.207 3.150 5.608 -0.3103 -0.1207 -0.2545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6536 1654SOL HW1 6534 0.306 3.144 5.611 -0.2994 -1.7863 -1.9309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6537 1654SOL HW2 6535 0.170 3.139 5.700 1.0242 -0.3260 0.2744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6538 1655SOL OW 6536 7.254 3.241 4.656 -0.4206 0.1183 0.6007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6539 1655SOL HW1 6537 7.181 3.174 4.642 1.4373 -1.7051 -1.2537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6540 1655SOL HW2 6538 7.323 3.202 4.718 0.3918 0.5227 -0.0297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6541 1656SOL OW 6539 0.668 3.147 5.437 -0.1528 -0.1523 0.6055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6542 1656SOL HW1 6540 0.592 3.149 5.502 0.5762 -0.6604 1.5058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6543 1656SOL HW2 6541 0.701 3.240 5.421 -1.1990 0.1068 -0.0883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6544 1657SOL OW 6542 1.725 2.085 4.961 -0.4167 0.2215 0.1456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6545 1657SOL HW1 6543 1.643 2.030 4.974 0.1546 -0.9450 -0.9166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6546 1657SOL HW2 6544 1.752 2.083 4.864 1.4847 -0.3925 0.6371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6547 1658SOL OW 6545 0.337 2.295 4.197 0.1018 -0.6585 0.8198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6548 1658SOL HW1 6546 0.420 2.261 4.153 -1.0018 -1.0570 -1.0866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6549 1658SOL HW2 6547 0.275 2.218 4.214 -1.3705 0.0137 -1.1815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6550 1659SOL OW 6548 1.739 3.297 4.717 -0.8425 0.2136 0.1179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6551 1659SOL HW1 6549 1.650 3.265 4.749 -0.7788 -0.8727 -0.7142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6552 1659SOL HW2 6550 1.793 3.219 4.685 0.0423 0.9671 -0.2882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6553 1660SOL OW 6551 0.173 2.305 4.886 -0.3812 -0.4427 0.3282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6554 1660SOL HW1 6552 0.200 2.231 4.948 -1.6662 -0.9999 0.2448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6555 1660SOL HW2 6553 0.195 2.279 4.792 -0.0602 -0.3574 0.3791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6556 1661SOL OW 6554 0.719 3.532 4.326 0.3684 -0.0740 0.6125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6557 1661SOL HW1 6555 0.692 3.627 4.307 1.6135 0.3155 0.6516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6558 1661SOL HW2 6556 0.677 3.502 4.411 0.2983 0.6070 0.8295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6559 1662SOL OW 6557 1.497 2.249 4.852 -0.4077 0.1828 0.0502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6560 1662SOL HW1 6558 1.555 2.173 4.882 0.0536 -0.3491 -2.0495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6561 1662SOL HW2 6559 1.403 2.231 4.881 -0.0193 -0.2831 1.1181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6562 1663SOL OW 6560 1.018 1.939 4.803 0.0181 -0.3663 0.5851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6563 1663SOL HW1 6561 0.948 1.873 4.774 -0.1691 0.5690 -1.2930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6564 1663SOL HW2 6562 1.108 1.909 4.770 0.2255 -0.5889 1.3273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6565 1664SOL OW 6563 0.727 3.170 4.233 -0.7601 -0.0972 -0.3681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6566 1664SOL HW1 6564 0.743 3.072 4.247 -3.0061 -0.2977 1.2483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6567 1664SOL HW2 6565 0.802 3.222 4.273 0.0345 -1.1160 -0.5022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6568 1665SOL OW 6566 0.577 3.421 5.031 0.0150 -0.5860 0.1731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6569 1665SOL HW1 6567 0.585 3.497 5.095 -0.7254 0.8068 -1.3249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6570 1665SOL HW2 6568 0.668 3.397 4.997 0.0225 1.5942 -1.5061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6571 1666SOL OW 6569 1.377 1.954 3.961 0.7828 -0.0622 -0.0720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6572 1666SOL HW1 6570 1.417 1.939 3.871 -0.4486 0.6320 -0.7577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6573 1666SOL HW2 6571 1.315 1.878 3.983 1.2393 -0.3370 0.2987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6574 1667SOL OW 6572 1.281 2.504 4.301 0.7178 0.2782 -0.1616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6575 1667SOL HW1 6573 1.196 2.550 4.276 2.1189 3.2993 0.2755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6576 1667SOL HW2 6574 1.278 2.479 4.398 -0.3673 -1.4558 -0.5870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6577 1668SOL OW 6575 1.547 2.183 4.553 -0.3557 0.2831 -0.7094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6578 1668SOL HW1 6576 1.552 2.233 4.639 -1.5663 -0.2462 -0.2972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6579 1668SOL HW2 6577 1.453 2.151 4.538 -0.2867 0.7841 -2.4811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6580 1669SOL OW 6578 0.025 2.915 3.722 0.4542 -0.2402 0.2515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6581 1669SOL HW1 6579 0.047 2.894 3.817 -0.6472 -0.4730 0.4634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6582 1669SOL HW2 6580 -0.059 2.868 3.696 -1.8608 3.3768 0.5741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6583 1670SOL OW 6581 0.851 3.671 4.028 0.0675 0.1798 -0.4248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6584 1670SOL HW1 6582 0.761 3.636 3.999 0.2256 1.3850 -2.5799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6585 1670SOL HW2 6583 0.844 3.768 4.048 1.0740 0.5576 -1.7439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6586 1671SOL OW 6584 7.249 2.438 5.395 0.7167 0.4055 -0.1820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6587 1671SOL HW1 6585 7.237 2.537 5.392 1.6444 0.5093 -0.8421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6588 1671SOL HW2 6586 7.198 2.396 5.320 1.0787 0.4655 -0.4608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6589 1672SOL OW 6587 0.165 2.176 6.453 -0.8665 -0.4125 0.0654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6590 1672SOL HW1 6588 0.237 2.110 6.431 -1.2976 -0.6414 -0.6935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6591 1672SOL HW2 6589 0.083 2.126 6.481 -0.8104 -0.1593 0.6916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6592 1673SOL OW 6590 7.190 2.158 6.232 -0.1874 -0.5637 0.4958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6593 1673SOL HW1 6591 7.170 2.060 6.235 -1.3271 -0.3267 1.6833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6594 1673SOL HW2 6592 7.159 2.200 6.317 2.2587 0.4928 0.9270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6595 1674SOL OW 6593 0.536 3.092 6.631 -0.4295 0.6648 0.1830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6596 1674SOL HW1 6594 0.559 3.169 6.570 -0.3367 0.7680 0.3476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6597 1674SOL HW2 6595 0.553 3.118 6.726 -0.6432 0.5282 0.2606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6598 1675SOL OW 6596 1.388 3.509 6.182 -0.5769 -0.6041 0.3994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6599 1675SOL HW1 6597 1.388 3.471 6.274 -2.6091 -0.9258 0.3279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6600 1675SOL HW2 6598 1.378 3.435 6.115 0.2993 -0.3278 -0.0445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6601 1676SOL OW 6599 1.258 2.652 6.005 -0.8941 -0.3211 0.1943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6602 1676SOL HW1 6600 1.310 2.733 5.977 0.9062 -1.6355 -0.4199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6603 1676SOL HW2 6601 1.234 2.661 6.102 2.4609 -0.5742 1.1910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6604 1677SOL OW 6602 2.004 2.462 5.691 0.2980 -0.2035 -0.2078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6605 1677SOL HW1 6603 1.945 2.480 5.613 -0.6400 0.9320 0.7243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6606 1677SOL HW2 6604 2.004 2.363 5.710 -1.3118 -0.2457 -0.2493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6607 1678SOL OW 6605 0.769 2.938 6.746 -0.2686 -0.0987 0.1057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6608 1678SOL HW1 6606 0.704 3.003 6.706 1.5815 1.2091 -0.9019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6609 1678SOL HW2 6607 0.816 2.889 6.673 0.2374 -0.6582 0.7972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6610 1679SOL OW 6608 0.792 2.707 0.131 -0.0034 0.5457 -0.1081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6611 1679SOL HW1 6609 0.802 2.678 0.036 -1.3044 1.2262 -0.4800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6612 1679SOL HW2 6610 0.853 2.653 0.189 -0.7462 -1.4245 -1.0404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6613 1680SOL OW 6611 0.601 2.755 6.399 -0.1213 -0.3434 -0.3832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6614 1680SOL HW1 6612 0.651 2.835 6.366 0.8777 -0.1411 1.4638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6615 1680SOL HW2 6613 0.530 2.784 6.464 0.9211 -0.9537 1.1039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6616 1681SOL OW 6614 0.258 3.241 6.539 -0.0995 0.4435 0.3654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6617 1681SOL HW1 6615 0.185 3.177 6.562 -0.9519 2.1000 2.5993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6618 1681SOL HW2 6616 0.337 3.191 6.505 -0.8756 -1.7450 1.6264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6619 1682SOL OW 6617 1.219 3.222 6.961 0.1878 0.0678 0.6105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6620 1682SOL HW1 6618 1.269 3.308 6.968 -1.8391 1.3567 0.0370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6621 1682SOL HW2 6619 1.136 3.227 7.016 1.5654 -2.7929 3.3035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6622 1683SOL OW 6620 0.349 2.286 6.898 -0.2692 -0.1827 -0.5502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6623 1683SOL HW1 6621 0.376 2.218 6.966 1.0161 -0.0544 -0.9051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6624 1683SOL HW2 6622 0.255 2.268 6.869 -1.2418 0.3697 1.9701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6625 1684SOL OW 6623 1.556 2.328 6.284 0.0943 0.0256 -0.2439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6626 1684SOL HW1 6624 1.499 2.362 6.209 -0.1228 0.5989 0.1820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6627 1684SOL HW2 6625 1.536 2.378 6.368 1.9520 0.9402 -0.3044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6628 1685SOL OW 6626 7.178 3.703 6.032 -0.4100 0.0569 -0.2254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6629 1685SOL HW1 6627 7.265 3.686 6.078 -0.7047 -3.2402 -0.6360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6630 1685SOL HW2 6628 7.190 3.687 5.934 -1.6196 -1.1943 -0.1837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6631 1686SOL OW 6629 0.050 3.376 5.997 0.0218 -0.0025 0.0196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6632 1686SOL HW1 6630 0.149 3.379 6.007 0.0343 0.4795 -0.2025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6633 1686SOL HW2 6631 0.008 3.354 6.086 0.3782 -1.4255 -0.1424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6634 1687SOL OW 6632 0.274 3.025 6.329 -0.6718 0.1895 -0.4645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6635 1687SOL HW1 6633 0.297 2.968 6.407 1.2031 0.1816 -0.9908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6636 1687SOL HW2 6634 0.305 2.982 6.245 -0.5380 1.2949 -1.0039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6637 1688SOL OW 6635 0.538 3.534 7.224 -0.1169 0.4873 0.2965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6638 1688SOL HW1 6636 0.446 3.574 7.227 0.6621 2.4245 3.7880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6639 1688SOL HW2 6637 0.602 3.600 7.185 0.1876 0.1239 0.1775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6640 1689SOL OW 6638 0.686 2.625 5.591 1.0730 -0.3685 0.1024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6641 1689SOL HW1 6639 0.605 2.629 5.532 -0.4497 0.2777 2.1312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6642 1689SOL HW2 6640 0.765 2.661 5.541 -0.5016 1.8053 -1.0000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6643 1690SOL OW 6641 1.745 2.103 7.190 -0.4736 -0.2196 0.3441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6644 1690SOL HW1 6642 1.766 2.164 7.114 -0.0124 -0.7471 0.0382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6645 1690SOL HW2 6643 1.660 2.132 7.234 -0.7150 0.1258 -0.3399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6646 1691SOL OW 6644 0.130 2.330 6.140 0.1093 -0.8814 -0.3408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6647 1691SOL HW1 6645 0.068 2.261 6.176 0.4152 -0.6521 0.6532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6648 1691SOL HW2 6646 0.079 2.413 6.120 -0.2671 -1.3871 -1.5797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6649 1692SOL OW 6647 1.807 3.699 5.775 -0.0878 0.0991 0.2732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6650 1692SOL HW1 6648 1.872 3.729 5.844 0.6808 -1.7114 0.4003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6651 1692SOL HW2 6649 1.815 3.756 5.694 -0.7331 2.0158 1.4894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6652 1693SOL OW 6650 7.197 3.263 5.603 -0.2235 0.1415 -0.5717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6653 1693SOL HW1 6651 7.284 3.218 5.623 0.4261 1.5847 -0.0928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6654 1693SOL HW2 6652 7.144 3.272 5.687 0.0541 1.0739 -0.4885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6655 1694SOL OW 6653 1.723 3.088 6.271 -0.1460 -0.2817 -0.8867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6656 1694SOL HW1 6654 1.819 3.112 6.263 -0.2854 0.3666 -0.6997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6657 1694SOL HW2 6655 1.666 3.164 6.238 -0.6137 0.2250 0.9540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6658 1695SOL OW 6656 1.777 3.096 5.945 -0.6976 -0.3471 0.0885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6659 1695SOL HW1 6657 1.844 3.021 5.946 0.6477 0.8078 -0.1254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6660 1695SOL HW2 6658 1.818 3.178 5.985 -1.9094 0.4834 -0.3040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6661 1696SOL OW 6659 0.094 2.478 7.195 0.6726 0.1673 0.3158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6662 1696SOL HW1 6660 0.168 2.498 7.131 0.3047 0.2463 -0.0882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6663 1696SOL HW2 6661 0.009 2.519 7.162 0.3959 -0.1306 0.6507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6664 1697SOL OW 6662 0.290 3.343 6.118 -0.9651 -0.3213 -0.5468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6665 1697SOL HW1 6663 0.245 3.374 6.202 -3.5787 -0.7686 -1.6591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6666 1697SOL HW2 6664 0.342 3.261 6.136 -1.4068 -0.3581 0.6656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6667 1698SOL OW 6665 1.290 2.838 6.703 0.1996 0.2312 0.1733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6668 1698SOL HW1 6666 1.353 2.856 6.628 0.2525 0.9637 0.3830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6669 1698SOL HW2 6667 1.319 2.888 6.784 -0.0002 -0.3490 0.6136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6670 1699SOL OW 6668 0.768 1.808 5.971 -0.3326 0.0067 0.2758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6671 1699SOL HW1 6669 0.785 1.902 5.942 0.1113 0.0070 0.5279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6672 1699SOL HW2 6670 0.701 1.807 6.044 -0.2237 0.1388 0.3771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6673 1700SOL OW 6671 0.228 2.670 6.917 0.3058 -0.8400 0.0201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6674 1700SOL HW1 6672 0.261 2.594 6.971 0.9003 -1.1035 -0.6982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6675 1700SOL HW2 6673 0.299 2.700 6.853 0.5101 1.0596 1.0513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6676 1701SOL OW 6674 1.577 3.076 5.745 0.1099 -0.5208 0.1061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6677 1701SOL HW1 6675 1.600 2.981 5.726 2.6595 -0.1084 0.8113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6678 1701SOL HW2 6676 1.647 3.117 5.803 -1.5212 1.4948 0.7883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6679 1702SOL OW 6677 1.365 3.612 6.972 0.3660 -0.0110 -0.0600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6680 1702SOL HW1 6678 1.403 3.693 6.929 -0.6705 0.8469 0.5920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6681 1702SOL HW2 6679 1.357 3.626 7.070 -2.4327 0.2532 -0.2282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6682 1703SOL OW 6680 0.095 2.066 0.092 -0.2895 0.3323 -0.1564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6683 1703SOL HW1 6681 0.003 2.107 0.098 0.5372 2.0480 3.1945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6684 1703SOL HW2 6682 0.153 2.124 0.035 -0.4704 1.0883 0.4030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6685 1704SOL OW 6683 1.336 3.374 6.425 -0.1102 0.1687 0.1382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6686 1704SOL HW1 6684 1.314 3.367 6.523 0.0300 0.1538 0.1684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6687 1704SOL HW2 6685 1.321 3.285 6.382 2.7064 -0.7097 0.7252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6688 1705SOL OW 6686 1.513 3.634 5.931 -0.2379 -0.3395 -0.4681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6689 1705SOL HW1 6687 1.584 3.577 5.889 -0.4123 -0.1464 -1.0301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6690 1705SOL HW2 6688 1.502 3.608 6.027 0.2872 -0.6657 -0.4940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6691 1706SOL OW 6689 0.714 2.736 5.842 0.5147 -1.0169 -0.0815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6692 1706SOL HW1 6690 0.713 2.692 5.752 -2.1814 0.0590 -0.6716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6693 1706SOL HW2 6691 0.621 2.739 5.879 0.8822 2.1940 0.9023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6694 1707SOL OW 6692 1.206 2.338 6.315 0.9477 -0.5400 0.1021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6695 1707SOL HW1 6693 1.222 2.346 6.413 -0.3075 -0.8196 0.3482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6696 1707SOL HW2 6694 1.165 2.249 6.295 -2.3268 0.8776 -0.1289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6697 1708SOL OW 6695 1.648 3.475 5.775 -0.0921 0.2521 0.7650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6698 1708SOL HW1 6696 1.730 3.530 5.786 -0.1686 0.1456 2.1340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6699 1708SOL HW2 6697 1.648 3.431 5.685 1.1393 0.5772 0.5940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6700 1709SOL OW 6698 0.933 2.417 6.918 0.1354 0.0600 -0.1597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6701 1709SOL HW1 6699 0.890 2.401 7.007 0.6243 0.6956 0.2010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6702 1709SOL HW2 6700 0.866 2.400 6.845 -0.3152 -0.3088 0.3343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6703 1710SOL OW 6701 0.867 2.637 7.125 -0.4159 -0.0917 -0.7759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6704 1710SOL HW1 6702 0.792 2.605 7.067 -0.9147 0.1188 -0.2623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6705 1710SOL HW2 6703 0.897 2.727 7.094 -0.1534 -0.3198 -1.1845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6706 1711SOL OW 6704 0.956 2.370 6.559 -0.1670 -0.0070 -0.1133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6707 1711SOL HW1 6705 0.902 2.450 6.531 -0.6655 -0.9100 -1.9032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6708 1711SOL HW2 6706 0.914 2.287 6.521 -0.2623 -1.2782 2.5423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6709 1712SOL OW 6707 1.097 2.488 5.837 -1.1767 -0.3445 0.1174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6710 1712SOL HW1 6708 1.162 2.533 5.898 -0.6027 -1.0370 0.0398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6711 1712SOL HW2 6709 1.007 2.485 5.880 -0.7553 -0.9241 1.0000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6712 1713SOL OW 6710 0.020 2.602 6.180 0.7814 0.0311 -0.1204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6713 1713SOL HW1 6711 0.088 2.639 6.244 2.4057 -0.6332 -1.3861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6714 1713SOL HW2 6712 -0.052 2.556 6.231 1.3900 0.5789 1.2823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6715 1714SOL OW 6713 7.235 3.748 7.064 -1.0663 0.1827 -0.4587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6716 1714SOL HW1 6714 7.263 3.733 7.158 0.1938 2.9173 -0.3118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6717 1714SOL HW2 6715 7.194 3.664 7.028 -0.6359 -1.2524 2.1460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6718 1715SOL OW 6716 0.890 2.202 5.575 0.2027 -0.3116 0.0337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6719 1715SOL HW1 6717 0.987 2.227 5.582 0.3494 -1.0572 0.7278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6720 1715SOL HW2 6718 0.879 2.105 5.596 -0.9097 0.1413 1.6605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6721 1716SOL OW 6719 1.516 3.149 6.072 -0.0302 0.0196 -0.1230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6722 1716SOL HW1 6720 1.599 3.103 6.038 0.9206 1.7656 -0.2910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6723 1716SOL HW2 6721 1.488 3.219 6.007 -0.3725 0.9151 0.9639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6724 1717SOL OW 6722 0.375 2.021 6.420 -0.1107 0.1684 -0.2635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6725 1717SOL HW1 6723 0.417 1.989 6.505 0.0151 0.7014 -0.1230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6726 1717SOL HW2 6724 0.446 2.034 6.351 -0.1384 0.3406 -0.2592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6727 1718SOL OW 6725 0.835 3.457 5.971 -0.0991 0.6093 -0.2575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6728 1718SOL HW1 6726 0.781 3.511 5.906 1.1289 0.8822 -1.0815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6729 1718SOL HW2 6727 0.801 3.473 6.064 -0.5303 1.8806 -0.6102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6730 1719SOL OW 6728 0.265 3.515 6.581 0.4404 -0.2470 -0.4664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6731 1719SOL HW1 6729 0.276 3.417 6.598 2.0485 0.3012 2.3763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6732 1719SOL HW2 6730 0.352 3.554 6.551 0.0135 0.4350 -0.8447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6733 1720SOL OW 6731 1.789 2.992 6.517 -0.3938 -0.0034 0.2787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6734 1720SOL HW1 6732 1.757 3.028 6.430 3.3632 2.9869 -0.1302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6735 1720SOL HW2 6733 1.740 3.039 6.592 -1.7144 -0.5960 -0.1866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6736 1721SOL OW 6734 0.996 3.234 7.116 -0.3963 0.0269 0.6676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6737 1721SOL HW1 6735 0.928 3.167 7.146 0.1133 -1.0066 -0.3542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6738 1721SOL HW2 6736 0.952 3.321 7.098 -1.5734 -0.7677 -0.4902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6739 1722SOL OW 6737 0.436 2.796 5.923 -0.3176 0.1482 -0.5098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6740 1722SOL HW1 6738 0.370 2.863 5.954 -0.5104 -0.6680 0.9379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6741 1722SOL HW2 6739 0.397 2.704 5.932 0.8839 -0.3239 0.0952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6742 1723SOL OW 6740 1.570 2.856 6.168 0.1390 0.2348 0.0425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6743 1723SOL HW1 6741 1.533 2.790 6.233 0.1027 -0.6261 -0.8246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6744 1723SOL HW2 6742 1.620 2.927 6.217 0.0930 -0.3766 1.0046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6745 1724SOL OW 6743 0.509 3.280 0.049 -0.5661 -0.2127 -0.1834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6746 1724SOL HW1 6744 0.527 3.370 0.010 -0.1690 -0.6707 -1.0861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6747 1724SOL HW2 6745 0.504 3.212 -0.024 -0.8925 -0.9316 0.4906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6748 1725SOL OW 6746 0.940 3.566 5.592 0.3080 -0.1893 0.3816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6749 1725SOL HW1 6747 0.876 3.581 5.667 0.3257 -0.8655 0.5371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6750 1725SOL HW2 6748 0.950 3.468 5.575 0.7401 -0.0642 -0.1283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6751 1726SOL OW 6749 0.136 2.166 6.754 0.0468 -0.2352 -0.5335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6752 1726SOL HW1 6750 0.048 2.152 6.800 -0.0445 0.2423 -0.5501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6753 1726SOL HW2 6751 0.119 2.210 6.665 0.2935 -0.2689 -0.5967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6754 1727SOL OW 6752 1.699 3.354 5.496 -0.4135 0.0037 -0.4539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6755 1727SOL HW1 6753 1.656 3.434 5.455 -1.9171 -0.3109 0.4139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6756 1727SOL HW2 6754 1.708 3.282 5.428 -1.2518 0.0984 -0.6776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6757 1728SOL OW 6755 0.355 3.686 5.676 -0.1359 0.0122 -0.3190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6758 1728SOL HW1 6756 0.335 3.657 5.770 -0.8648 0.6168 -0.2778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6759 1728SOL HW2 6757 0.425 3.626 5.637 1.4392 0.7584 1.1871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6760 1729SOL OW 6758 1.521 2.078 6.116 0.2329 -0.3952 0.3216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6761 1729SOL HW1 6759 1.478 2.163 6.086 -0.2233 0.0319 2.0647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6762 1729SOL HW2 6760 1.599 2.057 6.056 0.2266 1.1289 -0.2691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6763 1730SOL OW 6761 0.303 3.578 6.954 -0.6680 -0.2058 -0.0419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6764 1730SOL HW1 6762 0.288 3.480 6.939 -0.0162 -0.2032 -0.7429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6765 1730SOL HW2 6763 0.284 3.599 7.050 -1.9020 -0.8035 -0.1343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6766 1731SOL OW 6764 0.875 3.485 6.390 -0.4905 0.2214 -0.2108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6767 1731SOL HW1 6765 0.943 3.535 6.337 0.0855 -0.0972 0.2195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6768 1731SOL HW2 6766 0.902 3.389 6.396 -0.0929 0.4069 1.3653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6769 1732SOL OW 6767 0.410 2.531 5.988 0.2781 -0.2050 0.4195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6770 1732SOL HW1 6768 0.418 2.450 5.930 1.6924 -1.9752 2.9274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6771 1732SOL HW2 6769 0.355 2.510 6.068 0.4177 1.4189 0.9763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6772 1733SOL OW 6770 0.618 1.869 5.641 0.5007 -0.1367 -1.0289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6773 1733SOL HW1 6771 0.594 1.772 5.645 1.3691 -0.3843 -1.5492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6774 1733SOL HW2 6772 0.564 1.914 5.569 0.1548 -0.2486 -0.8406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6775 1734SOL OW 6773 0.408 2.112 7.114 0.1144 0.2408 0.4667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6776 1734SOL HW1 6774 0.402 2.184 7.183 0.5264 1.7710 -1.0100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6777 1734SOL HW2 6775 0.504 2.083 7.105 0.0492 -0.0139 0.6052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6778 1735SOL OW 6776 0.792 3.346 6.823 -0.3569 0.0415 0.1584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6779 1735SOL HW1 6777 0.776 3.431 6.773 0.4637 -0.0802 -0.3314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6780 1735SOL HW2 6778 0.868 3.297 6.781 -1.4799 -1.4382 -0.2114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6781 1736SOL OW 6779 1.337 2.311 7.024 0.7924 -0.0726 0.3860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6782 1736SOL HW1 6780 1.301 2.401 7.048 -2.3870 -1.4396 1.2098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6783 1736SOL HW2 6781 1.399 2.279 7.097 -2.1845 -0.6514 2.8615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6784 1737SOL OW 6782 0.713 3.046 6.397 -0.2289 0.4322 -0.0905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6785 1737SOL HW1 6783 0.664 3.026 6.312 -3.5066 0.9179 1.5351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6786 1737SOL HW2 6784 0.648 3.049 6.473 2.7749 -2.3678 2.9396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6787 1738SOL OW 6785 0.628 2.312 6.386 -0.3511 0.8235 -0.0570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6788 1738SOL HW1 6786 0.692 2.322 6.309 -0.5768 0.6985 -0.2595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6789 1738SOL HW2 6787 0.666 2.247 6.452 -0.5774 0.2439 -0.4978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6790 1739SOL OW 6788 0.550 1.784 6.138 -0.4292 0.2179 -0.0874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6791 1739SOL HW1 6789 0.464 1.765 6.090 -0.2815 -0.9649 0.0914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6792 1739SOL HW2 6790 0.543 1.873 6.184 -1.0984 0.7006 -1.0873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6793 1740SOL OW 6791 1.389 3.216 5.589 0.5580 -0.8262 0.2187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6794 1740SOL HW1 6792 1.469 3.179 5.636 0.6969 0.8365 1.3632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6795 1740SOL HW2 6793 1.306 3.190 5.638 0.3722 -2.2857 -0.7946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6796 1741SOL OW 6794 0.108 1.909 5.636 -0.1884 -0.0678 0.2797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6797 1741SOL HW1 6795 0.115 1.956 5.548 1.8438 -1.1516 -0.1804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6798 1741SOL HW2 6796 0.167 1.828 5.637 -1.5598 -1.1395 2.0039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6799 1742SOL OW 6797 0.773 2.075 5.908 0.1805 -0.5838 -0.2273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6800 1742SOL HW1 6798 0.731 2.072 5.817 -1.9230 0.7309 0.5998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6801 1742SOL HW2 6799 0.866 2.110 5.901 -0.4673 1.0158 -1.7840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6802 1743SOL OW 6800 0.992 2.658 6.803 -0.2223 -0.4661 -0.4295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6803 1743SOL HW1 6801 0.938 2.586 6.847 0.0506 -0.2813 0.2198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6804 1743SOL HW2 6802 1.090 2.636 6.813 -0.1126 0.3263 0.3665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6805 1744SOL OW 6803 1.055 3.624 6.241 0.4270 -0.3042 0.0248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6806 1744SOL HW1 6804 1.083 3.568 6.163 -0.7371 0.7381 -1.1961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6807 1744SOL HW2 6805 1.119 3.701 6.250 0.4330 -0.2988 -0.0616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6808 1745SOL OW 6806 0.468 3.130 6.041 0.7109 -0.1906 -0.0737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6809 1745SOL HW1 6807 0.399 3.061 6.020 1.5344 -1.6620 1.8153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6810 1745SOL HW2 6808 0.489 3.182 5.958 -1.4019 -0.8213 -1.0774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6811 1746SOL OW 6809 1.112 3.491 6.017 0.5260 0.3447 -0.0909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6812 1746SOL HW1 6810 1.146 3.570 5.966 0.0328 0.5798 -0.0580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6813 1746SOL HW2 6811 1.025 3.461 5.977 0.8082 -0.2990 -0.2242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6814 1747SOL OW 6812 1.230 2.386 5.399 0.0155 -0.5776 0.1443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6815 1747SOL HW1 6813 1.166 2.449 5.354 0.8416 1.2028 1.3250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6816 1747SOL HW2 6814 1.191 2.357 5.486 0.4320 -0.1764 0.4682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6817 1748SOL OW 6815 7.222 2.612 6.785 -0.6172 0.0662 -0.2632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6818 1748SOL HW1 6816 7.291 2.671 6.828 2.0568 -2.3390 -0.9617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6819 1748SOL HW2 6817 7.162 2.575 6.856 0.4690 0.2061 0.7766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6820 1749SOL OW 6818 0.572 1.983 6.673 0.4221 0.2859 0.4316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6821 1749SOL HW1 6819 0.626 1.927 6.735 -0.4110 -0.9063 0.1052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6822 1749SOL HW2 6820 0.479 1.994 6.709 -0.0750 -0.4344 -0.5806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6823 1750SOL OW 6821 0.788 2.295 6.149 0.0507 -0.3189 0.2309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6824 1750SOL HW1 6822 0.804 2.377 6.093 -0.9082 0.4539 1.0661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6825 1750SOL HW2 6823 0.834 2.217 6.106 1.1295 0.6723 -0.4960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6826 1751SOL OW 6824 1.114 2.023 6.270 -0.2249 0.0892 0.0167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6827 1751SOL HW1 6825 1.202 1.980 6.249 -0.0324 -0.0530 1.0689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6828 1751SOL HW2 6826 1.071 1.975 6.346 -0.5011 1.0998 0.5116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6829 1752SOL OW 6827 1.303 3.139 6.271 0.1384 -0.1679 -0.1196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6830 1752SOL HW1 6828 1.242 3.064 6.247 0.9551 -0.8539 -0.1158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6831 1752SOL HW2 6829 1.370 3.153 6.199 0.8448 -0.3590 0.4855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6832 1753SOL OW 6830 1.509 2.468 6.502 0.4019 -0.2974 -0.0053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6833 1753SOL HW1 6831 1.458 2.433 6.581 1.1965 2.2625 1.7416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6834 1753SOL HW2 6832 1.603 2.489 6.530 0.4003 1.6440 -1.3532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6835 1754SOL OW 6833 1.933 2.598 5.931 0.3146 0.6513 -0.2385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6836 1754SOL HW1 6834 1.961 2.528 5.997 -2.6222 -0.9644 -0.5404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6837 1754SOL HW2 6835 1.951 2.565 5.839 -0.6987 0.4145 -0.3668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6838 1755SOL OW 6836 0.495 3.180 5.628 0.9598 -0.2001 0.5610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6839 1755SOL HW1 6837 0.503 3.244 5.705 0.0594 0.1138 0.4086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6840 1755SOL HW2 6838 0.498 3.086 5.662 -1.3082 -0.0892 1.2467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6841 1756SOL OW 6839 1.915 3.349 6.174 0.6463 0.6550 0.7053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6842 1756SOL HW1 6840 1.973 3.271 6.197 0.0697 0.2959 0.9659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6843 1756SOL HW2 6841 1.874 3.386 6.257 -0.1022 0.4221 0.4444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6844 1757SOL OW 6842 1.394 2.465 5.628 0.3488 0.0638 0.4257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6845 1757SOL HW1 6843 1.405 2.393 5.560 1.5124 0.0300 0.6278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6846 1757SOL HW2 6844 1.429 2.433 5.716 -1.0781 0.1277 1.0449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6847 1758SOL OW 6845 0.688 2.373 5.716 -0.5042 -0.2755 0.2995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6848 1758SOL HW1 6846 0.768 2.323 5.684 -0.8064 -1.0565 0.7589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6849 1758SOL HW2 6847 0.669 2.449 5.653 0.4602 -0.2127 0.0713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6850 1759SOL OW 6848 1.632 3.127 7.010 -0.8677 0.3694 0.5623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6851 1759SOL HW1 6849 1.729 3.121 7.032 -0.6475 -1.7221 -0.6357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6852 1759SOL HW2 6850 1.609 3.221 6.986 0.9595 0.8400 0.4983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6853 1760SOL OW 6851 1.049 2.972 6.760 -0.4856 0.0629 0.0399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6854 1760SOL HW1 6852 0.965 2.958 6.811 -1.0362 0.3811 -0.7670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6855 1760SOL HW2 6853 1.098 2.885 6.752 -0.3216 0.0270 1.1956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6856 1761SOL OW 6854 1.022 3.223 6.667 -0.1014 -0.5893 0.0071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6857 1761SOL HW1 6855 1.057 3.135 6.699 -1.4158 -1.6840 -1.3873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6858 1761SOL HW2 6856 1.007 3.218 6.568 -1.4225 0.7865 0.1085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6859 1762SOL OW 6857 1.562 3.135 6.669 0.5311 -0.2468 0.2448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6860 1762SOL HW1 6858 1.534 3.162 6.761 1.6349 0.1847 0.4652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6861 1762SOL HW2 6859 1.490 3.079 6.627 0.0271 -0.4567 1.3669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6862 1763SOL OW 6860 0.971 2.035 6.735 0.4339 0.0449 -1.0516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6863 1763SOL HW1 6861 1.029 1.964 6.695 1.2653 0.7208 -1.0646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6864 1763SOL HW2 6862 1.027 2.099 6.788 -0.5257 -0.2599 0.3793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6865 1764SOL OW 6863 0.787 2.947 6.014 0.0308 -0.0450 0.1538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6866 1764SOL HW1 6864 0.800 3.038 5.974 -0.5571 0.6608 1.4774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6867 1764SOL HW2 6865 0.782 2.879 5.942 -0.0478 1.0505 -0.9027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6868 1765SOL OW 6866 0.459 2.727 6.786 -0.6486 0.8696 -0.3782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6869 1765SOL HW1 6867 0.538 2.781 6.818 -0.2699 0.4335 -0.5639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6870 1765SOL HW2 6868 0.492 2.647 6.737 -1.1619 -0.7258 1.7606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6871 1766SOL OW 6869 1.209 2.375 6.643 -0.4407 -0.4962 -0.2509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6872 1766SOL HW1 6870 1.213 2.456 6.702 1.6397 0.0781 -1.1126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6873 1766SOL HW2 6871 1.113 2.355 6.621 -1.0589 1.1086 0.7933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6874 1767SOL OW 6872 0.030 3.357 7.038 0.7635 -0.5386 0.0070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6875 1767SOL HW1 6873 -0.023 3.434 7.003 3.1045 2.1743 1.9413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6876 1767SOL HW2 6874 0.103 3.336 6.973 0.4537 -0.7378 -0.2767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6877 1768SOL OW 6875 0.226 2.976 6.013 -0.1561 0.3737 0.1414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6878 1768SOL HW1 6876 0.186 3.032 5.940 -1.1311 0.3823 0.6681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6879 1768SOL HW2 6877 0.155 2.920 6.056 0.8010 -1.3846 -0.4423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6880 1769SOL OW 6878 0.535 2.050 6.200 0.2032 -0.4464 0.0102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6881 1769SOL HW1 6879 0.621 2.097 6.218 0.3948 -0.9483 0.4270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6882 1769SOL HW2 6880 0.471 2.113 6.156 0.3539 0.2933 0.8277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6883 1770SOL OW 6881 1.073 3.209 5.999 0.1797 0.4827 -0.3829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6884 1770SOL HW1 6882 1.084 3.151 6.079 -0.2012 0.5525 -0.2753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6885 1770SOL HW2 6883 1.099 3.303 6.022 0.5512 0.4062 -0.4851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6886 1771SOL OW 6884 1.273 3.350 6.691 0.6775 -0.4551 0.2712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6887 1771SOL HW1 6885 1.349 3.317 6.746 -0.2241 0.0981 1.9132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6888 1771SOL HW2 6886 1.193 3.292 6.706 0.7911 -1.1878 -1.6358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6889 1772SOL OW 6887 1.638 2.674 5.920 0.2183 -0.1911 0.1559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6890 1772SOL HW1 6888 1.607 2.729 5.998 -1.4386 -2.1842 1.0053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6891 1772SOL HW2 6889 1.736 2.655 5.930 -0.1288 -1.1693 2.3066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6892 1773SOL OW 6890 0.266 3.323 6.856 0.1869 0.1310 0.0304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6893 1773SOL HW1 6891 0.232 3.311 6.762 -0.0664 4.8110 -0.6822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6894 1773SOL HW2 6892 0.363 3.296 6.860 0.4103 0.5239 -1.7975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6895 1774SOL OW 6893 0.345 2.496 7.086 -0.5439 -0.2737 -0.5023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6896 1774SOL HW1 6894 0.434 2.541 7.082 -0.5590 0.3892 3.1623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6897 1774SOL HW2 6895 0.340 2.426 7.015 1.6913 1.6229 -2.7025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6898 1775SOL OW 6896 1.581 2.574 7.162 -0.4555 0.8452 -0.6599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6899 1775SOL HW1 6897 1.571 2.662 7.208 2.0719 0.8187 0.0929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6900 1775SOL HW2 6898 1.541 2.580 7.071 1.1827 3.3986 -1.3345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6901 1776SOL OW 6899 0.383 2.871 6.528 0.0620 -0.2352 -0.2900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6902 1776SOL HW1 6900 0.430 2.931 6.592 0.8112 0.9384 -1.8586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6903 1776SOL HW2 6901 0.312 2.819 6.576 -0.0907 1.3338 1.2741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6904 1777SOL OW 6902 1.412 2.716 6.401 -0.4432 0.1578 1.0711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6905 1777SOL HW1 6903 1.313 2.700 6.398 -0.4857 0.4982 0.0329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6906 1777SOL HW2 6904 1.459 2.632 6.426 -0.9259 -0.3556 0.3033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6907 1778SOL OW 6905 1.133 2.276 5.640 -0.0482 0.2917 0.0996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6908 1778SOL HW1 6906 1.169 2.185 5.656 1.8478 0.7342 -1.2406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6909 1778SOL HW2 6907 1.133 2.328 5.726 -0.0882 -0.6014 0.6480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6910 1779SOL OW 6908 0.315 1.933 6.735 0.1721 0.0102 0.0094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6911 1779SOL HW1 6909 0.249 2.008 6.735 0.0445 -0.0997 -0.4132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6912 1779SOL HW2 6910 0.283 1.860 6.796 -0.8352 -0.6779 -1.2960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6913 1780SOL OW 6911 7.245 3.122 6.853 0.4528 -0.1887 -0.0165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6914 1780SOL HW1 6912 7.158 3.162 6.879 0.4752 1.0870 -1.7137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6915 1780SOL HW2 6913 7.282 3.068 6.929 -1.9114 -0.9884 0.6265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6916 1781SOL OW 6914 0.752 2.528 6.456 0.0418 0.4107 -0.2600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6917 1781SOL HW1 6915 0.690 2.451 6.449 2.1141 -1.4091 0.2062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6918 1781SOL HW2 6916 0.716 2.605 6.404 -2.5633 -0.5112 0.0347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6919 1782SOL OW 6917 0.150 1.957 6.132 -0.5173 0.4479 0.3974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6920 1782SOL HW1 6918 0.158 2.051 6.165 -0.6795 1.2578 -1.6895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6921 1782SOL HW2 6919 0.159 1.893 6.209 -0.2566 2.1451 1.8390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6922 1783SOL OW 6920 1.506 2.432 5.868 0.2955 -0.1059 0.0739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6923 1783SOL HW1 6921 1.448 2.418 5.948 0.9167 -0.7979 0.4126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6924 1783SOL HW2 6922 1.561 2.515 5.881 0.5980 -0.3681 0.4935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6925 1784SOL OW 6923 1.157 2.649 6.262 0.0429 0.2900 -0.4235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6926 1784SOL HW1 6924 1.101 2.698 6.329 -0.4396 1.1163 -1.4067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6927 1784SOL HW2 6925 1.137 2.551 6.268 0.5933 0.2525 1.1599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6928 1785SOL OW 6926 1.739 3.474 7.073 -0.0522 -0.0998 -0.0093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6929 1785SOL HW1 6927 1.833 3.460 7.041 0.1284 -0.2995 0.5998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6930 1785SOL HW2 6928 1.733 3.454 7.171 -0.5046 0.9385 0.1902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6931 1786SOL OW 6929 1.556 2.179 5.767 0.0657 0.1767 0.4924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6932 1786SOL HW1 6930 1.495 2.120 5.820 1.2269 -1.4777 0.0812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6933 1786SOL HW2 6931 1.566 2.267 5.812 -1.0716 -0.2405 1.5920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6934 1787SOL OW 6932 1.322 2.745 5.618 0.7153 0.1796 -0.5637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6935 1787SOL HW1 6933 1.327 2.646 5.633 -2.6822 0.1841 1.7897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6936 1787SOL HW2 6934 1.326 2.764 5.520 -0.8158 -2.5564 -1.2618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6937 1788SOL OW 6935 0.939 3.214 6.370 -0.2633 -0.4363 0.1695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6938 1788SOL HW1 6936 0.984 3.148 6.310 -1.5483 -0.4588 -0.8390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6939 1788SOL HW2 6937 0.851 3.176 6.399 -1.1013 0.8726 -0.5705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6940 1789SOL OW 6938 0.212 2.633 6.378 0.2928 -0.2065 -0.1171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6941 1789SOL HW1 6939 0.269 2.702 6.333 -0.9324 0.6547 -0.4047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6942 1789SOL HW2 6940 0.265 2.550 6.392 1.1341 0.0002 -1.8450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6943 1790SOL OW 6941 0.347 2.403 6.416 -0.3754 0.4795 0.7240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6944 1790SOL HW1 6942 0.273 2.338 6.436 -1.5644 1.1324 -1.2287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6945 1790SOL HW2 6943 0.419 2.357 6.365 -0.1860 0.2001 1.2421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6946 1791SOL OW 6944 1.108 2.186 6.959 -0.3927 0.1219 0.4999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6947 1791SOL HW1 6945 1.055 2.264 6.923 -0.3075 -0.1808 -0.2933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6948 1791SOL HW2 6946 1.200 2.217 6.982 -0.7328 0.5297 1.3735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6949 1792SOL OW 6947 7.118 2.951 5.694 0.0359 -0.6344 -0.1437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6950 1792SOL HW1 6948 7.172 2.953 5.610 1.9679 2.2486 0.9960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6951 1792SOL HW2 6949 7.021 2.958 5.671 0.4307 -1.2060 -2.1518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6952 1793SOL OW 6950 0.158 3.459 6.324 0.0008 -0.1438 0.4092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6953 1793SOL HW1 6951 0.064 3.424 6.326 -0.2324 0.4919 0.6038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6954 1793SOL HW2 6952 0.195 3.459 6.417 -0.2654 0.8402 0.5191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6955 1794SOL OW 6953 0.555 3.295 6.474 -0.5726 0.1460 0.1717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6956 1794SOL HW1 6954 0.578 3.376 6.528 -1.6846 -0.5217 1.7153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6957 1794SOL HW2 6955 0.571 3.314 6.377 0.0905 1.8757 0.5820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6958 1795SOL OW 6956 0.864 2.721 6.585 0.1584 -0.4572 0.4528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6959 1795SOL HW1 6957 0.890 2.721 6.681 0.6880 1.6490 0.3639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6960 1795SOL HW2 6958 0.818 2.635 6.563 0.0161 -0.9883 2.5746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6961 1796SOL OW 6959 7.102 2.392 6.666 -0.8367 0.2087 0.2819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6962 1796SOL HW1 6960 7.078 2.335 6.744 0.7409 -1.3963 -0.3283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6963 1796SOL HW2 6961 7.172 2.459 6.693 0.0911 -0.6888 0.1677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6964 1797SOL OW 6962 0.838 2.474 5.925 -0.6900 -0.3002 0.1962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6965 1797SOL HW1 6963 0.776 2.457 5.848 -0.6144 1.0866 -0.2011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6966 1797SOL HW2 6964 0.818 2.563 5.965 0.9061 0.1040 0.1745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6967 1798SOL OW 6965 1.741 2.528 6.590 0.1914 -0.0540 -0.1403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6968 1798SOL HW1 6966 1.784 2.457 6.645 1.0174 -0.4617 -1.2807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6969 1798SOL HW2 6967 1.805 2.604 6.577 -0.4548 0.6191 0.5278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6970 1799SOL OW 6968 7.239 3.665 0.080 -0.2546 -0.4525 -0.5140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6971 1799SOL HW1 6969 7.181 3.584 0.079 -0.4090 -0.3348 -1.4288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6972 1799SOL HW2 6970 7.244 3.701 0.174 1.0687 -2.3904 0.2140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6973 1800SOL OW 6971 0.706 2.356 6.782 0.2581 -0.7378 0.6560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6974 1800SOL HW1 6972 0.747 2.294 6.714 1.7392 0.8395 0.0186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6975 1800SOL HW2 6973 0.618 2.390 6.748 0.2476 -1.1790 0.2348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6976 1801SOL OW 6974 0.816 3.421 7.091 0.5187 0.0060 -0.3635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6977 1801SOL HW1 6975 0.756 3.381 7.022 -1.9632 1.2870 0.9058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6978 1801SOL HW2 6976 0.800 3.520 7.096 -0.1585 -0.1359 2.6182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6979 1802SOL OW 6977 7.250 2.267 5.599 -0.9784 -0.1344 -0.0257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6980 1802SOL HW1 6978 7.218 2.311 5.515 -0.0570 -0.8831 -0.7877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6981 1802SOL HW2 6979 7.230 2.326 5.677 -1.1435 0.9235 -0.8504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6982 1803SOL OW 6980 0.061 2.897 7.055 0.0888 -0.4181 -0.3508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6983 1803SOL HW1 6981 0.108 2.951 7.125 -1.0889 0.4072 -0.1620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6984 1803SOL HW2 6982 0.125 2.832 7.014 0.8838 -0.6858 1.2519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6985 1804SOL OW 6983 1.385 2.973 6.487 -0.5110 0.3152 -0.1835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6986 1804SOL HW1 6984 1.400 2.882 6.447 -1.1549 0.3381 -0.4821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6987 1804SOL HW2 6985 1.359 3.037 6.415 -1.6449 0.3705 0.2622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6988 1805SOL OW 6986 1.584 2.804 5.683 0.0379 0.0475 -0.3729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6989 1805SOL HW1 6987 1.599 2.747 5.764 -0.4815 1.0196 0.4456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6990 1805SOL HW2 6988 1.487 2.800 5.658 -0.1067 0.9525 0.0111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6991 1806SOL OW 6989 2.087 3.404 6.506 0.0963 0.0464 0.0076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6992 1806SOL HW1 6990 2.137 3.350 6.438 1.0294 2.2103 -1.1216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6993 1806SOL HW2 6991 1.997 3.428 6.469 -0.6236 -1.2805 0.8112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6994 1807SOL OW 6992 1.181 3.668 6.525 -0.1353 0.7020 -0.7126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6995 1807SOL HW1 6993 1.217 3.689 6.433 0.7281 1.5929 -0.1918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6996 1807SOL HW2 6994 1.193 3.571 6.544 -1.7081 0.1941 -2.1251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6997 1808SOL OW 6995 0.051 3.045 6.606 -0.6698 -0.2688 0.1022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6998 1808SOL HW1 6996 0.018 3.071 6.697 -1.2891 -1.1780 0.1530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
6999 1808SOL HW2 6997 0.085 2.951 6.608 2.6712 0.8202 0.2234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7000 1809SOL OW 6998 1.933 2.216 5.784 -0.1138 0.3916 -0.2963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7001 1809SOL HW1 6999 1.978 2.130 5.759 1.4038 1.0489 0.0639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7002 1809SOL HW2 7000 1.853 2.197 5.841 -1.3199 -0.9144 -2.2961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7003 1810SOL OW 7001 1.439 3.342 5.908 -0.0703 -0.2362 -0.7288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7004 1810SOL HW1 7002 1.507 3.403 5.868 -0.3200 0.3663 -0.2433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7005 1810SOL HW2 7003 1.362 3.333 5.845 0.5359 -1.0984 -1.3821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7006 1811SOL OW 7004 1.379 2.896 5.984 -0.1496 -0.1253 -0.2137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7007 1811SOL HW1 7005 1.444 2.879 6.058 -0.8920 -1.1222 0.2340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7008 1811SOL HW2 7006 1.405 2.979 5.935 1.5827 -0.6045 -0.1749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7009 1812SOL OW 7007 0.837 2.973 7.192 0.4927 -0.1360 0.2631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7010 1812SOL HW1 7008 0.930 2.953 7.225 0.1314 0.0597 1.4748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7011 1812SOL HW2 7009 0.774 2.973 7.270 -0.6022 -0.6714 -0.6051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7012 1813SOL OW 7010 0.542 3.527 5.572 -0.2715 0.0743 -0.1138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7013 1813SOL HW1 7011 0.587 3.513 5.484 0.4121 -0.5031 0.3175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7014 1813SOL HW2 7012 0.509 3.440 5.606 1.9443 -0.2280 1.4961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7015 1814SOL OW 7013 1.508 3.391 6.912 -0.5651 -0.0139 0.3269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7016 1814SOL HW1 7014 1.592 3.418 6.960 -0.6189 1.0224 -0.1396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7017 1814SOL HW2 7015 1.445 3.468 6.909 0.0851 0.5737 -2.7985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7018 1815SOL OW 7016 1.859 2.089 6.499 0.4771 -0.2974 -0.5785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7019 1815SOL HW1 7017 1.899 2.000 6.480 0.5487 0.0110 -1.9887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7020 1815SOL HW2 7018 1.761 2.087 6.480 0.0218 -0.6699 1.5494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7021 1816SOL OW 7019 0.356 2.216 6.081 -0.4092 -0.3892 -0.2880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7022 1816SOL HW1 7020 0.268 2.263 6.087 -0.0849 0.2921 -0.7243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7023 1816SOL HW2 7021 0.401 2.241 5.995 1.4735 1.5529 1.1432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7024 1817SOL OW 7022 0.972 3.299 5.569 0.3939 -0.0728 0.0631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7025 1817SOL HW1 7023 1.051 3.270 5.622 0.2865 0.5348 0.5656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7026 1817SOL HW2 7024 0.949 3.228 5.502 -0.6677 -1.7897 2.1107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7027 1818SOL OW 7025 0.675 2.915 6.998 0.4797 0.2849 -0.0659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7028 1818SOL HW1 7026 0.715 2.934 6.909 0.7724 0.4592 0.1012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7029 1818SOL HW2 7027 0.746 2.923 7.069 0.2595 0.1082 0.1758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7030 1819SOL OW 7028 1.020 2.675 5.616 -0.0267 -0.2485 -0.0362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7031 1819SOL HW1 7029 1.037 2.765 5.657 -0.5551 -0.4535 0.6564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7032 1819SOL HW2 7030 1.030 2.604 5.686 -0.3504 -0.6602 -0.4032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7033 1820SOL OW 7031 1.350 3.477 5.497 -0.2750 -0.4030 0.0707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7034 1820SOL HW1 7032 1.383 3.392 5.538 -1.1933 -1.4790 -1.3250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7035 1820SOL HW2 7033 1.412 3.505 5.424 -0.6895 -0.6400 -0.3796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7036 1821SOL OW 7034 7.235 3.168 7.211 0.1497 -0.4574 -0.4285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7037 1821SOL HW1 7035 7.261 3.234 7.140 -1.9763 0.8598 -0.0528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7038 1821SOL HW2 7036 7.312 3.106 7.228 1.6318 0.8619 -1.9763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7039 1822SOL OW 7037 1.383 3.002 6.903 -0.4057 0.2772 0.2231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7040 1822SOL HW1 7038 1.465 3.028 6.954 -0.4121 0.0917 0.3299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7041 1822SOL HW2 7039 1.309 3.066 6.923 -0.9148 -0.7283 1.7563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7042 1823SOL OW 7040 1.039 3.009 6.191 -0.0495 -0.2871 -0.1047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7043 1823SOL HW1 7041 1.027 2.962 6.278 -0.7982 1.0984 0.5720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7044 1823SOL HW2 7042 0.982 2.965 6.122 -0.9464 -0.2244 0.5756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7045 1824SOL OW 7043 0.776 2.167 6.600 0.2724 -0.3785 -0.4752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7046 1824SOL HW1 7044 0.683 2.129 6.605 0.4959 -0.7588 1.3353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7047 1824SOL HW2 7045 0.840 2.103 6.642 1.0105 0.9170 0.4256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7048 1825SOL OW 7046 0.538 3.318 5.853 0.0606 0.0291 -0.0057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7049 1825SOL HW1 7047 0.531 3.410 5.890 -2.3643 -1.1129 2.7357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7050 1825SOL HW2 7048 0.629 3.281 5.872 -0.5622 0.0639 3.7335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7051 1826SOL OW 7049 1.878 2.352 6.749 -0.0292 -0.0138 -0.0475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7052 1826SOL HW1 7050 1.902 2.426 6.812 -1.2049 0.3045 0.0627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7053 1826SOL HW2 7051 1.834 2.278 6.800 -2.9203 1.1284 -0.6624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7054 1827SOL OW 7052 0.070 3.149 5.848 -0.3871 0.1422 0.0886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7055 1827SOL HW1 7053 -0.016 3.102 5.830 -0.4314 -0.0667 0.8393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7056 1827SOL HW2 7054 0.052 3.244 5.873 -0.4409 -0.0807 0.9004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7057 1828SOL OW 7055 0.223 3.007 7.251 0.8704 0.3126 -0.0992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7058 1828SOL HW1 7056 0.207 3.019 7.349 2.2180 0.5713 0.1215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7059 1828SOL HW2 7057 0.322 2.998 7.235 0.5628 -1.5888 -1.2334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7060 1829SOL OW 7058 0.778 1.855 6.808 -0.6471 0.0487 -0.6245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7061 1829SOL HW1 7059 0.866 1.899 6.791 0.5021 -2.1576 -0.8423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7062 1829SOL HW2 7060 0.783 1.804 6.894 -1.2174 -1.1981 -1.2991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7063 1830SOL OW 7061 6.670 2.033 5.557 0.4566 -0.0050 0.8933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7064 1830SOL HW1 7062 6.726 2.017 5.638 -2.2534 -2.5826 2.4588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7065 1830SOL HW2 7063 6.676 1.953 5.497 0.9515 1.0812 -0.5455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7066 1831SOL OW 7064 1.246 2.589 6.800 -0.3038 0.1251 0.5612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7067 1831SOL HW1 7065 1.269 2.679 6.764 -2.4930 0.3911 -0.3520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7068 1831SOL HW2 7066 1.258 2.588 6.899 3.4067 0.1638 0.2409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7069 1832SOL OW 7067 0.003 1.953 5.889 -0.5565 1.0305 0.7388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7070 1832SOL HW1 7068 0.060 1.917 5.815 -0.4931 1.5615 0.5308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7071 1832SOL HW2 7069 0.060 1.967 5.971 -0.6629 0.2687 0.9523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7072 1833SOL OW 7070 1.157 3.179 5.753 0.0977 -0.5041 0.0350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7073 1833SOL HW1 7071 1.149 3.082 5.730 -2.7250 0.0217 -1.8267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7074 1833SOL HW2 7072 1.139 3.192 5.850 1.0547 -1.8751 0.4193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7075 1834SOL OW 7073 0.556 2.641 7.079 0.1248 0.2423 -0.2981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7076 1834SOL HW1 7074 0.563 2.739 7.060 1.4262 0.4575 1.0763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7077 1834SOL HW2 7075 0.566 2.626 7.178 0.3718 -1.3195 -0.5383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7078 1835SOL OW 7076 1.298 3.748 6.295 -0.1943 0.2110 0.1596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7079 1835SOL HW1 7077 1.355 3.828 6.275 0.8632 -0.3478 0.8193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7080 1835SOL HW2 7078 1.346 3.665 6.267 0.7873 -0.5184 3.5432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7081 1836SOL OW 7079 0.594 2.474 0.051 -0.5000 -0.4094 0.7868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7082 1836SOL HW1 7080 0.611 2.508 0.144 -0.9034 0.1180 0.6654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7083 1836SOL HW2 7081 0.536 2.393 0.056 -0.7682 -0.2082 0.9789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7084 1837SOL OW 7082 0.280 3.649 7.238 0.2703 0.3168 -0.4078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7085 1837SOL HW1 7083 0.254 3.746 7.243 0.1104 0.2632 -0.1783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7086 1837SOL HW2 7084 0.233 3.598 7.310 0.8619 0.1797 -0.1191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7087 1838SOL OW 7085 1.613 2.748 6.715 -0.4501 0.4399 -0.3341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7088 1838SOL HW1 7086 1.699 2.698 6.702 0.1324 1.4312 -0.3841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7089 1838SOL HW2 7087 1.608 2.823 6.649 -0.8562 1.0310 0.3606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7090 1839SOL OW 7088 1.039 2.199 5.902 -0.1727 0.4453 0.0307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7091 1839SOL HW1 7089 1.107 2.166 5.967 -1.7391 -1.5536 0.7715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7092 1839SOL HW2 7090 1.062 2.291 5.872 3.2416 -0.4186 -0.3362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7093 1840SOL OW 7091 0.376 2.774 6.216 -0.5232 -0.1315 0.1249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7094 1840SOL HW1 7092 0.450 2.804 6.277 -0.0099 1.5479 -1.2356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7095 1840SOL HW2 7093 0.413 2.753 6.126 -1.4096 -1.6221 0.0712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7096 1841SOL OW 7094 1.477 2.747 6.951 0.1544 -0.1606 0.1996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7097 1841SOL HW1 7095 1.439 2.839 6.950 0.1285 -0.1717 -0.1934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7098 1841SOL HW2 7096 1.523 2.729 6.864 -1.1000 -1.0474 -0.3129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7099 1842SOL OW 7097 0.777 3.205 5.856 -0.3752 -0.3356 0.5248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7100 1842SOL HW1 7098 0.825 3.278 5.905 -1.0842 2.2066 -2.2340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7101 1842SOL HW2 7099 0.838 3.168 5.785 -0.4606 -1.5610 1.0747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7102 1843SOL OW 7100 0.756 3.557 6.621 0.2456 0.3523 0.3058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7103 1843SOL HW1 7101 0.677 3.616 6.601 -1.4619 -1.5057 1.2583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7104 1843SOL HW2 7102 0.798 3.529 6.535 -0.1192 1.3705 -0.2247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7105 1844SOL OW 7103 1.013 2.871 6.421 0.1452 0.3374 0.0671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7106 1844SOL HW1 7104 0.940 2.823 6.468 0.1493 -0.5111 -0.7749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7107 1844SOL HW2 7105 1.067 2.923 6.488 -0.9797 0.6705 0.7361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7108 1845SOL OW 7106 1.132 2.914 5.692 0.1265 -0.7995 -0.5060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7109 1845SOL HW1 7107 1.086 2.953 5.612 0.9829 0.0972 -0.5860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7110 1845SOL HW2 7108 1.198 2.845 5.662 -0.0900 -1.0092 -0.5060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7111 1846SOL OW 7109 1.832 3.460 6.397 0.1359 -0.0576 -0.7478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7112 1846SOL HW1 7110 1.830 3.560 6.393 1.1524 -0.0568 -1.5304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7113 1846SOL HW2 7111 1.747 3.427 6.437 0.7387 1.2214 1.7754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7114 1847SOL OW 7112 0.002 3.077 6.301 -0.3530 -0.2330 -0.1867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7115 1847SOL HW1 7113 0.099 3.091 6.320 -0.5863 -0.8497 1.6731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7116 1847SOL HW2 7114 -0.010 2.989 6.254 -0.0292 -0.2649 -0.2115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7117 1848SOL OW 7115 0.786 3.270 0.074 0.6312 0.2511 -0.0397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7118 1848SOL HW1 7116 0.688 3.272 0.092 0.9703 3.7502 2.4955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7119 1848SOL HW2 7117 0.805 3.328 -0.006 0.6574 -0.3259 -0.4474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7120 1849SOL OW 7118 1.792 2.124 6.881 -0.6505 0.1424 -0.2980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7121 1849SOL HW1 7119 1.862 2.090 6.818 -0.5076 0.5515 -0.3658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7122 1849SOL HW2 7120 1.749 2.047 6.928 0.9877 -0.0662 0.9818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7123 1850SOL OW 7121 0.432 2.270 5.832 0.6165 0.4130 -0.2047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7124 1850SOL HW1 7122 0.523 2.264 5.793 0.3874 -0.7530 -0.5853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7125 1850SOL HW2 7123 0.364 2.247 5.762 0.0840 0.3176 0.3355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7126 1851SOL OW 7124 1.614 3.303 6.458 -0.2893 -0.2755 -0.0800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7127 1851SOL HW1 7125 1.520 3.337 6.454 -0.8834 -1.8107 0.1677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7128 1851SOL HW2 7126 1.622 3.237 6.533 2.1100 3.0447 2.9048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7129 1852SOL OW 7127 0.474 2.452 6.691 0.1195 -0.1408 -0.0998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7130 1852SOL HW1 7128 0.427 2.375 6.736 0.5872 -1.1058 -1.2031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7131 1852SOL HW2 7129 0.444 2.459 6.597 -1.4332 2.3769 0.5107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7132 1853SOL OW 7130 0.677 3.506 6.210 0.0067 0.1598 0.2207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7133 1853SOL HW1 7131 0.645 3.601 6.209 -0.5596 -0.0300 0.0741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7134 1853SOL HW2 7132 0.748 3.496 6.281 -0.2423 0.5861 0.5371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7135 1854SOL OW 7133 1.328 2.138 6.575 -0.1401 -0.4854 0.4720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7136 1854SOL HW1 7134 1.366 2.099 6.658 -0.3596 -1.0695 0.3013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7137 1854SOL HW2 7135 1.275 2.220 6.598 0.9936 0.1946 0.7372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7138 1855SOL OW 7136 1.163 1.848 6.656 0.2903 0.3280 0.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7139 1855SOL HW1 7137 1.112 1.822 6.575 -0.8778 -0.9804 1.1637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7140 1855SOL HW2 7138 1.261 1.843 6.638 0.0873 2.1430 -1.8519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7141 1856SOL OW 7139 0.596 2.975 6.190 0.1735 -0.3748 0.4245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7142 1856SOL HW1 7140 0.670 2.948 6.128 -1.1774 -0.0241 -1.4113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7143 1856SOL HW2 7141 0.531 3.033 6.142 -3.5518 -3.9209 0.5863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7144 1857SOL OW 7142 0.572 3.197 6.874 -0.3695 -0.3349 0.2898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7145 1857SOL HW1 7143 0.597 3.144 6.956 0.7233 -0.8745 -0.3691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7146 1857SOL HW2 7144 0.642 3.265 6.856 -0.0279 -0.9581 -0.8199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7147 1858SOL OW 7145 1.353 2.008 5.862 -0.0708 -0.9102 -0.1776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7148 1858SOL HW1 7146 1.430 1.953 5.894 -0.7898 -2.0699 -0.3456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7149 1858SOL HW2 7147 1.273 1.948 5.849 -0.4329 -0.1095 -1.9271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7150 1859SOL OW 7148 1.358 2.391 6.118 0.1167 0.1580 -0.2811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7151 1859SOL HW1 7149 1.316 2.469 6.072 1.0724 0.4268 -0.7353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7152 1859SOL HW2 7150 1.300 2.362 6.194 -0.7343 0.6832 -0.7078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7153 1860SOL OW 7151 1.591 2.099 6.463 0.1348 0.2255 0.0971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7154 1860SOL HW1 7152 1.502 2.096 6.508 0.6317 1.0723 1.1925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7155 1860SOL HW2 7153 1.591 2.171 6.393 0.0847 0.5416 0.4156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7156 1861SOL OW 7154 0.167 2.519 5.606 -0.0947 0.1463 -0.1293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7157 1861SOL HW1 7155 0.146 2.468 5.523 0.5687 -1.9780 0.9515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7158 1861SOL HW2 7156 0.085 2.525 5.662 -0.3547 0.9417 -0.5740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7159 1862SOL OW 7157 0.723 3.597 5.766 -0.2550 1.1269 0.0479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7160 1862SOL HW1 7158 0.658 3.577 5.693 -2.9249 -0.5109 2.6327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7161 1862SOL HW2 7159 0.703 3.687 5.805 1.8799 2.5076 -1.7564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7162 1863SOL OW 7160 0.029 4.387 0.200 0.7577 -0.0327 -0.1188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7163 1863SOL HW1 7161 0.040 4.377 0.299 0.0713 -1.4846 -0.1656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7164 1863SOL HW2 7162 0.011 4.484 0.178 -1.8359 -0.0450 1.5006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7165 1864SOL OW 7163 0.111 3.929 1.053 -0.4326 -0.5286 0.0891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7166 1864SOL HW1 7164 0.151 3.876 1.128 1.1607 -1.0229 -1.0586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7167 1864SOL HW2 7165 0.016 3.952 1.076 0.0736 -0.4576 2.3394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7168 1865SOL OW 7166 7.145 3.907 0.753 -0.3105 -0.2181 -0.0146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7169 1865SOL HW1 7167 7.186 3.820 0.726 0.9254 0.4939 -0.5320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7170 1865SOL HW2 7168 7.215 3.978 0.752 -1.6892 1.1891 -1.4828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7171 1866SOL OW 7169 0.350 4.593 0.993 0.5197 -0.1604 0.0334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7172 1866SOL HW1 7170 0.336 4.559 1.086 -0.9689 1.0158 0.2698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7173 1866SOL HW2 7171 0.369 4.691 0.996 -1.2097 0.2488 -0.9712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7174 1867SOL OW 7172 1.497 5.393 0.723 -0.3482 -0.3966 0.2520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7175 1867SOL HW1 7173 1.545 5.306 0.719 0.5985 0.1707 -1.7688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7176 1867SOL HW2 7174 1.429 5.398 0.650 -0.2942 0.6051 0.2534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7177 1868SOL OW 7175 1.406 4.448 0.847 0.9246 -0.4720 -0.2047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7178 1868SOL HW1 7176 1.434 4.505 0.769 2.8131 -0.0582 0.7210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7179 1868SOL HW2 7177 1.365 4.505 0.917 0.9799 -0.5645 -0.0973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7180 1869SOL OW 7178 1.978 4.490 0.118 -0.2459 0.0392 -0.1174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7181 1869SOL HW1 7179 1.895 4.467 0.066 1.4879 -1.2946 -2.4793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7182 1869SOL HW2 7180 1.974 4.445 0.207 -1.7937 -0.5016 -0.4170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7183 1870SOL OW 7181 0.607 4.536 0.939 -0.2493 -0.4069 0.1247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7184 1870SOL HW1 7182 0.511 4.562 0.953 -0.0434 1.2674 -1.1607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7185 1870SOL HW2 7183 0.666 4.613 0.963 0.7225 -1.1220 0.0929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7186 1871SOL OW 7184 0.956 4.411 1.743 -0.8262 -0.4356 -0.5921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7187 1871SOL HW1 7185 0.886 4.411 1.671 -0.2678 1.2196 -1.1936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7188 1871SOL HW2 7186 0.932 4.478 1.813 0.6370 0.9924 -1.3681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7189 1872SOL OW 7187 0.801 4.701 0.591 -0.0106 0.3595 -0.4274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7190 1872SOL HW1 7188 0.894 4.667 0.604 0.2905 0.8042 -1.3201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7191 1872SOL HW2 7189 0.741 4.661 0.661 1.1189 1.2100 1.0913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7192 1873SOL OW 7190 0.885 4.867 1.794 0.6407 -0.1539 -0.2899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7193 1873SOL HW1 7191 0.926 4.913 1.872 -0.0996 -0.7661 0.4740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7194 1873SOL HW2 7192 0.845 4.934 1.732 -0.2734 0.2477 0.7210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7195 1874SOL OW 7193 0.344 4.861 1.089 0.6401 0.6433 -0.1354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7196 1874SOL HW1 7194 0.246 4.844 1.099 1.1998 -1.5881 3.5348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7197 1874SOL HW2 7195 0.366 4.951 1.126 -0.0138 1.2256 -1.1292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7198 1875SOL OW 7196 1.409 5.122 1.288 0.2540 0.0592 -0.0672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7199 1875SOL HW1 7197 1.455 5.211 1.286 1.5623 -0.5984 -0.1122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7200 1875SOL HW2 7198 1.344 5.121 1.364 2.1127 0.1816 1.6129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7201 1876SOL OW 7199 0.349 3.839 1.563 0.3411 -0.3178 -0.4610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7202 1876SOL HW1 7200 0.432 3.835 1.618 1.5394 -0.0056 -2.1648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7203 1876SOL HW2 7201 0.269 3.847 1.623 1.6653 1.6066 1.1715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7204 1877SOL OW 7202 1.517 4.047 0.624 0.6905 -0.3693 0.1382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7205 1877SOL HW1 7203 1.577 4.107 0.570 0.0733 -1.6664 -2.1096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7206 1877SOL HW2 7204 1.454 4.103 0.678 2.0790 0.9834 0.4524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7207 1878SOL OW 7205 0.076 5.540 0.520 -0.0846 0.1740 0.0459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7208 1878SOL HW1 7206 0.147 5.565 0.586 -1.7114 0.9303 1.5846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7209 1878SOL HW2 7207 0.105 5.567 0.428 1.2150 1.2795 0.7506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7210 1879SOL OW 7208 1.142 4.888 1.401 0.0863 -0.3059 0.0371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7211 1879SOL HW1 7209 1.234 4.862 1.374 0.3679 -0.5195 1.1513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7212 1879SOL HW2 7210 1.104 4.820 1.464 -0.8102 -0.1845 -0.3465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7213 1880SOL OW 7211 0.200 5.092 0.556 -0.1321 0.2913 0.0030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7214 1880SOL HW1 7212 0.136 5.159 0.594 0.0090 1.2489 -1.3484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7215 1880SOL HW2 7213 0.180 5.001 0.593 -1.5379 0.7687 0.4641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7216 1881SOL OW 7214 0.347 4.404 0.819 0.5623 -0.4306 -0.2257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7217 1881SOL HW1 7215 0.344 4.320 0.872 -0.1904 -0.8119 -0.8432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7218 1881SOL HW2 7216 0.334 4.483 0.879 -2.5030 -0.9588 -0.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7219 1882SOL OW 7217 0.587 5.279 1.331 -0.0347 0.0548 -0.0674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7220 1882SOL HW1 7218 0.607 5.303 1.426 1.1116 0.4519 -0.3935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7221 1882SOL HW2 7219 0.647 5.331 1.270 -1.8289 1.0018 -1.1068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7222 1883SOL OW 7220 0.372 4.855 0.410 -0.0806 0.0356 0.0356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7223 1883SOL HW1 7221 0.469 4.879 0.420 1.0962 -3.3290 -1.7186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7224 1883SOL HW2 7222 0.339 4.888 0.322 -0.6277 1.2753 0.6789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7225 1884SOL OW 7223 1.417 3.665 1.319 0.0560 -1.0204 -0.6167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7226 1884SOL HW1 7224 1.393 3.760 1.303 1.2468 -0.7840 -1.1085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7227 1884SOL HW2 7225 1.348 3.622 1.377 -1.4306 -0.3614 -1.8602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7228 1885SOL OW 7226 0.054 4.133 0.771 0.0158 0.4404 -0.3136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7229 1885SOL HW1 7227 0.150 4.110 0.755 0.2201 1.9438 -1.4059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7230 1885SOL HW2 7228 0.047 4.227 0.804 -0.9985 -0.1350 1.2233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7231 1886SOL OW 7229 2.071 5.379 0.441 -0.0407 0.5931 -0.3967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7232 1886SOL HW1 7230 2.082 5.288 0.482 0.6306 0.7415 -0.2341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7233 1886SOL HW2 7231 2.160 5.413 0.410 -0.4454 0.7556 -1.4162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7234 1887SOL OW 7232 7.195 5.010 0.376 0.3992 0.2614 -0.3398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7235 1887SOL HW1 7233 7.124 5.052 0.319 0.6275 -1.4567 -2.0013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7236 1887SOL HW2 7234 7.279 5.064 0.369 -0.0328 0.9417 -0.3483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7237 1888SOL OW 7235 1.931 4.575 0.665 0.2305 0.3014 -0.2255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7238 1888SOL HW1 7236 1.943 4.499 0.600 1.6240 -0.8435 1.2796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7239 1888SOL HW2 7237 1.956 4.661 0.621 0.4119 -0.3432 -1.4273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7240 1889SOL OW 7238 2.012 4.821 0.520 0.7401 0.3652 0.0895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7241 1889SOL HW1 7239 2.110 4.800 0.519 0.4368 -1.1821 1.0471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7242 1889SOL HW2 7240 1.972 4.797 0.431 0.6272 -2.2232 0.7700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7243 1890SOL OW 7241 0.232 4.364 1.548 0.4371 0.2972 0.2716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7244 1890SOL HW1 7242 0.270 4.285 1.596 -0.3185 -0.7887 -0.8548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7245 1890SOL HW2 7243 0.134 4.371 1.567 -0.1189 -0.7924 -1.8500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7246 1891SOL OW 7244 0.658 4.872 0.789 -0.3576 0.0761 0.0035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7247 1891SOL HW1 7245 0.567 4.864 0.748 -0.0071 -0.3964 -0.6993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7248 1891SOL HW2 7246 0.719 4.919 0.726 0.0330 -0.1200 0.2329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7249 1892SOL OW 7247 1.370 4.819 1.341 0.1391 -0.0796 0.0536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7250 1892SOL HW1 7248 1.420 4.885 1.284 0.7356 -0.5872 -0.0164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7251 1892SOL HW2 7249 1.418 4.809 1.429 -0.2933 0.0407 0.3040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7252 1893SOL OW 7250 0.855 3.829 0.433 -0.4817 -0.2717 0.4519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7253 1893SOL HW1 7251 0.899 3.919 0.437 -0.8911 -0.1150 1.7103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7254 1893SOL HW2 7252 0.757 3.838 0.448 -0.7478 -0.7846 -0.8731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7255 1894SOL OW 7253 0.310 4.455 1.302 -0.3487 -0.2996 -0.4478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7256 1894SOL HW1 7254 0.355 4.369 1.278 0.3488 0.3984 -1.7737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7257 1894SOL HW2 7255 0.273 4.449 1.394 3.5274 -0.5516 1.2871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7258 1895SOL OW 7256 1.731 4.778 0.413 0.4371 0.4483 0.3351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7259 1895SOL HW1 7257 1.700 4.693 0.370 0.8355 0.3977 0.1521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7260 1895SOL HW2 7258 1.698 4.856 0.360 -2.3731 0.5356 2.0134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7261 1896SOL OW 7259 1.382 5.485 1.513 0.4061 0.0128 -0.5234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7262 1896SOL HW1 7260 1.298 5.521 1.472 1.0179 -0.0249 -1.8670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7263 1896SOL HW2 7261 1.361 5.401 1.563 -0.5042 0.5180 -0.0299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7264 1897SOL OW 7262 0.405 3.824 1.945 0.0365 -0.0529 0.7331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7265 1897SOL HW1 7263 0.421 3.921 1.926 1.3638 -0.6190 -1.4778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7266 1897SOL HW2 7264 0.308 3.808 1.962 -0.1589 1.6825 1.3677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7267 1898SOL OW 7265 1.606 5.091 0.744 0.1365 -0.0102 0.2387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7268 1898SOL HW1 7266 1.568 5.088 0.837 0.4526 -0.2482 0.3642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7269 1898SOL HW2 7267 1.649 5.003 0.724 -0.7519 -0.2930 -0.4893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7270 1899SOL OW 7268 1.649 5.487 0.518 -0.1391 -0.0623 -0.3698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7271 1899SOL HW1 7269 1.642 5.402 0.466 -1.1943 0.5548 -1.2802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7272 1899SOL HW2 7270 1.570 5.495 0.580 0.4945 -0.2290 0.4777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7273 1900SOL OW 7271 0.427 4.507 0.300 0.2163 0.3885 -0.0183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7274 1900SOL HW1 7272 0.515 4.549 0.322 1.2121 -0.8894 -1.3966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7275 1900SOL HW2 7273 0.392 4.460 0.381 -0.0167 2.2056 1.0077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7276 1901SOL OW 7274 1.090 3.957 0.973 -0.1677 -0.0058 -0.1440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7277 1901SOL HW1 7275 1.004 3.914 0.946 -0.5857 0.3486 0.5898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7278 1901SOL HW2 7276 1.167 3.907 0.933 -0.7138 -0.2821 -0.8639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7279 1902SOL OW 7277 1.699 5.272 0.370 1.2750 -0.7722 0.4570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7280 1902SOL HW1 7278 1.733 5.204 0.435 0.3656 -3.2977 -1.5251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7281 1902SOL HW2 7279 1.745 5.260 0.282 0.7409 0.9148 -0.0934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7282 1903SOL OW 7280 0.680 4.181 1.537 -0.1224 0.3840 0.6503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7283 1903SOL HW1 7281 0.777 4.154 1.538 0.0842 1.1031 1.0668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7284 1903SOL HW2 7282 0.628 4.116 1.482 0.1499 -1.4804 2.5098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7285 1904SOL OW 7283 1.452 4.193 1.535 0.3562 0.2846 -0.2919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7286 1904SOL HW1 7284 1.518 4.267 1.546 1.0453 -0.3110 -0.3881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7287 1904SOL HW2 7285 1.494 4.106 1.560 -0.4244 -0.0946 -0.2474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7288 1905SOL OW 7286 1.047 4.530 1.371 0.1891 -0.2865 0.1308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7289 1905SOL HW1 7287 1.053 4.444 1.422 -0.1922 -1.6979 -2.0910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7290 1905SOL HW2 7288 0.951 4.551 1.352 0.2591 0.8072 0.8499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7291 1906SOL OW 7289 1.146 4.019 1.227 0.4582 0.0093 -0.2803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7292 1906SOL HW1 7290 1.111 3.981 1.141 -0.4305 -2.1088 0.9229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7293 1906SOL HW2 7291 1.137 4.118 1.226 -0.9431 -0.0794 -2.0184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7294 1907SOL OW 7292 1.334 4.348 0.491 0.7194 0.6042 -0.3322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7295 1907SOL HW1 7293 1.367 4.442 0.506 -0.3394 0.8822 0.4491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7296 1907SOL HW2 7294 1.338 4.298 0.577 -1.3363 0.8257 -0.0465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7297 1908SOL OW 7295 0.034 4.416 0.775 0.5984 0.4125 0.2319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7298 1908SOL HW1 7296 0.133 4.410 0.758 0.7031 2.4983 -0.1827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7299 1908SOL HW2 7297 0.016 4.491 0.839 -0.7364 0.1721 0.1585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7300 1909SOL OW 7298 7.181 5.449 1.535 -0.2704 0.1189 -0.1860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7301 1909SOL HW1 7299 7.231 5.410 1.612 1.5760 1.0458 -0.8652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7302 1909SOL HW2 7300 7.165 5.546 1.552 0.0164 0.2953 -0.8925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7303 1910SOL OW 7301 0.771 4.167 0.182 0.0868 0.1733 0.0487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7304 1910SOL HW1 7302 0.693 4.202 0.128 -0.1677 -0.9667 -0.3571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7305 1910SOL HW2 7303 0.848 4.229 0.172 -0.5885 1.0341 -0.0001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7306 1911SOL OW 7304 1.652 4.242 1.787 0.0861 -0.3603 -0.1451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7307 1911SOL HW1 7305 1.610 4.327 1.757 0.6773 -0.9086 -2.7699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7308 1911SOL HW2 7306 1.585 4.189 1.840 -1.3877 0.3038 -1.2560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7309 1912SOL OW 7307 1.388 4.669 0.300 0.5585 -0.1830 0.2043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7310 1912SOL HW1 7308 1.342 4.644 0.215 2.5275 -0.2859 -0.8947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7311 1912SOL HW2 7309 1.351 4.755 0.334 1.3004 1.1315 -2.0772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7312 1913SOL OW 7310 0.653 3.555 0.781 0.5144 -0.4706 -0.0848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7313 1913SOL HW1 7311 0.623 3.643 0.818 -1.5961 -0.8872 -0.6698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7314 1913SOL HW2 7312 0.744 3.565 0.741 -0.1459 1.7601 -1.1830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7315 1914SOL OW 7313 0.905 5.015 0.425 -0.9972 0.0517 -0.2035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7316 1914SOL HW1 7314 0.895 5.114 0.413 0.2052 0.3164 0.7351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7317 1914SOL HW2 7315 0.917 4.995 0.522 2.2280 -0.5924 -0.5982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7318 1915SOL OW 7316 0.381 5.413 0.843 -0.1890 0.1596 0.4057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7319 1915SOL HW1 7317 0.447 5.355 0.796 0.5499 -0.1141 1.7303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7320 1915SOL HW2 7318 0.424 5.456 0.923 -1.4035 0.5543 0.8771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7321 1916SOL OW 7319 1.888 4.745 0.899 -0.0469 -0.5342 0.0910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7322 1916SOL HW1 7320 1.919 4.666 0.847 0.6197 -1.0719 1.2732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7323 1916SOL HW2 7321 1.814 4.718 0.961 0.4424 -0.3449 0.7799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7324 1917SOL OW 7322 1.165 5.155 1.411 -0.7343 0.1890 -0.2413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7325 1917SOL HW1 7323 1.154 5.059 1.384 -0.9689 0.9572 -3.1962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7326 1917SOL HW2 7324 1.079 5.188 1.451 -0.5658 -0.8670 1.0546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7327 1918SOL OW 7325 0.283 4.708 0.153 0.6862 0.0183 0.3334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7328 1918SOL HW1 7326 0.343 4.640 0.195 0.6425 -1.6948 -2.1830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7329 1918SOL HW2 7327 0.300 4.712 0.055 -0.9979 1.9513 0.0532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7330 1919SOL OW 7328 1.634 4.594 0.658 -0.4557 -0.1783 -0.0797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7331 1919SOL HW1 7329 1.706 4.532 0.691 0.3536 0.7549 -0.0360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7332 1919SOL HW2 7330 1.656 4.623 0.564 -1.5237 -0.9867 -0.5939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7333 1920SOL OW 7331 0.446 5.127 1.584 -0.3824 0.2028 -0.5527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7334 1920SOL HW1 7332 0.471 5.069 1.507 0.7903 1.2853 -1.0378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7335 1920SOL HW2 7333 0.393 5.075 1.650 -0.9807 -0.8844 -1.8499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7336 1921SOL OW 7334 0.871 5.246 0.107 -0.5611 0.2046 0.2084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7337 1921SOL HW1 7335 0.876 5.246 0.207 -3.5674 0.3740 0.4600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7338 1921SOL HW2 7336 0.789 5.196 0.078 -0.4706 1.2578 -2.1000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7339 1922SOL OW 7337 7.174 3.998 1.447 -0.2760 -0.0444 -0.0681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7340 1922SOL HW1 7338 7.238 4.038 1.381 -1.7449 0.5704 -1.1715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7341 1922SOL HW2 7339 7.137 3.913 1.411 0.0217 -0.4814 0.6363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7342 1923SOL OW 7340 1.611 4.966 0.232 -0.1078 -0.6764 0.4270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7343 1923SOL HW1 7341 1.620 4.907 0.152 1.6919 1.0635 -0.7638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7344 1923SOL HW2 7342 1.550 5.042 0.211 1.1588 0.3385 0.3054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7345 1924SOL OW 7343 0.124 5.608 0.269 -0.6565 -0.1655 -0.1353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7346 1924SOL HW1 7344 0.204 5.645 0.223 -0.9192 0.8775 0.2182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7347 1924SOL HW2 7345 0.058 5.577 0.201 -0.7068 0.6309 -0.4642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7348 1925SOL OW 7346 1.559 3.831 0.174 0.0212 -0.1216 -0.4515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7349 1925SOL HW1 7347 1.479 3.796 0.126 0.6118 0.0042 -1.5437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7350 1925SOL HW2 7348 1.613 3.754 0.208 -0.7607 -0.2076 0.6676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7351 1926SOL OW 7349 0.234 5.212 1.110 0.7749 0.1020 -0.4765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7352 1926SOL HW1 7350 0.314 5.154 1.130 -0.2607 -1.4340 -0.6083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7353 1926SOL HW2 7351 0.170 5.160 1.054 -1.6163 0.2636 1.9378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7354 1927SOL OW 7352 0.840 5.275 0.850 -0.2458 0.1262 0.4346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7355 1927SOL HW1 7353 0.899 5.203 0.813 0.7780 1.2143 -0.1237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7356 1927SOL HW2 7354 0.751 5.272 0.804 0.6108 0.7285 -1.3777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7357 1928SOL OW 7355 0.299 4.409 0.541 0.5928 0.2274 0.3184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7358 1928SOL HW1 7356 0.214 4.359 0.524 -0.8410 3.0555 -1.8051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7359 1928SOL HW2 7357 0.315 4.417 0.639 -0.7260 -1.6844 0.7344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7360 1929SOL OW 7358 1.525 3.780 1.700 -0.5876 -0.6403 0.5266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7361 1929SOL HW1 7359 1.432 3.748 1.684 -1.1142 1.1315 -0.3078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7362 1929SOL HW2 7360 1.548 3.769 1.796 -1.2230 -2.1392 0.5293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7363 1930SOL OW 7361 0.719 3.887 0.000 0.5209 0.2543 0.1799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7364 1930SOL HW1 7362 0.804 3.937 0.016 1.2173 -1.0492 0.6750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7365 1930SOL HW2 7363 0.689 3.843 0.085 -1.2962 1.6109 0.3078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7366 1931SOL OW 7364 0.826 3.829 1.721 0.1952 -0.1332 -0.0807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7367 1931SOL HW1 7365 0.884 3.806 1.799 -0.2546 0.9552 0.5989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7368 1931SOL HW2 7366 0.734 3.791 1.735 -0.8634 2.7089 1.5443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7369 1932SOL OW 7367 1.096 5.139 1.128 0.3933 0.3188 0.4482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7370 1932SOL HW1 7368 1.167 5.096 1.073 0.1015 1.1581 -0.6082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7371 1932SOL HW2 7369 1.136 5.178 1.211 0.9329 -0.3893 0.5294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7372 1933SOL OW 7370 1.309 4.309 1.331 0.3369 0.1379 0.7591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7373 1933SOL HW1 7371 1.368 4.247 1.382 -0.6913 -0.9456 0.6670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7374 1933SOL HW2 7372 1.345 4.402 1.339 0.4925 -0.0494 3.0662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7375 1934SOL OW 7373 0.806 4.730 0.972 0.0980 -0.1806 0.3350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7376 1934SOL HW1 7374 0.745 4.792 0.923 0.0616 -0.1556 0.4130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7377 1934SOL HW2 7375 0.854 4.780 1.044 -0.4595 -0.3959 0.8621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7378 1935SOL OW 7376 1.074 4.183 0.806 0.5292 -0.4624 -0.4291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7379 1935SOL HW1 7377 1.019 4.136 0.738 -0.5730 1.1341 -0.7085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7380 1935SOL HW2 7378 1.080 4.128 0.889 -2.6821 -0.1731 0.1207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7381 1936SOL OW 7379 0.594 3.839 0.467 -0.1465 0.0193 0.4239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7382 1936SOL HW1 7380 0.538 3.785 0.531 0.8756 0.4815 1.7621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7383 1936SOL HW2 7381 0.567 3.935 0.472 0.0862 0.0905 0.3369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7384 1937SOL OW 7382 1.118 4.834 0.027 0.3017 -0.1901 0.2356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7385 1937SOL HW1 7383 1.165 4.747 0.010 1.3330 0.2197 0.9305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7386 1937SOL HW2 7384 1.107 4.847 0.126 -1.4520 -0.3550 0.0951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7387 1938SOL OW 7385 0.284 3.778 0.380 0.0521 -0.1956 -0.1020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7388 1938SOL HW1 7386 0.296 3.698 0.321 0.5579 0.9806 -1.6793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7389 1938SOL HW2 7387 0.345 3.771 0.458 0.3494 -1.1751 -0.4063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7390 1939SOL OW 7388 0.935 4.080 0.379 -0.5247 -0.2898 0.4269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7391 1939SOL HW1 7389 0.866 4.105 0.311 -0.2499 0.2507 0.3416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7392 1939SOL HW2 7390 1.026 4.083 0.336 -0.2518 0.9698 1.0361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7393 1940SOL OW 7391 1.067 4.268 1.411 -0.2084 -0.3045 0.2528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7394 1940SOL HW1 7392 1.060 4.191 1.475 -1.0175 -0.4844 -0.0439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7395 1940SOL HW2 7393 1.163 4.290 1.397 0.0575 -1.5385 0.0114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7396 1941SOL OW 7394 1.225 5.151 0.725 0.1862 -0.2848 0.2464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7397 1941SOL HW1 7395 1.315 5.131 0.685 0.3787 0.5202 0.2450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7398 1941SOL HW2 7396 1.235 5.225 0.791 -0.6528 0.5917 -0.5776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7399 1942SOL OW 7397 0.428 4.726 0.720 0.0942 0.2679 0.3392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7400 1942SOL HW1 7398 0.415 4.632 0.753 -0.4592 0.0312 -0.5046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7401 1942SOL HW2 7399 0.344 4.758 0.677 0.8570 0.4227 -1.1280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7402 1943SOL OW 7400 1.328 5.439 0.505 0.1236 0.2374 0.3647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7403 1943SOL HW1 7401 1.322 5.494 0.422 3.1062 1.2220 0.6531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7404 1943SOL HW2 7402 1.237 5.427 0.545 -1.4627 -0.5160 -3.1187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7405 1944SOL OW 7403 1.050 4.351 0.178 0.2557 0.4803 -0.9301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7406 1944SOL HW1 7404 1.024 4.392 0.265 -0.4177 -1.1843 -0.3220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7407 1944SOL HW2 7405 1.122 4.283 0.193 -0.0820 -0.0441 -1.6390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7408 1945SOL OW 7406 0.158 4.074 1.337 -0.4021 0.1634 -0.3214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7409 1945SOL HW1 7407 0.204 3.995 1.298 -0.9067 -0.2166 -0.1625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7410 1945SOL HW2 7408 0.202 4.099 1.424 0.1393 0.4372 -0.6709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7411 1946SOL OW 7409 0.535 3.644 1.143 -0.0363 0.0527 -0.0430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7412 1946SOL HW1 7410 0.611 3.649 1.208 0.1271 0.9041 -0.2872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7413 1946SOL HW2 7411 0.456 3.603 1.188 0.7507 -1.4908 0.0212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7414 1947SOL OW 7412 0.837 4.069 0.630 0.0489 0.4096 -0.7568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7415 1947SOL HW1 7413 0.799 4.159 0.608 0.2838 0.4285 -1.0980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7416 1947SOL HW2 7414 0.891 4.036 0.553 -1.3862 -0.7789 -1.2996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7417 1948SOL OW 7415 0.867 3.598 0.611 -0.5216 0.0323 -0.4403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7418 1948SOL HW1 7416 0.848 3.681 0.558 -2.2497 -0.9914 -1.4979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7419 1948SOL HW2 7417 0.945 3.550 0.570 0.7787 1.3019 0.4400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7420 1949SOL OW 7418 1.748 4.879 0.698 0.3928 0.6339 -0.1411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7421 1949SOL HW1 7419 1.764 4.809 0.767 0.5479 0.5389 -0.2723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7422 1949SOL HW2 7420 1.764 4.840 0.607 1.4529 1.1049 -0.1670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7423 1950SOL OW 7421 1.670 4.341 0.801 0.6949 -0.2447 0.2437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7424 1950SOL HW1 7422 1.582 4.369 0.840 0.7677 0.4496 -0.0737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7425 1950SOL HW2 7423 1.723 4.294 0.871 -1.0453 -3.2790 -0.3106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7426 1951SOL OW 7424 1.960 4.353 0.361 -0.8341 -0.0065 -0.4792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7427 1951SOL HW1 7425 1.977 4.323 0.455 0.2202 -1.0504 -0.9763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7428 1951SOL HW2 7426 1.882 4.303 0.324 -0.2916 -0.7480 -0.6530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7429 1952SOL OW 7427 0.297 5.175 0.308 0.0170 0.0224 0.4521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7430 1952SOL HW1 7428 0.263 5.145 0.398 -1.6268 -1.3071 -0.5646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7431 1952SOL HW2 7429 0.276 5.106 0.239 1.0123 1.1393 -1.0364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7432 1953SOL OW 7430 1.874 5.102 0.524 -0.7137 -0.5407 0.5160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7433 1953SOL HW1 7431 1.971 5.120 0.541 -0.9411 -0.1267 1.4240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7434 1953SOL HW2 7432 1.833 5.059 0.605 -1.0533 -1.6991 -0.2477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7435 1954SOL OW 7433 1.444 4.222 0.146 -0.7777 -0.0725 -0.3914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7436 1954SOL HW1 7434 1.424 4.175 0.232 -2.4672 1.0577 -0.1139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7437 1954SOL HW2 7435 1.523 4.179 0.102 -0.3856 -1.1961 1.3039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7438 1955SOL OW 7436 0.584 4.103 0.378 0.3406 -0.1846 0.3995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7439 1955SOL HW1 7437 0.661 4.089 0.315 -0.7573 -0.9597 -0.7962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7440 1955SOL HW2 7438 0.498 4.088 0.330 -0.6581 2.0029 1.3563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7441 1956SOL OW 7439 1.831 4.978 1.371 -0.4875 -0.3867 -0.2786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7442 1956SOL HW1 7440 1.883 4.928 1.441 -1.4917 -1.6308 -0.3712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7443 1956SOL HW2 7441 1.778 5.051 1.415 -0.7164 -0.8316 0.2103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7444 1957SOL OW 7442 1.020 4.813 1.146 0.2688 -0.2183 0.0202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7445 1957SOL HW1 7443 1.093 4.746 1.131 0.4979 -0.1877 0.9328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7446 1957SOL HW2 7444 1.032 4.856 1.236 -0.2111 0.6285 -0.3033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7447 1958SOL OW 7445 1.526 5.085 1.633 0.1002 -0.1179 0.0122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7448 1958SOL HW1 7446 1.536 4.992 1.599 0.8321 0.1746 -0.5865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7449 1958SOL HW2 7447 1.586 5.146 1.583 -1.0895 0.8601 -0.2697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7450 1959SOL OW 7448 1.222 4.932 0.949 0.4037 0.4879 0.1769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7451 1959SOL HW1 7449 1.135 4.896 0.982 0.5633 -0.6478 -0.5722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7452 1959SOL HW2 7450 1.219 4.939 0.849 1.3314 -0.0200 0.1025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7453 1960SOL OW 7451 1.663 4.716 1.056 0.7106 -0.0918 -0.1092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7454 1960SOL HW1 7452 1.678 4.809 1.091 0.7846 -0.8343 1.8965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7455 1960SOL HW2 7453 1.565 4.697 1.049 0.6854 0.2890 -1.0422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7456 1961SOL OW 7454 0.948 3.489 1.305 -0.1656 -0.3839 0.1915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7457 1961SOL HW1 7455 0.977 3.528 1.218 -1.6909 -0.7579 -0.5305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7458 1961SOL HW2 7456 0.963 3.554 1.379 2.3312 -0.5321 -0.1131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7459 1962SOL OW 7457 1.029 4.711 1.604 -0.6979 -0.2212 -0.2274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7460 1962SOL HW1 7458 0.963 4.744 1.671 -0.8182 0.5145 -0.6896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7461 1962SOL HW2 7459 0.992 4.629 1.559 -1.0594 -0.1254 -0.1099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7462 1963SOL OW 7460 0.692 4.559 0.377 -0.2032 0.3303 0.2954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7463 1963SOL HW1 7461 0.720 4.630 0.442 -2.0078 -0.9242 2.5866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7464 1963SOL HW2 7462 0.770 4.499 0.359 0.5335 1.1321 0.7101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7465 1964SOL OW 7463 0.499 4.226 1.215 0.2528 -0.1415 -0.7231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7466 1964SOL HW1 7464 0.557 4.157 1.259 -0.5895 -0.4770 -0.1095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7467 1964SOL HW2 7465 0.458 4.189 1.132 -1.4531 -0.9663 0.4317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7468 1965SOL OW 7466 1.398 3.931 1.214 0.3741 -0.1960 -0.1458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7469 1965SOL HW1 7467 1.467 4.001 1.199 0.2248 0.1292 0.6230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7470 1965SOL HW2 7468 1.307 3.973 1.211 0.3444 -0.0194 1.9577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7471 1966SOL OW 7469 0.079 5.191 1.335 0.0010 -0.2498 -0.3175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7472 1966SOL HW1 7470 0.140 5.202 1.256 0.0163 1.5579 -0.0795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7473 1966SOL HW2 7471 0.131 5.207 1.419 -0.7599 1.1672 -0.1044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7474 1967SOL OW 7472 0.213 4.656 0.475 -0.4945 0.1973 0.2872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7475 1967SOL HW1 7473 0.285 4.721 0.453 -0.9664 0.7342 0.2998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7476 1967SOL HW2 7474 0.254 4.568 0.500 0.2158 0.9593 1.9091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7477 1968SOL OW 7475 0.579 4.018 0.746 -0.3826 -1.0071 -0.4019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7478 1968SOL HW1 7476 0.651 4.057 0.688 -1.2118 0.4155 -0.5250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7479 1968SOL HW2 7477 0.619 3.950 0.808 1.1653 0.0832 -0.1442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7480 1969SOL OW 7478 1.369 4.887 0.468 0.1637 0.0675 0.0911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7481 1969SOL HW1 7479 1.331 4.971 0.429 0.4182 0.8872 1.5404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7482 1969SOL HW2 7480 1.469 4.894 0.470 0.2050 -0.4305 -0.1114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7483 1970SOL OW 7481 1.482 5.078 0.971 0.3309 -0.3267 -0.6388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7484 1970SOL HW1 7482 1.540 5.044 1.045 1.9156 -0.0103 -1.6807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7485 1970SOL HW2 7483 1.412 5.011 0.950 -0.6245 -0.1346 1.5911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7486 1971SOL OW 7484 1.645 4.278 0.538 -0.1399 -0.4604 0.3427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7487 1971SOL HW1 7485 1.638 4.368 0.495 0.0079 -0.9640 -0.7975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7488 1971SOL HW2 7486 1.669 4.288 0.634 -0.3633 0.7201 0.2889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7489 1972SOL OW 7487 0.465 5.097 1.152 0.0309 -0.0809 0.1051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7490 1972SOL HW1 7488 0.482 5.115 1.055 0.8320 -1.0838 0.0319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7491 1972SOL HW2 7489 0.521 5.157 1.208 -0.2554 0.3368 -0.0532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7492 1973SOL OW 7490 0.516 4.319 1.693 -0.5286 -0.0693 -0.2207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7493 1973SOL HW1 7491 0.441 4.330 1.627 -1.4881 -0.9832 0.7004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7494 1973SOL HW2 7492 0.592 4.270 1.649 -1.7519 -2.0334 -0.2432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7495 1974SOL OW 7493 1.590 4.472 1.646 0.6623 0.4068 0.4170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7496 1974SOL HW1 7494 1.499 4.512 1.631 -0.5237 -2.5000 -0.9998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7497 1974SOL HW2 7495 1.656 4.517 1.586 -1.3902 -2.0145 -4.2073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7498 1975SOL OW 7496 0.993 3.776 1.918 0.0873 0.2172 -0.1876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7499 1975SOL HW1 7497 1.045 3.857 1.893 -0.5037 0.2020 -1.5780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7500 1975SOL HW2 7498 1.047 3.718 1.980 0.4294 1.7541 0.9967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7501 1976SOL OW 7499 0.538 3.731 1.718 -0.4670 -0.2227 -0.0382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7502 1976SOL HW1 7500 0.565 3.635 1.717 -0.3464 -0.1915 -1.1803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7503 1976SOL HW2 7501 0.502 3.755 1.809 0.0312 -1.1847 0.4258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7504 1977SOL OW 7502 0.684 4.425 1.170 0.0653 0.0511 0.3115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7505 1977SOL HW1 7503 0.670 4.473 1.083 -0.1835 -0.7779 -0.1205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7506 1977SOL HW2 7504 0.627 4.343 1.172 1.1182 -0.6866 0.6614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7507 1978SOL OW 7505 1.184 4.572 1.127 -0.0224 0.1969 -0.5304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7508 1978SOL HW1 7506 1.151 4.550 1.219 -0.2110 -0.1311 -0.6760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7509 1978SOL HW2 7507 1.138 4.514 1.060 0.2777 0.2811 -0.8124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7510 1979SOL OW 7508 1.214 4.140 0.361 0.4997 0.3349 -0.1138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7511 1979SOL HW1 7509 1.279 4.067 0.381 -0.5089 0.1118 2.6509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7512 1979SOL HW2 7510 1.246 4.225 0.403 -0.8727 0.2534 1.1747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7513 1980SOL OW 7511 0.214 3.807 1.298 0.0857 -0.1371 0.2327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7514 1980SOL HW1 7512 0.246 3.803 1.392 -1.3783 -1.1944 0.7143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7515 1980SOL HW2 7513 0.220 3.716 1.256 -1.9415 -0.3342 0.2683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7516 1981SOL OW 7514 0.103 4.832 1.365 0.2611 0.1298 -0.2030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7517 1981SOL HW1 7515 0.187 4.786 1.393 0.0845 -0.7019 -0.9982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7518 1981SOL HW2 7516 0.112 4.930 1.380 0.7412 -0.1069 1.2845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7519 1982SOL OW 7517 0.763 4.042 1.038 0.6590 -0.2768 0.2114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7520 1982SOL HW1 7518 0.713 4.107 0.981 1.9785 0.7839 0.1829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7521 1982SOL HW2 7519 0.837 4.091 1.085 1.9159 -1.8330 -0.0720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7522 1983SOL OW 7520 1.726 4.583 1.898 0.2145 -0.0950 -0.2621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7523 1983SOL HW1 7521 1.664 4.550 1.827 -1.2261 0.5159 0.6622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7524 1983SOL HW2 7522 1.673 4.621 1.974 1.5473 -2.7031 2.1906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7525 1984SOL OW 7523 0.419 3.678 0.649 -0.0974 -0.3239 -0.2707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7526 1984SOL HW1 7524 0.343 3.724 0.696 0.0234 0.0697 -0.4562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7527 1984SOL HW2 7525 0.454 3.604 0.707 -0.0850 0.0248 0.1752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7528 1985SOL OW 7526 1.759 4.165 0.324 0.3652 -0.0377 -0.7313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7529 1985SOL HW1 7527 1.754 4.066 0.336 -0.6562 -0.0604 -1.2539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7530 1985SOL HW2 7528 1.723 4.210 0.405 0.9760 -0.0791 -0.4273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7531 1986SOL OW 7529 1.025 4.402 0.958 0.4892 0.4484 -0.0309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7532 1986SOL HW1 7530 0.979 4.362 1.038 -0.5257 0.6772 -0.4863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7533 1986SOL HW2 7531 1.069 4.329 0.905 0.2603 0.1635 0.1694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7534 1987SOL OW 7532 0.840 5.161 1.672 -0.0621 -0.1918 -0.1340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7535 1987SOL HW1 7533 0.869 5.188 1.580 -0.5289 -1.0408 -0.5413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7536 1987SOL HW2 7534 0.750 5.199 1.692 -0.6685 -1.3126 -0.6628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7537 1988SOL OW 7535 1.695 5.204 1.473 -0.8048 0.0140 -0.5109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7538 1988SOL HW1 7536 1.635 5.266 1.422 0.0296 0.4845 -0.9275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7539 1988SOL HW2 7537 1.783 5.248 1.489 0.0030 -1.2557 -1.2746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7540 1989SOL OW 7538 0.568 4.491 1.914 -0.4895 0.1058 -0.2843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7541 1989SOL HW1 7539 0.662 4.520 1.897 -0.1055 0.4276 2.1196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7542 1989SOL HW2 7540 0.538 4.433 1.838 1.7539 -0.3216 -0.9424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7543 1990SOL OW 7541 1.673 4.069 0.087 -0.4343 0.2717 0.6225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7544 1990SOL HW1 7542 1.634 3.982 0.117 0.8222 -0.8150 -0.7347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7545 1990SOL HW2 7543 1.721 4.112 0.163 1.1850 -1.5499 0.6962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7546 1991SOL OW 7544 1.487 4.432 7.179 0.1032 -0.3715 0.1656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7547 1991SOL HW1 7545 1.415 4.374 7.218 -1.4221 0.9389 -0.5516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7548 1991SOL HW2 7546 1.457 4.464 7.088 2.0091 -0.5144 -0.5440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7549 1992SOL OW 7547 0.980 5.004 0.689 0.2072 -0.4692 0.0960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7550 1992SOL HW1 7548 1.030 4.918 0.700 0.1183 -0.3171 2.1263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7551 1992SOL HW2 7549 1.044 5.079 0.673 0.6491 -0.3493 2.1863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7552 1993SOL OW 7550 0.303 4.173 0.958 -0.5702 -0.3961 -0.3657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7553 1993SOL HW1 7551 0.343 4.111 0.890 0.0976 -1.2402 0.7610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7554 1993SOL HW2 7552 0.237 4.123 1.014 -1.8026 0.5190 -0.9479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7555 1994SOL OW 7553 0.321 4.038 0.719 0.4832 -0.1920 0.0372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7556 1994SOL HW1 7554 0.287 3.946 0.738 2.4268 -1.5587 -2.5214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7557 1994SOL HW2 7555 0.421 4.037 0.720 0.5496 1.5747 -1.3740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7558 1995SOL OW 7556 1.140 4.028 1.931 0.0951 -0.6010 -0.4222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7559 1995SOL HW1 7557 1.168 4.110 1.881 -0.0943 -0.6622 -0.6345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7560 1995SOL HW2 7558 1.158 4.039 2.028 -1.3936 0.3334 -0.2265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7561 1996SOL OW 7559 1.108 3.896 1.470 0.3686 0.0662 0.3108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7562 1996SOL HW1 7560 1.065 3.965 1.528 -0.4906 -0.2300 0.0441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7563 1996SOL HW2 7561 1.138 3.939 1.384 0.7997 0.3149 0.5827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7564 1997SOL OW 7562 6.985 5.073 0.232 0.5348 -0.3107 -0.4731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7565 1997SOL HW1 7563 6.934 5.015 0.170 -0.6877 0.2630 -0.0506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7566 1997SOL HW2 7564 6.922 5.134 0.280 1.5384 -0.1075 0.6537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7567 1998SOL OW 7565 0.110 5.305 0.839 0.1599 -0.0502 -0.0488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7568 1998SOL HW1 7566 0.113 5.214 0.880 0.3637 -0.1570 -0.3022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7569 1998SOL HW2 7567 0.200 5.347 0.844 0.0907 0.0964 -0.0276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7570 1999SOL OW 7568 0.482 5.089 0.893 -0.0676 -0.1548 -0.0929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7571 1999SOL HW1 7569 0.443 5.092 0.801 -0.2622 0.5844 0.0046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7572 1999SOL HW2 7570 0.558 5.025 0.896 -0.1843 -0.3197 -0.7224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7573 2000SOL OW 7571 0.927 4.266 1.192 -0.1218 -1.2093 0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7574 2000SOL HW1 7572 0.956 4.266 1.287 -1.5488 -2.4159 0.5469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7575 2000SOL HW2 7573 0.849 4.327 1.181 0.9912 0.1281 -0.6862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7576 2001SOL OW 7574 0.066 4.262 1.146 -0.0721 -0.3779 -0.0424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7577 2001SOL HW1 7575 0.159 4.294 1.128 -0.4143 0.5754 -0.2024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7578 2001SOL HW2 7576 0.069 4.173 1.192 0.9102 -0.3677 -0.0644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7579 2002SOL OW 7577 0.289 4.118 1.624 0.3003 -0.0967 -0.5586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7580 2002SOL HW1 7578 0.203 4.067 1.632 0.6414 -0.8824 -1.7357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7581 2002SOL HW2 7579 0.336 4.117 1.712 -2.0634 2.5612 0.9340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7582 2003SOL OW 7580 1.325 4.571 1.614 0.1449 -0.3171 0.0136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7583 2003SOL HW1 7581 1.235 4.614 1.626 -1.4484 -3.3137 0.1025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7584 2003SOL HW2 7582 1.348 4.568 1.517 -0.5517 -0.7166 -0.1490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7585 2004SOL OW 7583 0.672 4.271 0.569 -0.2814 0.1772 0.2707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7586 2004SOL HW1 7584 0.650 4.221 0.485 1.5145 -0.5954 0.2135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7587 2004SOL HW2 7585 0.618 4.355 0.573 -1.5376 -0.5280 -0.8753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7588 2005SOL OW 7586 1.571 4.169 1.186 -0.1916 -0.1188 -0.5552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7589 2005SOL HW1 7587 1.503 4.242 1.188 -0.8790 -0.7570 -0.1251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7590 2005SOL HW2 7588 1.653 4.201 1.138 -1.4271 0.1091 -2.6244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7591 2006SOL OW 7589 0.227 5.267 1.572 -0.2556 0.6137 0.1005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7592 2006SOL HW1 7590 0.198 5.310 1.658 0.9481 -0.6414 1.1823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7593 2006SOL HW2 7591 0.321 5.235 1.581 -0.1590 0.3155 -1.6586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7594 2007SOL OW 7592 0.661 3.812 0.938 0.6097 0.1969 0.4589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7595 2007SOL HW1 7593 0.608 3.761 1.006 -1.8570 1.2716 -0.5320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7596 2007SOL HW2 7594 0.696 3.896 0.980 0.2746 0.1891 0.7663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7597 2008SOL OW 7595 0.892 5.242 1.412 -0.1290 0.1360 0.1151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7598 2008SOL HW1 7596 0.827 5.184 1.362 -1.6713 0.7993 1.2590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7599 2008SOL HW2 7597 0.919 5.319 1.355 -0.2104 -0.2368 -0.4358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7600 2009SOL OW 7598 0.330 4.300 0.136 -0.0494 -0.5773 0.4114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7601 2009SOL HW1 7599 0.363 4.365 0.204 3.4875 -0.2023 -1.4312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7602 2009SOL HW2 7600 0.232 4.314 0.121 0.3564 3.9748 0.5674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7603 2010SOL OW 7601 0.325 4.718 1.444 -0.3168 -0.6940 0.2487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7604 2010SOL HW1 7602 0.377 4.698 1.527 -1.4103 -1.9776 0.6538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7605 2010SOL HW2 7603 0.339 4.645 1.377 -0.8975 -0.5988 0.0147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7606 2011SOL OW 7604 1.405 4.712 1.051 0.0718 0.1664 -0.3392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7607 2011SOL HW1 7605 1.314 4.682 1.080 0.3565 -0.4958 -0.0984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7608 2011SOL HW2 7606 1.401 4.807 1.020 -0.9915 -0.2967 -1.7265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7609 2012SOL OW 7607 1.624 4.547 0.327 -0.3027 -0.2334 -0.7350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7610 2012SOL HW1 7608 1.533 4.587 0.316 -0.7235 -0.7060 0.8381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7611 2012SOL HW2 7609 1.649 4.498 0.244 -1.4621 -0.0554 -1.2000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7612 2013SOL OW 7610 1.668 5.521 1.177 -0.2291 0.3881 -0.0518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7613 2013SOL HW1 7611 1.751 5.483 1.135 -1.1345 0.9058 -2.5315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7614 2013SOL HW2 7612 1.605 5.550 1.104 -2.5518 0.1123 1.7194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7615 2014SOL OW 7613 1.315 5.295 0.979 0.5797 0.7132 0.2172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7616 2014SOL HW1 7614 1.368 5.378 0.992 -0.6574 1.5029 0.3922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7617 2014SOL HW2 7615 1.376 5.217 0.970 1.8392 1.8319 -1.5082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7618 2015SOL OW 7616 0.083 4.811 1.075 -0.3024 -0.5375 0.7404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7619 2015SOL HW1 7617 0.034 4.789 1.159 1.1137 -0.7002 1.5541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7620 2015SOL HW2 7618 0.076 4.735 1.011 -0.2785 -0.9671 1.2469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7621 2016SOL OW 7619 0.681 5.487 1.551 -0.4352 0.4005 0.3780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7622 2016SOL HW1 7620 0.671 5.566 1.612 0.5578 -0.0060 1.0883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7623 2016SOL HW2 7621 0.724 5.516 1.466 -0.6938 0.7467 0.3634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7624 2017SOL OW 7622 0.996 3.982 0.029 0.7616 0.1887 -0.1610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7625 2017SOL HW1 7623 1.076 4.035 -0.000 1.3118 -1.1365 -1.1448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7626 2017SOL HW2 7624 1.019 3.885 0.032 -0.5706 -0.1289 0.4075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7627 2018SOL OW 7625 1.762 3.895 0.406 0.3684 0.1263 0.2047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7628 2018SOL HW1 7626 1.789 3.865 0.314 1.0616 0.6381 0.2310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7629 2018SOL HW2 7627 1.726 3.817 0.457 -1.9090 0.1852 -1.1372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7630 2019SOL OW 7628 1.373 5.168 0.386 -0.3745 -0.5779 0.0574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7631 2019SOL HW1 7629 1.448 5.201 0.329 -0.6058 -1.9722 -1.1187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7632 2019SOL HW2 7630 1.331 5.245 0.435 0.9050 0.4088 -0.3444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7633 2020SOL OW 7631 0.073 5.384 1.743 -0.2818 0.1976 -0.1294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7634 2020SOL HW1 7632 -0.023 5.376 1.769 -0.7673 1.6014 -1.3589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7635 2020SOL HW2 7633 0.121 5.442 1.808 -0.4254 0.0531 0.1061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7636 2021SOL OW 7634 1.384 4.634 0.604 0.0578 -0.2296 0.2148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7637 2021SOL HW1 7635 1.476 4.627 0.641 0.7143 1.3275 -0.9970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7638 2021SOL HW2 7636 1.387 4.683 0.517 -1.8638 -0.5758 -0.0874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7639 2022SOL OW 7637 0.749 4.856 1.312 -0.6314 0.1486 0.3055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7640 2022SOL HW1 7638 0.658 4.886 1.343 -1.2445 -0.8149 -0.5056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7641 2022SOL HW2 7639 0.780 4.916 1.238 -1.6807 -0.9216 -1.0461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7642 2023SOL OW 7640 0.581 5.146 0.278 -0.6156 -0.6416 0.1680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7643 2023SOL HW1 7641 0.630 5.166 0.193 0.6980 1.0200 1.2487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7644 2023SOL HW2 7642 0.486 5.176 0.270 -0.8557 -1.6484 -1.1110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7645 2024SOL OW 7643 1.531 5.362 1.323 -0.0078 -0.2894 0.7025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7646 2024SOL HW1 7644 1.585 5.416 1.259 0.3942 -0.1104 1.1829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7647 2024SOL HW2 7645 1.487 5.423 1.389 0.2162 -0.5163 1.0710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7648 2025SOL OW 7646 1.737 3.870 0.791 0.0903 -0.4738 0.4773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7649 2025SOL HW1 7647 1.773 3.777 0.784 0.7096 -0.1247 -1.5366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7650 2025SOL HW2 7648 1.646 3.874 0.750 -0.0894 -0.2513 0.8874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7651 2026SOL OW 7649 0.216 3.777 0.780 0.4626 -0.9397 -0.5309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7652 2026SOL HW1 7650 0.131 3.740 0.746 -1.0312 1.3789 0.4170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7653 2026SOL HW2 7651 0.210 3.790 0.879 0.8430 1.7231 -0.7857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7654 2027SOL OW 7652 1.295 5.030 7.223 -0.3484 0.0749 -0.5571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7655 2027SOL HW1 7653 1.235 4.952 7.243 0.7775 -1.1311 -1.6703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7656 2027SOL HW2 7654 1.258 5.080 7.144 0.6819 -1.4121 -2.0579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7657 2028SOL OW 7655 0.787 4.595 1.367 -0.1168 -0.0939 -0.1334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7658 2028SOL HW1 7656 0.735 4.526 1.317 -1.3905 0.7001 0.0361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7659 2028SOL HW2 7657 0.767 4.686 1.329 0.0718 0.3673 0.8298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7660 2029SOL OW 7658 0.960 4.428 0.426 0.4552 -0.4217 -0.1953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7661 2029SOL HW1 7659 1.014 4.509 0.448 2.6871 -1.5945 -1.0810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7662 2029SOL HW2 7660 0.988 4.352 0.484 -0.3094 -1.0451 -0.6155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7663 2030SOL OW 7661 1.453 5.206 0.111 -0.3088 -0.0514 0.1061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7664 2030SOL HW1 7662 1.402 5.143 0.052 -3.1152 2.4352 -0.3812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7665 2030SOL HW2 7663 1.539 5.232 0.067 -0.4274 -1.3461 -0.9430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7666 2031SOL OW 7664 0.489 4.945 1.388 0.3663 0.1577 -0.2610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7667 2031SOL HW1 7665 0.469 4.996 1.304 1.7528 0.6832 -0.3068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7668 2031SOL HW2 7666 0.424 4.870 1.398 -0.8118 1.0583 -0.9554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7669 2032SOL OW 7667 1.601 4.974 1.207 0.1397 -0.0234 -0.2269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7670 2032SOL HW1 7668 1.689 4.982 1.253 -0.1867 -0.1103 0.4259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7671 2032SOL HW2 7669 1.534 5.033 1.251 -0.0777 0.2196 -0.8639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7672 2033SOL OW 7670 1.140 4.779 0.717 -0.2706 0.3834 0.2285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7673 2033SOL HW1 7671 1.085 4.706 0.757 -1.3748 0.6169 -0.7832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7674 2033SOL HW2 7672 1.229 4.742 0.689 -0.7591 -0.5582 -0.1506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7675 2034SOL OW 7673 0.936 3.772 0.835 0.1088 -0.4204 0.2382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7676 2034SOL HW1 7674 0.966 3.748 0.742 0.2646 -0.6220 0.3389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7677 2034SOL HW2 7675 0.840 3.745 0.847 -0.3435 0.8640 -0.3178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7678 2035SOL OW 7676 0.452 5.094 0.632 0.6941 0.2148 -0.5219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7679 2035SOL HW1 7677 0.511 5.027 0.587 -0.1139 -1.0718 0.2635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7680 2035SOL HW2 7678 0.361 5.090 0.592 0.5745 0.6962 -0.3040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7681 2036SOL OW 7679 1.827 3.964 1.357 -0.0308 -0.2465 -0.0421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7682 2036SOL HW1 7680 1.859 4.059 1.358 0.1793 -0.3123 0.9700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7683 2036SOL HW2 7681 1.834 3.928 1.265 1.5552 0.1861 -0.1330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7684 2037SOL OW 7682 7.217 4.738 0.407 0.3345 0.5658 -0.3783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7685 2037SOL HW1 7683 7.212 4.838 0.406 1.7469 0.6784 -2.4243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7686 2037SOL HW2 7684 7.310 4.709 0.428 -0.3749 -0.4205 1.6701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7687 2038SOL OW 7685 0.254 4.777 1.820 0.2458 0.1564 0.7452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7688 2038SOL HW1 7686 0.177 4.745 1.766 -2.1874 2.9908 2.2596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7689 2038SOL HW2 7687 0.288 4.703 1.877 0.4953 -1.8716 -1.8323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7690 2039SOL OW 7688 0.919 3.702 1.475 0.3224 -0.1555 0.4905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7691 2039SOL HW1 7689 0.981 3.779 1.464 -1.3303 1.2160 0.4098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7692 2039SOL HW2 7690 0.871 3.710 1.562 0.6873 -1.5504 0.8483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7693 2040SOL OW 7691 0.014 4.116 0.068 0.2408 -0.3428 0.2145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7694 2040SOL HW1 7692 0.010 4.198 0.126 0.8619 0.1981 -0.4940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7695 2040SOL HW2 7693 0.002 4.142 -0.027 -1.7363 -1.3317 0.1316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7696 2041SOL OW 7694 1.436 4.538 1.327 -0.5021 0.0386 -0.4423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7697 2041SOL HW1 7695 1.386 4.623 1.309 0.3784 0.9990 1.3758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7698 2041SOL HW2 7696 1.532 4.550 1.301 -0.6414 -0.8693 -1.4069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7699 2042SOL OW 7697 0.212 3.912 0.047 -0.2924 -0.7446 0.2344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7700 2042SOL HW1 7698 0.136 3.977 0.047 0.0584 -0.3221 0.4949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7701 2042SOL HW2 7699 0.282 3.944 0.111 1.6928 0.7393 -2.5052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7702 2043SOL OW 7700 1.100 4.663 0.445 -0.0827 -0.0836 0.3771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7703 2043SOL HW1 7701 1.040 4.711 0.382 1.0376 -0.7633 -1.2828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7704 2043SOL HW2 7702 1.159 4.728 0.493 0.8747 0.3196 -1.2610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7705 2044SOL OW 7703 0.754 4.436 1.576 -0.0630 0.2541 0.3672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7706 2044SOL HW1 7704 0.754 4.512 1.511 -0.8800 -0.0047 0.0553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7707 2044SOL HW2 7705 0.704 4.359 1.537 2.2817 -1.1378 -0.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7708 2045SOL OW 7706 1.496 5.541 0.933 -0.1480 -0.0714 -0.2258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7709 2045SOL HW1 7707 1.501 5.635 0.898 0.7273 0.5532 1.4567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7710 2045SOL HW2 7708 1.499 5.477 0.856 -0.4304 1.2556 -1.3948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7711 2046SOL OW 7709 0.985 4.068 1.622 -0.0380 0.6159 0.0338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7712 2046SOL HW1 7710 1.052 4.117 1.678 0.6232 -1.3874 1.0821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7713 2046SOL HW2 7711 0.941 3.997 1.677 -0.0585 -0.8090 -1.7299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7714 2047SOL OW 7712 1.557 4.824 1.578 -0.1295 0.7273 -0.5696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7715 2047SOL HW1 7713 1.542 4.824 1.677 -1.0143 2.4006 -0.6530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7716 2047SOL HW2 7714 1.631 4.762 1.555 -1.4203 -1.4879 0.8837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7717 2048SOL OW 7715 0.226 5.510 1.418 0.4042 -0.5338 0.0180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7718 2048SOL HW1 7716 0.203 5.422 1.458 0.1572 -0.5240 -0.1047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7719 2048SOL HW2 7717 0.143 5.558 1.391 0.5802 -0.6924 -0.8296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7720 2049SOL OW 7718 1.705 4.529 1.257 0.0410 0.1144 0.2161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7721 2049SOL HW1 7719 1.738 4.438 1.232 -0.9122 -0.8518 2.2251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7722 2049SOL HW2 7720 1.695 4.585 1.175 -1.6773 -2.3684 -1.3879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7723 2050SOL OW 7721 1.422 3.952 0.384 -0.2482 0.3262 0.0208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7724 2050SOL HW1 7722 1.476 3.895 0.322 -0.4921 0.6180 -0.4692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7725 2050SOL HW2 7723 1.480 3.981 0.461 0.2201 0.4084 -0.3547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7726 2051SOL OW 7724 0.682 4.263 0.905 -0.1874 0.4438 -0.5897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7727 2051SOL HW1 7725 0.631 4.346 0.927 -0.4793 -0.1273 1.0094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7728 2051SOL HW2 7726 0.683 4.250 0.806 -1.5232 1.4878 -0.7670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7729 2052SOL OW 7727 1.615 3.979 1.564 -0.5877 0.7963 -0.2819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7730 2052SOL HW1 7728 1.680 3.968 1.488 -0.0798 0.4962 0.1858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7731 2052SOL HW2 7729 1.566 3.894 1.579 -0.1274 0.6074 0.2170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7732 2053SOL OW 7730 1.742 4.656 1.486 -0.1279 -0.0878 0.1792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7733 2053SOL HW1 7731 1.839 4.679 1.486 -0.6184 2.3299 -1.4476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7734 2053SOL HW2 7732 1.716 4.620 1.397 -0.8241 -0.2067 0.4206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7735 2054SOL OW 7733 0.959 4.807 0.267 0.1106 0.0332 0.1675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7736 2054SOL HW1 7734 0.941 4.881 0.331 1.8782 1.0844 -0.4748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7737 2054SOL HW2 7735 0.887 4.805 0.197 -0.2389 0.8101 0.4907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7738 2055SOL OW 7736 0.707 5.359 1.079 0.2504 -0.8621 -0.6363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7739 2055SOL HW1 7737 0.643 5.436 1.078 1.1727 -0.0631 -0.7675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7740 2055SOL HW2 7738 0.743 5.344 0.987 0.5681 -1.0094 -0.4912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7741 2056SOL OW 7739 0.952 4.610 0.795 -0.5068 0.0421 -0.2826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7742 2056SOL HW1 7740 0.969 4.525 0.845 -2.1241 -1.9477 -2.8324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7743 2056SOL HW2 7741 0.903 4.674 0.854 0.5126 -0.8481 1.6247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7744 2057SOL OW 7742 1.267 4.598 0.064 0.2094 -0.5974 -0.5364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7745 2057SOL HW1 7743 1.191 4.533 0.067 -0.2655 -0.0305 0.5652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7746 2057SOL HW2 7744 1.337 4.566 -0.000 -0.0443 -2.1442 -0.0808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7747 2058SOL OW 7745 1.889 5.457 0.625 0.0629 0.2875 -0.2666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7748 2058SOL HW1 7746 1.801 5.486 0.587 0.9018 1.6249 -1.2565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7749 2058SOL HW2 7747 1.948 5.426 0.551 0.4037 -0.6809 0.4070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7750 2059SOL OW 7748 0.274 5.045 1.800 -0.0265 0.2614 0.0665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7751 2059SOL HW1 7749 0.270 4.945 1.798 -0.4135 0.2810 -0.2720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7752 2059SOL HW2 7750 0.260 5.078 1.893 -1.0191 0.0422 0.0024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7753 2060SOL OW 7751 0.134 4.855 0.653 -0.3256 0.3016 0.1547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7754 2060SOL HW1 7752 0.057 4.861 0.718 -0.3217 0.8116 0.1155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7755 2060SOL HW2 7753 0.128 4.769 0.603 -0.4950 0.0321 0.6278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7756 2061SOL OW 7754 0.598 5.287 1.713 -0.5258 -0.6023 0.1532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7757 2061SOL HW1 7755 0.538 5.223 1.665 -0.3539 -0.2708 -0.5239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7758 2061SOL HW2 7756 0.631 5.356 1.648 2.9899 -2.4761 -0.2519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7759 2062SOL OW 7757 1.811 3.841 1.105 -0.0929 -0.1351 -0.0937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7760 2062SOL HW1 7758 1.758 3.756 1.101 -0.0541 -0.1315 -1.3196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7761 2062SOL HW2 7759 1.787 3.898 1.026 -1.1348 1.6274 1.4163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7762 2063SOL OW 7760 0.093 4.257 0.453 0.0291 -0.1595 0.5805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7763 2063SOL HW1 7761 0.165 4.188 0.444 0.5129 0.4258 -0.2679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7764 2063SOL HW2 7762 0.003 4.213 0.445 0.3426 -0.6633 -0.2633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7765 2064SOL OW 7763 1.835 5.247 0.804 -0.0298 0.3274 -0.6479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7766 2064SOL HW1 7764 1.845 5.320 0.737 -2.5527 0.1620 -1.2801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7767 2064SOL HW2 7765 1.750 5.197 0.787 -1.3855 0.9623 3.3210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7768 2065SOL OW 7766 0.525 3.989 1.394 0.3998 -0.3700 0.2277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7769 2065SOL HW1 7767 0.445 3.958 1.446 -0.0268 -0.7738 -0.6378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7770 2065SOL HW2 7768 0.577 3.909 1.364 1.7186 -0.0814 1.6603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7771 2066SOL OW 7769 0.614 5.299 0.686 0.8500 -0.6509 0.2734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7772 2066SOL HW1 7770 0.656 5.364 0.623 1.5422 -0.1663 1.2035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7773 2066SOL HW2 7771 0.564 5.230 0.635 0.4445 0.3739 -0.7597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7774 2067SOL OW 7772 1.315 3.827 0.964 0.1372 -0.0959 0.0179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7775 2067SOL HW1 7773 1.272 3.738 0.982 3.3289 -1.8534 -0.4480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7776 2067SOL HW2 7774 1.335 3.873 1.051 1.3149 -1.3124 0.4100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7777 2068SOL OW 7775 1.059 3.602 1.075 -0.3089 -0.5598 -0.7635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7778 2068SOL HW1 7776 1.009 3.654 1.007 1.4009 -0.1947 -1.8176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7779 2068SOL HW2 7777 1.123 3.540 1.029 -0.0446 -1.2557 0.4982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7780 2069SOL OW 7778 0.625 4.901 0.498 -0.5576 0.1112 -0.2021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7781 2069SOL HW1 7779 0.680 4.824 0.529 -0.4005 0.1764 -0.3154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7782 2069SOL HW2 7780 0.674 4.949 0.425 -1.1112 -0.2805 -0.8301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7783 2070SOL OW 7781 0.806 5.108 1.171 -0.0611 0.2846 -0.1756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7784 2070SOL HW1 7782 0.744 5.182 1.147 0.9579 1.3796 0.4392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7785 2070SOL HW2 7783 0.898 5.129 1.138 0.2906 -0.6240 0.1792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7786 2071SOL OW 7784 1.341 3.684 0.043 0.5515 0.0618 0.2925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7787 2071SOL HW1 7785 1.338 3.610 0.110 -0.2798 -0.4679 -0.3142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7788 2071SOL HW2 7786 1.250 3.727 0.037 0.7846 0.5229 -0.0316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7789 2072SOL OW 7787 1.328 4.202 0.729 -0.0511 0.7990 -0.9282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7790 2072SOL HW1 7788 1.359 4.278 0.785 -0.9754 0.0684 0.6425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7791 2072SOL HW2 7789 1.234 4.178 0.754 0.3106 -1.0352 -1.1707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7792 2073SOL OW 7790 1.467 3.812 0.738 -0.2599 -0.6451 0.4274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7793 2073SOL HW1 7791 1.435 3.815 0.832 0.3086 -1.1238 0.6376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7794 2073SOL HW2 7792 1.472 3.905 0.701 3.4884 0.0308 2.2140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7795 2074SOL OW 7793 7.002 4.520 0.421 0.2215 1.0010 -0.0552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7796 2074SOL HW1 7794 7.068 4.595 0.411 0.5721 0.7583 0.4061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7797 2074SOL HW2 7795 7.013 4.478 0.511 -0.5710 0.9630 0.0309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7798 2075SOL OW 7796 0.826 5.296 0.373 -0.2589 -0.2773 0.0588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7799 2075SOL HW1 7797 0.743 5.241 0.382 0.0148 -0.5159 1.2517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7800 2075SOL HW2 7798 0.813 5.383 0.420 -0.0047 -0.1122 -0.1782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7801 2076SOL OW 7799 0.414 4.101 1.867 -0.2213 0.2209 -0.9524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7802 2076SOL HW1 7800 0.355 4.140 1.938 -0.0024 -0.8860 -0.1469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7803 2076SOL HW2 7801 0.481 4.169 1.839 0.9515 0.0785 1.3100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7804 2077SOL OW 7802 7.101 4.079 3.005 0.3374 0.4035 0.2548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7805 2077SOL HW1 7803 7.151 4.013 3.061 1.0452 1.9696 1.5297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7806 2077SOL HW2 7804 7.067 4.033 2.923 2.4017 -1.1222 0.1686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7807 2078SOL OW 7805 0.022 3.903 2.469 -0.3873 0.0191 -0.3779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7808 2078SOL HW1 7806 -0.024 3.815 2.464 -1.3990 0.5012 0.2258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7809 2078SOL HW2 7807 -0.036 3.973 2.426 0.6965 0.2951 -1.4497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7810 2079SOL OW 7808 0.544 5.018 2.866 -0.1142 -0.4592 -0.0328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7811 2079SOL HW1 7809 0.482 5.037 2.790 0.0627 -0.0410 -0.0716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7812 2079SOL HW2 7810 0.583 5.103 2.900 0.9113 -0.7745 -0.3928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7813 2080SOL OW 7811 1.583 5.318 2.370 0.3338 -0.2799 0.4567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7814 2080SOL HW1 7812 1.539 5.304 2.458 -1.8893 -0.0678 -0.5447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7815 2080SOL HW2 7813 1.537 5.263 2.300 1.0200 0.7365 -0.8545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7816 2081SOL OW 7814 1.003 4.859 2.386 0.0078 0.3636 -0.0091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7817 2081SOL HW1 7815 0.960 4.794 2.449 1.3035 0.1332 0.6720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7818 2081SOL HW2 7816 1.069 4.915 2.435 -0.8004 1.9725 -0.6655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7819 2082SOL OW 7817 1.885 4.317 1.937 -0.0743 -0.3724 -0.0740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7820 2082SOL HW1 7818 1.847 4.408 1.922 0.7562 0.2720 1.5002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7821 2082SOL HW2 7819 1.817 4.248 1.910 -2.2207 0.7148 2.1045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7822 2083SOL OW 7820 0.710 4.878 3.035 -0.2771 0.1104 0.4653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7823 2083SOL HW1 7821 0.635 4.909 2.976 -1.1090 0.8254 1.8409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7824 2083SOL HW2 7822 0.796 4.918 3.003 -0.5383 -0.3544 -0.8634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7825 2084SOL OW 7823 1.097 4.427 3.632 0.6091 0.1548 0.4587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7826 2084SOL HW1 7824 1.097 4.474 3.720 -0.1790 0.7548 0.1559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7827 2084SOL HW2 7825 1.047 4.482 3.565 -0.2753 -1.0819 0.0667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7828 2085SOL OW 7826 0.881 4.636 2.525 -0.7281 -0.3577 -0.3649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7829 2085SOL HW1 7827 0.888 4.593 2.615 1.2803 1.4286 0.4105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7830 2085SOL HW2 7828 0.785 4.657 2.505 -1.0868 0.6360 2.0972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7831 2086SOL OW 7829 0.974 4.863 3.453 -0.2806 0.4247 0.1711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7832 2086SOL HW1 7830 0.971 4.925 3.531 -0.9185 0.0042 0.4979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7833 2086SOL HW2 7831 0.909 4.893 3.383 0.2127 0.7410 -0.1492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7834 2087SOL OW 7832 0.391 5.069 2.645 -0.5242 -0.3589 -0.0602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7835 2087SOL HW1 7833 0.298 5.106 2.645 0.0591 1.1891 0.2332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7836 2087SOL HW2 7834 0.445 5.116 2.575 0.0415 -1.2696 -0.2541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7837 2088SOL OW 7835 1.353 5.383 3.163 -0.3186 0.2890 0.1699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7838 2088SOL HW1 7836 1.453 5.380 3.170 -0.3796 0.6760 1.4321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7839 2088SOL HW2 7837 1.326 5.460 3.105 0.1454 -0.7105 -1.4145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7840 2089SOL OW 7838 0.387 4.028 3.270 -0.2628 -0.0334 -0.4674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7841 2089SOL HW1 7839 0.459 3.975 3.225 -0.1510 1.1825 -1.7998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7842 2089SOL HW2 7840 0.406 4.033 3.368 0.4059 -1.3437 -0.5083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7843 2090SOL OW 7841 1.572 4.009 2.499 -0.4849 0.2748 0.4131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7844 2090SOL HW1 7842 1.518 3.978 2.421 -0.4272 -1.5018 1.0124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7845 2090SOL HW2 7843 1.636 4.080 2.471 -2.4357 1.7555 -0.5154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7846 2091SOL OW 7844 0.209 5.486 2.309 0.3428 0.2264 0.4449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7847 2091SOL HW1 7845 0.269 5.415 2.271 -0.2043 -1.2814 2.2394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7848 2091SOL HW2 7846 0.123 5.444 2.338 -1.4110 2.2269 -1.4936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7849 2092SOL OW 7847 1.145 5.018 3.314 0.5885 -0.0270 -0.2663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7850 2092SOL HW1 7848 1.098 4.995 3.229 -0.7746 1.6796 -0.0141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7851 2092SOL HW2 7849 1.107 4.965 3.389 -1.5026 1.7760 0.0502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7852 2093SOL OW 7850 0.103 5.134 2.233 -0.1581 0.3971 0.7160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7853 2093SOL HW1 7851 0.049 5.064 2.186 -0.9000 0.4792 1.4265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7854 2093SOL HW2 7852 0.047 5.176 2.305 0.0784 2.1282 -0.0751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7855 2094SOL OW 7853 0.408 4.785 2.626 0.1887 0.0829 1.1503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7856 2094SOL HW1 7854 0.408 4.723 2.704 -1.9729 -0.1261 1.0378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7857 2094SOL HW2 7855 0.417 4.879 2.658 -1.2417 0.0422 1.7322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7858 2095SOL OW 7856 0.743 5.514 3.233 0.1423 0.3859 -0.0363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7859 2095SOL HW1 7857 0.650 5.483 3.218 -0.5400 1.6423 1.3525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7860 2095SOL HW2 7858 0.753 5.608 3.202 0.2436 1.0911 1.9991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7861 2096SOL OW 7859 0.857 4.619 1.916 -0.0859 0.1011 -0.1612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7862 2096SOL HW1 7860 0.855 4.705 1.865 1.1918 -0.1990 -0.7431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7863 2096SOL HW2 7861 0.901 4.634 2.005 1.7828 -0.2942 -0.9830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7864 2097SOL OW 7862 1.461 3.704 3.392 -0.1004 -0.4187 0.0649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7865 2097SOL HW1 7863 1.522 3.761 3.447 -1.2060 1.6405 -0.7307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7866 2097SOL HW2 7864 1.392 3.762 3.348 -1.8620 -2.5212 -0.0747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7867 2098SOL OW 7865 0.205 4.478 2.460 -0.2643 0.1194 -0.2078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7868 2098SOL HW1 7866 0.238 4.455 2.551 -0.4440 1.2732 0.1553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7869 2098SOL HW2 7867 0.210 4.577 2.445 1.0828 -0.1597 -1.9709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7870 2099SOL OW 7868 1.899 5.433 2.039 -0.3808 -0.3573 -0.2497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7871 2099SOL HW1 7869 1.960 5.409 2.114 -1.9318 1.2900 1.6236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7872 2099SOL HW2 7870 1.940 5.505 1.983 -0.6901 1.0235 1.2322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7873 2100SOL OW 7871 7.243 5.053 1.774 -0.0470 -0.3001 0.9572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7874 2100SOL HW1 7872 7.230 4.962 1.814 1.1246 -0.2685 1.4469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7875 2100SOL HW2 7873 7.329 5.092 1.806 0.0844 0.4605 -0.2515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7876 2101SOL OW 7874 1.754 4.522 2.379 0.6339 0.1383 -0.2649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7877 2101SOL HW1 7875 1.827 4.469 2.336 0.7402 -0.1579 0.2711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7878 2101SOL HW2 7876 1.752 4.614 2.340 0.0052 -0.4617 -1.6996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7879 2102SOL OW 7877 1.798 4.772 2.257 -0.1840 0.0329 0.2176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7880 2102SOL HW1 7878 1.894 4.759 2.232 -0.2881 -1.6598 0.5499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7881 2102SOL HW2 7879 1.789 4.848 2.320 0.7781 0.9276 -0.6889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7882 2103SOL OW 7880 0.346 4.479 3.323 -0.3451 0.1154 0.1435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7883 2103SOL HW1 7881 0.414 4.493 3.395 0.8020 -0.7109 -0.7353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7884 2103SOL HW2 7882 0.310 4.568 3.293 1.5173 0.7296 -0.4436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7885 2104SOL OW 7883 0.764 5.035 2.600 0.4355 0.0301 0.6928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7886 2104SOL HW1 7884 0.729 4.952 2.557 1.5769 0.5186 -1.3532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7887 2104SOL HW2 7885 0.707 5.113 2.572 0.0143 0.1052 1.7202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7888 2105SOL OW 7886 1.308 4.941 3.046 0.0008 -0.2492 -0.8722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7889 2105SOL HW1 7887 1.339 4.855 3.004 0.7470 0.6651 -2.2730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7890 2105SOL HW2 7888 1.373 4.970 3.115 -0.1756 -0.7146 -0.5012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7891 2106SOL OW 7889 0.782 3.743 2.439 0.7644 -0.0067 -0.1204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7892 2106SOL HW1 7890 0.857 3.779 2.383 0.1288 0.4818 -0.6637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7893 2106SOL HW2 7891 0.705 3.719 2.380 0.8337 -1.4303 0.3273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7894 2107SOL OW 7892 0.202 4.658 3.177 -0.0731 0.2434 0.1045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7895 2107SOL HW1 7893 0.250 4.714 3.110 0.1278 -0.6691 -0.5245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7896 2107SOL HW2 7894 0.186 4.566 3.140 0.4417 -0.4232 1.4614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7897 2108SOL OW 7895 1.595 4.730 2.089 0.0520 -0.0411 -0.4737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7898 2108SOL HW1 7896 1.536 4.671 2.143 -1.4724 2.1178 0.3890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7899 2108SOL HW2 7897 1.669 4.765 2.147 -0.7163 1.0934 -0.1361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7900 2109SOL OW 7898 1.407 5.634 3.442 0.3854 -0.0921 -0.0803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7901 2109SOL HW1 7899 1.383 5.553 3.495 1.9130 0.8077 2.1268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7902 2109SOL HW2 7900 1.324 5.673 3.401 -0.6878 -1.5008 0.6695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7903 2110SOL OW 7901 0.309 4.230 3.866 -0.1809 -0.7863 -0.5002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7904 2110SOL HW1 7902 0.318 4.311 3.809 0.0665 1.3277 2.3524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7905 2110SOL HW2 7903 0.234 4.173 3.832 -2.3372 2.1328 -0.9522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7906 2111SOL OW 7904 1.467 5.233 2.598 -0.3498 0.3134 -0.2596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7907 2111SOL HW1 7905 1.495 5.247 2.693 1.4757 0.7678 -0.8379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7908 2111SOL HW2 7906 1.475 5.137 2.574 -0.0608 0.3181 -0.1807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7909 2112SOL OW 7907 1.622 5.556 2.210 -0.0989 -0.6925 -0.4808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7910 2112SOL HW1 7908 1.634 5.460 2.183 -0.9961 -0.9845 0.1104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7911 2112SOL HW2 7909 1.611 5.562 2.309 -2.0166 -0.2149 -0.6807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7912 2113SOL OW 7910 0.644 4.286 2.213 0.0764 0.0084 0.1871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7913 2113SOL HW1 7911 0.697 4.371 2.218 1.0803 -0.6223 0.7005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7914 2113SOL HW2 7912 0.552 4.302 2.247 0.1146 0.9850 -0.1221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7915 2114SOL OW 7913 1.383 4.208 2.663 -0.2862 -0.4463 -0.3602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7916 2114SOL HW1 7914 1.309 4.174 2.720 -1.4638 -0.8204 -2.0499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7917 2114SOL HW2 7915 1.436 4.131 2.627 1.7699 -0.1629 1.8055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7918 2115SOL OW 7916 1.655 5.329 2.050 0.3980 -0.2397 -0.6463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7919 2115SOL HW1 7917 1.751 5.358 2.061 0.1320 0.8024 -0.9096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7920 2115SOL HW2 7918 1.610 5.390 1.985 -0.3279 -1.0181 -0.8931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7921 2116SOL OW 7919 0.855 4.007 3.128 -0.2858 0.0503 0.4185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7922 2116SOL HW1 7920 0.864 4.014 3.228 -0.9079 0.1333 0.4751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7923 2116SOL HW2 7921 0.761 4.031 3.102 -0.6109 -1.6159 -0.0300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7924 2117SOL OW 7922 1.353 4.208 3.453 -1.0436 -0.2512 -0.5487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7925 2117SOL HW1 7923 1.368 4.293 3.503 -0.7099 -0.2074 -0.7212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7926 2117SOL HW2 7924 1.440 4.171 3.422 -1.1371 -0.9100 -0.0627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7927 2118SOL OW 7925 0.809 4.383 3.342 0.3352 -0.5774 0.4683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7928 2118SOL HW1 7926 0.873 4.344 3.276 -1.4873 -3.8392 0.4480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7929 2118SOL HW2 7927 0.739 4.436 3.294 0.5125 -0.7154 0.0560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7930 2119SOL OW 7928 1.078 3.927 2.978 -0.3602 -0.0619 0.2707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7931 2119SOL HW1 7929 1.009 3.970 3.036 0.9900 0.7828 1.2959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7932 2119SOL HW2 7930 1.064 3.828 2.979 -0.7784 -0.0162 1.5249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7933 2120SOL OW 7931 1.137 4.450 2.321 -0.2218 0.2847 0.0630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7934 2120SOL HW1 7932 1.101 4.541 2.343 -1.9009 -0.6192 1.2485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7935 2120SOL HW2 7933 1.062 4.388 2.301 0.7957 -1.1790 0.5567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7936 2121SOL OW 7934 0.205 4.770 2.439 -0.8058 -0.0427 -0.3615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7937 2121SOL HW1 7935 0.284 4.772 2.500 -1.0396 0.8448 -0.0804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7938 2121SOL HW2 7936 0.149 4.851 2.454 -2.2196 -1.0561 0.0311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7939 2122SOL OW 7937 0.260 5.584 3.608 -0.0568 -0.4700 -0.2860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7940 2122SOL HW1 7938 0.258 5.498 3.556 2.8000 -0.6053 -0.3608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7941 2122SOL HW2 7939 0.212 5.572 3.694 -0.0660 -2.0243 -0.4728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7942 2123SOL OW 7940 0.838 3.920 2.150 0.0189 -0.4926 -0.4388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7943 2123SOL HW1 7941 0.856 3.887 2.057 0.2720 1.0086 -0.9488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7944 2123SOL HW2 7942 0.743 3.901 2.174 -0.7528 1.2302 -1.9623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7945 2124SOL OW 7943 1.698 4.352 3.531 -0.1509 -0.7273 -0.2970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7946 2124SOL HW1 7944 1.745 4.410 3.464 -0.1340 1.0774 1.1869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7947 2124SOL HW2 7945 1.674 4.265 3.489 2.1358 -0.6744 -1.8868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7948 2125SOL OW 7946 1.331 4.837 2.264 -0.1935 0.3925 -0.3586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7949 2125SOL HW1 7947 1.338 4.755 2.207 1.4091 1.0290 -1.1448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7950 2125SOL HW2 7948 1.313 4.916 2.206 1.8838 1.1104 -0.0914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7951 2126SOL OW 7949 0.652 3.702 2.739 -0.2976 0.3027 0.1366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7952 2126SOL HW1 7950 0.599 3.767 2.794 0.5808 0.6256 0.6074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7953 2126SOL HW2 7951 0.719 3.751 2.684 -1.5295 0.0458 -1.7079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7954 2127SOL OW 7952 1.150 5.056 2.469 0.2802 0.0402 0.1279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7955 2127SOL HW1 7953 1.178 5.152 2.474 1.3551 -0.1516 -1.3194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7956 2127SOL HW2 7954 1.178 5.009 2.552 0.8324 0.7232 0.3432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7957 2128SOL OW 7955 0.351 5.528 2.739 0.0357 0.2385 -0.2722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7958 2128SOL HW1 7956 0.420 5.458 2.718 -0.2474 0.0442 -0.5683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7959 2128SOL HW2 7957 0.359 5.555 2.835 3.2214 3.1606 -1.1435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7960 2129SOL OW 7958 1.151 5.577 3.315 0.0552 -0.3518 0.3501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7961 2129SOL HW1 7959 1.131 5.497 3.259 2.0668 1.0428 -2.6067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7962 2129SOL HW2 7960 1.085 5.649 3.295 -1.8373 -1.1490 3.1057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7963 2130SOL OW 7961 0.357 4.531 2.085 0.3350 -0.1055 -1.1476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7964 2130SOL HW1 7962 0.431 4.520 2.018 2.7872 0.0085 1.3584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7965 2130SOL HW2 7963 0.367 4.464 2.158 -1.5404 0.5090 -0.2585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7966 2131SOL OW 7964 1.542 4.555 2.541 0.4085 0.5723 -0.1351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7967 2131SOL HW1 7965 1.544 4.492 2.619 -0.5964 -0.8234 -1.2012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7968 2131SOL HW2 7966 1.617 4.533 2.478 -0.8333 -0.6052 -1.2598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7969 2132SOL OW 7967 0.751 4.959 3.301 0.9920 -0.1857 -0.2151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7970 2132SOL HW1 7968 0.751 4.892 3.227 -2.9153 0.0688 -0.6490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7971 2132SOL HW2 7969 0.740 5.051 3.263 1.2417 0.1919 0.6079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7972 2133SOL OW 7970 1.113 5.401 2.034 -0.0292 0.1946 0.0013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7973 2133SOL HW1 7971 1.054 5.400 2.115 -0.3246 -1.3645 -0.2115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7974 2133SOL HW2 7972 1.079 5.336 1.967 0.9733 0.5146 -0.8417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7975 2134SOL OW 7973 0.081 4.089 3.402 -0.4063 -0.5502 0.1097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7976 2134SOL HW1 7974 0.080 4.070 3.304 -4.0307 -1.9426 0.2672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7977 2134SOL HW2 7975 0.073 4.003 3.453 0.1690 0.2397 1.5988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7978 2135SOL OW 7976 1.748 5.047 1.806 0.2166 -0.1334 0.0722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7979 2135SOL HW1 7977 1.712 5.074 1.717 2.1092 -0.8798 -0.9746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7980 2135SOL HW2 7978 1.678 4.996 1.856 -1.6404 2.1518 -0.0032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7981 2136SOL OW 7979 0.409 5.405 2.044 0.5735 -0.4252 -0.1017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7982 2136SOL HW1 7980 0.451 5.458 2.118 1.0613 1.5021 -1.6643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7983 2136SOL HW2 7981 0.480 5.352 1.997 0.5041 -0.5755 -0.0364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7984 2137SOL OW 7982 1.420 3.967 2.282 -0.1095 -0.1357 0.1198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7985 2137SOL HW1 7983 1.400 3.879 2.239 1.8712 -1.2272 1.3037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7986 2137SOL HW2 7984 1.463 4.028 2.215 1.8050 -1.3766 0.1454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7987 2138SOL OW 7985 0.308 5.234 3.281 0.5539 -0.3588 -0.3380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7988 2138SOL HW1 7986 0.311 5.253 3.183 0.0055 -0.7127 -0.4246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7989 2138SOL HW2 7987 0.220 5.195 3.305 0.5920 -0.0407 0.3442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7990 2139SOL OW 7988 1.176 5.394 2.765 0.7723 -0.0291 -0.6951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7991 2139SOL HW1 7989 1.158 5.363 2.671 -1.4687 -0.5859 -0.1575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7992 2139SOL HW2 7990 1.181 5.315 2.825 -0.2612 0.4029 -0.0080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7993 2140SOL OW 7991 0.389 4.344 2.285 0.1565 0.4519 -0.7392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7994 2140SOL HW1 7992 0.362 4.248 2.293 1.0413 0.2772 0.3372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7995 2140SOL HW2 7993 0.335 4.399 2.349 0.8063 0.4154 -0.1473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7996 2141SOL OW 7994 1.568 3.886 3.559 -0.2463 -0.0171 0.1317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7997 2141SOL HW1 7995 1.523 3.890 3.648 -0.7632 -2.5558 0.0401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7998 2141SOL HW2 7996 1.667 3.876 3.572 -0.3231 -0.4012 0.4153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
7999 2142SOL OW 7997 0.770 3.608 1.972 0.2335 -0.1542 0.0514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8000 2142SOL HW1 7998 0.848 3.669 1.969 1.0592 -1.1666 0.3049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8001 2142SOL HW2 7999 0.755 3.568 1.881 -1.1915 1.4596 -0.4800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8002 2143SOL OW 8000 0.881 3.787 3.551 0.2753 -0.2746 0.1115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8003 2143SOL HW1 8001 0.928 3.701 3.571 -0.4845 -0.6962 0.1254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8004 2143SOL HW2 8002 0.821 3.811 3.627 1.5463 1.0360 0.7593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8005 2144SOL OW 8003 0.926 5.166 3.000 0.0817 -0.4354 -0.0195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8006 2144SOL HW1 8004 0.943 5.182 2.903 -1.1036 -1.6241 -0.4482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8007 2144SOL HW2 8005 0.986 5.094 3.033 0.5885 0.0700 0.1849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8008 2145SOL OW 8006 1.263 4.266 3.202 0.4521 0.4189 0.0534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8009 2145SOL HW1 8007 1.301 4.248 3.292 0.7748 0.9006 0.0176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8010 2145SOL HW2 8008 1.265 4.365 3.184 1.5011 0.2259 -0.9587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8011 2146SOL OW 8009 0.958 5.147 2.739 -0.0724 -0.0869 -0.2411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8012 2146SOL HW1 8010 1.040 5.099 2.707 0.4655 -0.6756 1.8473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8013 2146SOL HW2 8011 0.878 5.115 2.688 0.6427 -1.3970 -0.5962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8014 2147SOL OW 8012 1.019 4.185 2.698 0.2495 -0.0086 -0.6330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8015 2147SOL HW1 8013 0.980 4.191 2.606 0.4821 -2.3510 -0.9425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8016 2147SOL HW2 8014 1.087 4.112 2.701 2.1223 1.6733 0.7963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8017 2148SOL OW 8015 0.561 4.044 2.425 0.2918 -0.0031 0.2533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8018 2148SOL HW1 8016 0.485 3.992 2.464 0.6686 0.0683 1.1051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8019 2148SOL HW2 8017 0.552 4.046 2.325 -0.6773 -0.2163 0.3211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8020 2149SOL OW 8018 1.558 4.877 1.868 -0.4665 0.4019 0.0870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8021 2149SOL HW1 8019 1.569 4.809 1.939 0.2144 0.7062 0.2811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8022 2149SOL HW2 8020 1.476 4.931 1.886 -2.0099 -1.4564 -1.0045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8023 2150SOL OW 8021 0.213 3.744 2.272 0.4782 -0.0875 -0.0668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8024 2150SOL HW1 8022 0.216 3.810 2.347 0.3218 -0.3663 0.1829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8025 2150SOL HW2 8023 0.293 3.685 2.275 0.1055 -0.5834 0.3226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8026 2151SOL OW 8024 1.036 3.880 2.366 -0.1014 -0.1397 0.3905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8027 2151SOL HW1 8025 0.981 3.906 2.287 -0.9985 -1.2609 0.6146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8028 2151SOL HW2 8026 1.091 3.958 2.395 -0.0453 0.3995 -1.0883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8029 2152SOL OW 8027 1.003 4.300 3.130 -0.1767 -0.1332 -0.4022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8030 2152SOL HW1 8028 0.955 4.213 3.118 0.6634 -0.3077 -2.9598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8031 2152SOL HW2 8029 1.095 4.283 3.165 -0.9322 0.0175 1.8697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8032 2153SOL OW 8030 1.226 5.315 2.504 -0.4395 0.0154 -0.3898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8033 2153SOL HW1 8031 1.251 5.393 2.448 -0.7107 1.9539 2.0162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8034 2153SOL HW2 8032 1.307 5.279 2.551 -0.8525 1.4710 1.5621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8035 2154SOL OW 8033 0.622 4.703 2.468 0.0412 -0.1727 0.2579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8036 2154SOL HW1 8034 0.537 4.717 2.519 1.5284 0.1433 2.7954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8037 2154SOL HW2 8035 0.602 4.705 2.370 -2.7466 0.6469 0.7493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8038 2155SOL OW 8036 1.246 5.595 2.450 -0.7268 -0.1303 -0.3262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8039 2155SOL HW1 8037 1.180 5.617 2.379 -1.2402 -0.2956 0.0993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8040 2155SOL HW2 8038 1.203 5.603 2.540 -0.2247 -0.4290 -0.0544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8041 2156SOL OW 8039 1.179 4.227 1.749 -0.4267 0.4226 0.3851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8042 2156SOL HW1 8040 1.119 4.307 1.752 -0.1675 0.6010 2.6991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8043 2156SOL HW2 8041 1.263 4.251 1.700 -1.2037 0.9291 -0.7206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8044 2157SOL OW 8042 0.155 4.422 3.018 -0.2518 -0.3332 -0.1501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8045 2157SOL HW1 8043 0.139 4.407 2.921 0.6922 -1.0065 -0.2090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8046 2157SOL HW2 8044 0.248 4.394 3.042 -0.9330 -1.5928 1.2295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8047 2158SOL OW 8045 0.485 3.855 2.922 0.7867 0.3796 0.4198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8048 2158SOL HW1 8046 0.503 3.814 3.011 0.7917 -0.8753 -0.1398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8049 2158SOL HW2 8047 0.388 3.843 2.899 0.9649 -0.1206 -0.1245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8050 2159SOL OW 8048 0.824 4.158 2.475 -0.2342 -0.0141 -0.3592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8051 2159SOL HW1 8049 0.727 4.133 2.480 0.3355 -2.2557 0.9871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8052 2159SOL HW2 8050 0.852 4.162 2.379 -1.8413 1.6060 -0.8054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8053 2160SOL OW 8051 1.119 3.782 2.620 0.2108 0.1676 0.2218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8054 2160SOL HW1 8052 1.088 3.814 2.531 -2.0716 0.7337 1.1486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8055 2160SOL HW2 8053 1.060 3.708 2.652 0.3940 0.6114 1.6742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8056 2161SOL OW 8054 1.509 4.985 2.481 0.0878 0.1534 0.1548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8057 2161SOL HW1 8055 1.450 4.929 2.423 -1.4356 0.2446 1.5303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8058 2161SOL HW2 8056 1.595 5.003 2.434 -0.0699 -1.8669 -1.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8059 2162SOL OW 8057 1.578 4.379 2.753 0.4504 -0.3025 0.2926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8060 2162SOL HW1 8058 1.530 4.318 2.690 1.1789 -1.1764 0.5482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8061 2162SOL HW2 8059 1.617 4.325 2.828 -0.4594 0.7266 1.5392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8062 2163SOL OW 8060 1.912 4.341 2.241 0.6231 0.0649 0.5699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8063 2163SOL HW1 8061 2.010 4.350 2.225 0.6819 0.0849 0.9190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8064 2163SOL HW2 8062 1.866 4.312 2.157 0.7307 1.4984 -0.0287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8065 2164SOL OW 8063 0.481 5.005 2.038 0.2895 -0.0073 0.0271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8066 2164SOL HW1 8064 0.399 5.057 2.061 0.5824 0.4266 0.0945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8067 2164SOL HW2 8065 0.455 4.912 2.012 -0.2836 0.2921 -0.5172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8068 2165SOL OW 8066 1.787 5.015 2.424 -0.5483 -0.4270 -0.1926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8069 2165SOL HW1 8067 1.851 4.986 2.495 -1.1810 -0.7676 0.2606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8070 2165SOL HW2 8068 1.791 5.114 2.413 -1.0131 -0.2619 0.9169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8071 2166SOL OW 8069 1.349 4.293 1.995 0.1213 0.3197 0.1443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8072 2166SOL HW1 8070 1.270 4.279 2.054 1.0180 0.2576 1.3682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8073 2166SOL HW2 8071 1.384 4.205 1.964 -1.1995 0.3844 -1.7098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8074 2167SOL OW 8072 0.590 3.747 2.186 -0.3190 0.1462 0.0318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8075 2167SOL HW1 8073 0.634 3.688 2.118 2.1070 1.4500 0.3836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8076 2167SOL HW2 8074 0.536 3.817 2.139 -0.6020 -0.3959 -0.4642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8077 2168SOL OW 8075 1.729 5.016 3.420 -0.0695 0.0722 0.0737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8078 2168SOL HW1 8076 1.744 4.927 3.463 -2.5918 -0.6976 -0.4748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8079 2168SOL HW2 8077 1.795 5.082 3.456 1.0649 -1.6909 1.4178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8080 2169SOL OW 8078 1.044 4.914 3.064 0.8655 -0.6055 -0.1869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8081 2169SOL HW1 8079 1.000 4.826 3.083 -0.2927 -0.5988 -2.4476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8082 2169SOL HW2 8080 1.142 4.900 3.050 1.0548 -1.1770 1.5130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8083 2170SOL OW 8081 1.638 5.329 3.316 0.0149 0.4339 0.1854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8084 2170SOL HW1 8082 1.711 5.355 3.253 1.5947 -0.0857 1.7166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8085 2170SOL HW2 8083 1.596 5.244 3.285 1.8552 -0.6890 0.6320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8086 2171SOL OW 8084 1.261 5.217 2.975 -0.8727 0.8768 0.5569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8087 2171SOL HW1 8085 1.260 5.132 3.027 -1.4366 -0.4710 -1.5494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8088 2171SOL HW2 8086 1.271 5.294 3.038 -2.2215 -0.5914 2.7072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8089 2172SOL OW 8087 1.591 4.837 2.714 -0.5657 0.3455 -0.0635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8090 2172SOL HW1 8088 1.506 4.786 2.731 0.1701 -1.0098 -0.3153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8091 2172SOL HW2 8089 1.580 4.892 2.632 -1.1601 0.0630 -0.1846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8092 2173SOL OW 8090 1.037 3.678 3.280 -0.0257 0.0888 0.2781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8093 2173SOL HW1 8091 1.048 3.676 3.181 0.6595 -1.4528 0.3679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8094 2173SOL HW2 8092 1.096 3.749 3.318 -1.8002 2.1240 -0.5489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8095 2174SOL OW 8093 0.987 4.573 3.433 -0.1010 -0.0417 -0.0001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8096 2174SOL HW1 8094 0.969 4.672 3.441 0.5773 0.1689 -0.9683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8097 2174SOL HW2 8095 0.918 4.532 3.374 -0.3930 -0.1547 0.4168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8098 2175SOL OW 8096 0.822 4.495 2.236 -0.2477 0.6007 0.0468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8099 2175SOL HW1 8097 0.790 4.508 2.330 0.8072 0.5981 0.4134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8100 2175SOL HW2 8098 0.908 4.544 2.222 0.9740 -1.4468 -0.1275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8101 2176SOL OW 8099 0.524 4.444 3.131 0.1438 -0.0593 0.0029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8102 2176SOL HW1 8100 0.472 4.453 3.216 -2.0207 -1.6454 -1.0597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8103 2176SOL HW2 8101 0.478 4.379 3.071 0.7419 2.1236 -3.0444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8104 2177SOL OW 8102 1.298 4.006 3.117 0.2262 0.1403 -0.3061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8105 2177SOL HW1 8103 1.293 4.104 3.136 -0.9454 -0.2015 1.2725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8106 2177SOL HW2 8104 1.216 3.977 3.067 0.5224 -0.0664 -0.6804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8107 2178SOL OW 8105 7.110 5.320 3.314 -0.0296 -0.5589 -0.4403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8108 2178SOL HW1 8106 7.016 5.294 3.293 -0.0231 -1.8035 0.9317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8109 2178SOL HW2 8107 7.115 5.355 3.408 0.7531 0.2079 -0.7548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8110 2179SOL OW 8108 0.583 4.659 2.206 -0.1913 0.0979 0.1313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8111 2179SOL HW1 8109 0.490 4.633 2.179 -1.1220 -0.1009 3.1696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8112 2179SOL HW2 8110 0.649 4.601 2.158 -1.4353 1.1133 -3.1213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8113 2180SOL OW 8111 0.830 3.927 2.644 -0.1139 -0.4728 -0.1508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8114 2180SOL HW1 8112 0.814 4.016 2.602 -2.1144 -0.8175 -0.1987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8115 2180SOL HW2 8113 0.826 3.856 2.574 0.1327 -0.7304 0.0921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8116 2181SOL OW 8114 1.199 5.187 2.217 -0.1084 0.1024 0.2042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8117 2181SOL HW1 8115 1.295 5.217 2.220 -0.1674 0.3535 -0.3828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8118 2181SOL HW2 8116 1.177 5.139 2.302 0.5893 -0.1089 0.2729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8119 2182SOL OW 8117 1.517 5.257 2.893 -0.1777 1.4285 0.3487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8120 2182SOL HW1 8118 1.541 5.341 2.942 0.6881 0.6734 1.2692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8121 2182SOL HW2 8119 1.423 5.231 2.916 0.0978 1.2776 1.3710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8122 2183SOL OW 8120 1.643 4.220 2.329 -0.1818 -0.1501 -0.5640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8123 2183SOL HW1 8121 1.561 4.277 2.337 0.2669 0.2481 2.4159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8124 2183SOL HW2 8122 1.722 4.277 2.308 -0.3368 -0.2641 -1.4948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8125 2184SOL OW 8123 0.321 5.284 3.014 0.3957 0.1528 -0.3220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8126 2184SOL HW1 8124 0.275 5.196 3.023 -1.6081 1.2325 0.8948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8127 2184SOL HW2 8125 0.410 5.271 2.971 0.0555 -2.4024 -0.4271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8128 2185SOL OW 8126 0.506 4.527 3.547 0.5222 0.0648 -0.5953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8129 2185SOL HW1 8127 0.595 4.487 3.570 1.2062 2.2215 0.9253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8130 2185SOL HW2 8128 0.439 4.503 3.617 0.9093 1.3359 0.2670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8131 2186SOL OW 8129 1.861 4.537 3.398 -0.3421 -0.2256 0.5700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8132 2186SOL HW1 8130 1.832 4.622 3.441 0.2656 0.2059 0.1451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8133 2186SOL HW2 8131 1.854 4.546 3.299 2.7857 0.5320 0.3132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8134 2187SOL OW 8132 1.269 3.734 3.665 0.2150 0.0481 0.1157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8135 2187SOL HW1 8133 1.228 3.821 3.638 0.7400 0.7457 1.5222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8136 2187SOL HW2 8134 1.239 3.662 3.601 -2.1680 0.7616 0.3582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8137 2188SOL OW 8135 0.485 4.039 3.550 -0.2143 0.1506 -0.0462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8138 2188SOL HW1 8136 0.466 3.941 3.558 1.2520 -0.1269 0.4759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8139 2188SOL HW2 8137 0.539 4.069 3.629 2.4514 0.5297 -1.8599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8140 2189SOL OW 8138 0.462 4.610 2.852 -0.2989 0.7931 0.3780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8141 2189SOL HW1 8139 0.427 4.664 2.929 1.2574 0.6962 1.2043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8142 2189SOL HW2 8140 0.547 4.565 2.879 -0.9046 -1.1006 -0.6969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8143 2190SOL OW 8141 1.377 4.449 2.971 -0.2886 0.3583 -0.0763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8144 2190SOL HW1 8142 1.293 4.420 2.926 0.0892 0.5647 -0.9395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8145 2190SOL HW2 8143 1.449 4.380 2.957 -0.0467 0.6260 -0.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8146 2191SOL OW 8144 1.154 4.139 2.175 0.3327 -0.2096 0.0294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8147 2191SOL HW1 8145 1.186 4.121 2.268 0.2231 -0.0771 0.0933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8148 2191SOL HW2 8146 1.054 4.141 2.174 0.2834 -1.5790 -0.3480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8149 2192SOL OW 8147 0.132 3.987 3.138 -0.0099 -0.1998 0.2866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8150 2192SOL HW1 8148 0.219 3.996 3.186 -0.3780 1.5429 0.7039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8151 2192SOL HW2 8149 0.129 3.899 3.089 2.5760 0.3025 -0.9363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8152 2193SOL OW 8150 0.046 5.131 3.260 -0.3019 -0.4052 0.7399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8153 2193SOL HW1 8151 0.023 5.038 3.290 -2.2776 -0.4189 -0.6055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8154 2193SOL HW2 8152 -0.026 5.194 3.289 0.4814 0.5388 0.6834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8155 2194SOL OW 8153 0.797 4.216 2.857 -0.1400 0.0497 0.4618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8156 2194SOL HW1 8154 0.880 4.207 2.802 -0.6788 1.1426 -0.5657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8157 2194SOL HW2 8155 0.719 4.178 2.806 -0.5022 0.3215 0.8060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8158 2195SOL OW 8156 1.820 4.779 3.540 -0.2194 0.0798 0.3092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8159 2195SOL HW1 8157 1.919 4.778 3.552 -0.2014 3.6311 1.7061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8160 2195SOL HW2 8158 1.776 4.786 3.630 -1.7914 -1.3321 -0.2936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8161 2196SOL OW 8159 0.309 3.912 2.484 0.0357 0.1626 -0.3294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8162 2196SOL HW1 8160 0.223 3.938 2.528 0.0257 0.5849 -0.5960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8163 2196SOL HW2 8161 0.352 3.839 2.537 0.5487 1.3658 0.9995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8164 2197SOL OW 8162 1.712 4.049 2.106 -0.4377 -1.0786 0.2844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8165 2197SOL HW1 8163 1.811 4.053 2.090 -0.6624 -0.1025 -1.0485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8166 2197SOL HW2 8164 1.693 4.076 2.200 0.4673 0.2734 0.1107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8167 2198SOL OW 8165 1.128 4.365 2.876 -0.0957 0.2873 -0.3545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8168 2198SOL HW1 8166 1.098 4.344 2.969 0.7470 0.7342 0.0397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8169 2198SOL HW2 8167 1.087 4.301 2.811 -0.4362 -0.2311 0.3661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8170 2199SOL OW 8168 1.179 5.274 3.368 0.9558 -0.4913 -0.4655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8171 2199SOL HW1 8169 1.240 5.322 3.306 -0.4374 -0.7397 -2.1198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8172 2199SOL HW2 8170 1.161 5.182 3.333 0.2877 -0.7123 0.4080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8173 2200SOL OW 8171 1.916 5.183 3.513 0.1268 -0.3365 -0.0422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8174 2200SOL HW1 8172 1.966 5.268 3.495 -0.3482 -0.1493 -0.5194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8175 2200SOL HW2 8173 1.940 5.149 3.604 -0.1712 0.6623 0.4301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8176 2201SOL OW 8174 0.661 4.641 3.319 0.6229 0.2194 0.2079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8177 2201SOL HW1 8175 0.583 4.690 3.281 0.3306 0.1426 0.6988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8178 2201SOL HW2 8176 0.642 4.617 3.415 0.3452 -1.6733 -0.2725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8179 2202SOL OW 8177 1.480 4.068 1.943 -0.5382 -0.3331 0.1044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8180 2202SOL HW1 8178 1.479 3.992 1.877 2.8248 0.6508 -1.3414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8181 2202SOL HW2 8179 1.559 4.057 2.003 -1.6198 0.6223 1.7544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8182 2203SOL OW 8180 1.326 4.527 1.885 -0.4830 -0.3815 -0.5563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8183 2203SOL HW1 8181 1.324 4.428 1.899 -1.0443 -0.3120 -0.0974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8184 2203SOL HW2 8182 1.349 4.547 1.789 1.8856 -0.8835 -0.1484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8185 2204SOL OW 8183 1.198 5.010 2.728 -0.0104 -0.0014 -0.5122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8186 2204SOL HW1 8184 1.178 4.912 2.734 2.4990 -0.5221 0.2915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8187 2204SOL HW2 8185 1.287 5.029 2.768 -0.5081 2.6808 -0.4708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8188 2205SOL OW 8186 0.274 4.423 2.732 -0.0682 0.1017 -0.2550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8189 2205SOL HW1 8187 0.349 4.469 2.780 -0.9613 0.8426 0.4738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8190 2205SOL HW2 8188 0.285 4.324 2.740 0.9949 0.1941 -0.4351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8191 2206SOL OW 8189 0.307 4.152 2.777 -0.0619 -0.1810 0.3913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8192 2206SOL HW1 8190 0.320 4.131 2.874 -1.1035 0.5337 0.7039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8193 2206SOL HW2 8191 0.225 4.104 2.743 -0.8997 1.1629 0.4191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8194 2207SOL OW 8192 1.228 4.021 3.592 0.0906 0.6706 0.6477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8195 2207SOL HW1 8193 1.137 4.057 3.614 -0.5372 0.0855 -0.8191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8196 2207SOL HW2 8194 1.280 4.089 3.541 -0.0991 0.4665 0.1774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8197 2208SOL OW 8195 1.227 3.867 3.332 0.2796 -0.0631 -0.0687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8198 2208SOL HW1 8196 1.162 3.934 3.367 -1.5201 -0.6794 -2.0377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8199 2208SOL HW2 8197 1.270 3.902 3.249 0.9911 -0.4619 0.1248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8200 2209SOL OW 8198 7.128 4.787 1.870 0.0960 0.6242 0.0486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8201 2209SOL HW1 8199 7.030 4.803 1.862 -0.2680 0.4248 3.0097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8202 2209SOL HW2 8200 7.145 4.689 1.881 0.3674 0.8502 1.8501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8203 2210SOL OW 8201 0.103 5.408 2.895 -0.0911 0.4642 0.4924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8204 2210SOL HW1 8202 0.177 5.371 2.952 -0.9433 0.6384 1.7745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8205 2210SOL HW2 8203 0.132 5.412 2.800 1.0366 -0.7969 0.7596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8206 2211SOL OW 8204 0.552 5.357 2.691 0.2043 0.0448 -0.0077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8207 2211SOL HW1 8205 0.614 5.339 2.767 1.1656 -1.2209 -1.0570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8208 2211SOL HW2 8206 0.586 5.313 2.609 -2.4276 -1.3012 -0.4970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8209 2212SOL OW 8207 0.715 4.489 2.948 0.1922 -0.4270 0.2221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8210 2212SOL HW1 8208 0.645 4.491 3.019 -1.8866 -1.6142 -1.6424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8211 2212SOL HW2 8209 0.772 4.408 2.960 -0.6391 -1.0444 0.1487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8212 2213SOL OW 8210 7.173 4.327 2.952 -0.3558 -0.0404 0.6985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8213 2213SOL HW1 8211 7.148 4.236 2.984 -1.3637 0.0997 0.3550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8214 2213SOL HW2 8212 7.251 4.361 3.004 0.2032 -1.2153 0.6279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8215 2214SOL OW 8213 0.102 4.362 3.447 0.0701 0.4468 0.1577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8216 2214SOL HW1 8214 0.101 4.262 3.441 0.3236 0.4455 0.0851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8217 2214SOL HW2 8215 0.188 4.396 3.407 0.2096 0.6644 0.6336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8218 2215SOL OW 8216 1.184 4.541 3.240 -0.3341 0.7412 -0.6779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8219 2215SOL HW1 8217 1.141 4.539 3.330 1.1757 0.1095 0.0610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8220 2215SOL HW2 8218 1.135 4.605 3.181 -1.3643 1.1500 0.5823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8221 2216SOL OW 8219 0.890 4.176 2.198 -0.0230 0.3711 -0.2431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8222 2216SOL HW1 8220 0.855 4.086 2.171 -0.3528 0.2533 0.5300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8223 2216SOL HW2 8221 0.818 4.244 2.187 0.2653 0.5693 -0.9457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8224 2217SOL OW 8222 1.659 4.204 2.941 0.7333 -0.1228 0.1629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8225 2217SOL HW1 8223 1.609 4.121 2.964 -1.8454 1.5231 0.8459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8226 2217SOL HW2 8224 1.697 4.245 3.024 -1.5938 1.5052 0.5172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8227 2218SOL OW 8225 0.081 5.184 3.626 0.5619 0.1825 -0.1955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8228 2218SOL HW1 8226 0.142 5.261 3.610 0.6149 0.1910 0.0408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8229 2218SOL HW2 8227 0.130 5.098 3.611 0.8906 0.1733 0.8603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8230 2219SOL OW 8228 0.628 4.060 3.016 -0.0296 -0.4110 0.0993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8231 2219SOL HW1 8229 0.576 3.983 2.980 0.3798 -0.6761 0.0705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8232 2219SOL HW2 8230 0.709 4.076 2.959 0.4224 -0.5984 0.6843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8233 2220SOL OW 8231 1.005 5.413 3.107 -0.2276 0.2944 1.2403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8234 2220SOL HW1 8232 0.983 5.328 3.059 -1.5257 0.4069 1.6136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8235 2220SOL HW2 8233 0.963 5.490 3.059 -2.4710 0.3135 3.0603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8236 2221SOL OW 8234 0.534 4.039 2.156 -0.6429 0.0963 0.7786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8237 2221SOL HW1 8235 0.586 4.124 2.145 -0.4065 -0.1925 -0.4699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8238 2221SOL HW2 8236 0.440 4.061 2.181 -0.6434 0.7462 0.2470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8239 2222SOL OW 8237 0.078 4.864 3.351 0.0117 -0.3204 -0.2951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8240 2222SOL HW1 8238 0.095 4.828 3.443 -1.2033 1.8981 0.9231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8241 2222SOL HW2 8239 0.143 4.825 3.286 2.6502 -0.0395 1.9964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8242 2223SOL OW 8240 1.378 4.710 2.886 -0.5848 -0.1206 -0.0946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8243 2223SOL HW1 8241 1.395 4.612 2.892 0.1060 -0.1906 -2.1669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8244 2223SOL HW2 8242 1.289 4.725 2.843 -0.0431 0.1200 -1.1635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8245 2224SOL OW 8243 1.377 4.587 2.151 0.0650 -0.1035 0.0916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8246 2224SOL HW1 8244 1.327 4.522 2.209 -0.6388 -0.4013 -0.8357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8247 2224SOL HW2 8245 1.369 4.560 2.056 -0.4950 1.5199 -0.3576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8248 2225SOL OW 8246 1.889 5.477 2.936 -0.4853 0.3002 -0.1250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8249 2225SOL HW1 8247 1.878 5.545 2.863 -2.1913 1.2284 0.9365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8250 2225SOL HW2 8248 1.858 5.388 2.903 1.2483 0.0945 -1.3492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8251 2226SOL OW 8249 1.507 5.570 2.805 -0.5387 -0.0393 -0.1535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8252 2226SOL HW1 8250 1.520 5.534 2.713 -0.9148 1.4793 -0.8289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8253 2226SOL HW2 8251 1.587 5.547 2.861 0.5162 0.5617 -1.3706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8254 2227SOL OW 8252 0.160 5.037 3.036 -0.2783 0.2088 0.1291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8255 2227SOL HW1 8253 0.117 5.063 3.123 1.1469 -0.1621 0.9754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8256 2227SOL HW2 8254 0.117 4.954 3.002 0.3232 -0.6677 1.4281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8257 2228SOL OW 8255 0.922 5.401 3.394 0.0941 0.4086 0.2872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8258 2228SOL HW1 8256 0.870 5.445 3.321 1.2514 1.9995 0.3713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8259 2228SOL HW2 8257 1.012 5.373 3.360 0.2360 0.1769 0.8343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8260 2229SOL OW 8258 1.984 3.938 2.121 0.3362 0.4248 0.0196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8261 2229SOL HW1 8259 2.033 3.893 2.045 -1.6516 0.1462 -1.1569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8262 2229SOL HW2 8260 1.948 3.868 2.183 -0.7425 0.4946 -0.5214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8263 2230SOL OW 8261 1.468 5.168 2.153 1.0854 0.3465 -0.1542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8264 2230SOL HW1 8262 1.423 5.104 2.091 0.3455 -0.3251 1.0430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8265 2230SOL HW2 8263 1.546 5.210 2.106 1.0397 -0.7386 -1.2646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8266 2231SOL OW 8264 0.289 5.329 3.545 0.0670 -0.2630 0.3931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8267 2231SOL HW1 8265 0.345 5.280 3.612 0.3502 -1.7553 -0.8984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8268 2231SOL HW2 8266 0.313 5.299 3.453 -1.9062 0.0800 -0.2688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8269 2232SOL OW 8267 1.292 4.674 2.511 0.2190 0.3209 0.6152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8270 2232SOL HW1 8268 1.372 4.617 2.529 0.7447 0.3481 -1.4024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8271 2232SOL HW2 8269 1.301 4.717 2.421 -2.3731 -0.2815 -0.0378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8272 2233SOL OW 8270 0.386 4.823 3.048 0.3111 -0.3857 -0.8076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8273 2233SOL HW1 8271 0.392 4.838 3.147 0.2133 -0.1180 -0.8432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8274 2233SOL HW2 8272 0.450 4.883 3.001 1.1412 -1.2672 -0.8434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8275 2234SOL OW 8273 0.613 5.240 1.978 -0.6910 -0.5176 0.2005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8276 2234SOL HW1 8274 0.613 5.269 1.882 -1.3048 0.8386 0.5829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8277 2234SOL HW2 8275 0.579 5.147 1.984 -0.8657 -0.5458 -0.8815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8278 2235SOL OW 8276 1.622 5.472 3.045 -0.0695 0.1831 -0.3777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8279 2235SOL HW1 8277 1.721 5.470 3.036 0.0574 -1.3694 0.8575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8280 2235SOL HW2 8278 1.594 5.557 3.089 0.8453 0.1028 0.3796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8281 2236SOL OW 8279 1.890 3.869 2.774 0.2627 -0.0780 0.2179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8282 2236SOL HW1 8280 1.927 3.777 2.763 0.7666 0.2397 -0.8113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8283 2236SOL HW2 8281 1.794 3.869 2.746 0.2672 -0.2814 0.1986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8284 2237SOL OW 8282 0.093 3.992 2.707 0.4356 0.0119 -0.2155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8285 2237SOL HW1 8283 0.065 3.955 2.619 -0.6494 0.6043 -0.1330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8286 2237SOL HW2 8284 0.019 3.980 2.773 2.0478 -2.5609 1.3052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8287 2238SOL OW 8285 1.048 5.265 1.807 0.6661 0.2672 0.3858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8288 2238SOL HW1 8286 1.107 5.298 1.734 1.0706 -1.1286 0.0578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8289 2238SOL HW2 8287 0.973 5.212 1.769 1.0473 -0.7318 0.9732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8290 2239SOL OW 8288 0.903 4.655 3.160 -0.3462 0.0101 -0.7394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8291 2239SOL HW1 8289 0.819 4.657 3.214 -0.0252 -0.3399 -0.2186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8292 2239SOL HW2 8290 0.883 4.618 3.069 -0.4867 -1.5101 -0.1202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8293 2240SOL OW 8291 1.010 4.692 2.160 -0.3728 0.0858 -0.4814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8294 2240SOL HW1 8292 1.060 4.741 2.089 1.4489 0.0120 0.6677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8295 2240SOL HW2 8293 0.992 4.753 2.237 -0.4838 -0.3442 -0.1589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8296 2241SOL OW 8294 1.305 5.228 1.647 0.0606 0.5976 -0.2068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8297 2241SOL HW1 8295 1.247 5.186 1.576 -0.2571 1.5380 -0.5120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8298 2241SOL HW2 8296 1.373 5.161 1.676 0.3778 0.2676 -1.6040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8299 2242SOL OW 8297 0.389 4.894 3.320 -0.0254 -0.2881 0.6333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8300 2242SOL HW1 8298 0.394 4.994 3.323 0.7582 -0.3002 0.1891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8301 2242SOL HW2 8299 0.402 4.857 3.412 -1.0502 0.0375 0.9167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8302 2243SOL OW 8300 1.688 5.107 3.072 -0.4186 -0.0389 0.5182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8303 2243SOL HW1 8301 1.636 5.076 3.151 -1.1823 -0.3428 -0.0912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8304 2243SOL HW2 8302 1.631 5.167 3.016 -0.0960 -0.3145 -0.1203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8305 2244SOL OW 8303 1.150 4.760 2.730 0.4056 0.1097 -0.0025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8306 2244SOL HW1 8304 1.059 4.721 2.717 0.9349 -1.2594 0.2372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8307 2244SOL HW2 8305 1.209 4.733 2.654 0.6168 1.0400 -0.1910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8308 2245SOL OW 8306 1.219 4.002 2.753 -0.3047 -0.0470 -0.7529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8309 2245SOL HW1 8307 1.187 3.931 2.689 0.8557 -0.9072 -0.4001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8310 2245SOL HW2 8308 1.202 3.972 2.847 0.0524 0.2058 -0.6074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8311 2246SOL OW 8309 0.646 5.057 2.267 -1.1801 -0.1119 0.0501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8312 2246SOL HW1 8310 0.742 5.034 2.258 -1.5916 -3.6024 2.2338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8313 2246SOL HW2 8311 0.598 5.036 2.182 -0.0887 1.8333 -1.1162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8314 2247SOL OW 8312 1.831 4.036 3.297 0.0814 0.0486 -0.2428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8315 2247SOL HW1 8313 1.902 4.106 3.298 1.7779 -1.6207 -0.2908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8316 2247SOL HW2 8314 1.841 3.979 3.216 -0.7575 -0.7887 0.2260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8317 2248SOL OW 8315 0.268 5.162 2.037 -0.0217 0.5411 0.5312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8318 2248SOL HW1 8316 0.314 5.249 2.056 0.4704 0.3806 0.0761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8319 2248SOL HW2 8317 0.204 5.142 2.112 -0.9188 1.8050 0.1302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8320 2249SOL OW 8318 0.275 4.932 3.647 0.6411 -0.1878 -0.2408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8321 2249SOL HW1 8319 0.199 4.872 3.672 0.4367 0.8310 1.8184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8322 2249SOL HW2 8320 0.348 4.877 3.607 -0.1546 -1.5835 0.1321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8323 2250SOL OW 8321 0.748 3.673 3.345 0.3784 0.3897 0.4582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8324 2250SOL HW1 8322 0.829 3.661 3.287 0.2351 0.4876 0.2405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8325 2250SOL HW2 8323 0.775 3.719 3.430 0.9045 -1.2196 1.2066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8326 2251SOL OW 8324 0.051 3.991 1.669 0.4188 0.3249 0.0578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8327 2251SOL HW1 8325 0.090 3.901 1.690 -0.5772 -0.1760 -0.1569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8328 2251SOL HW2 8326 -0.012 3.982 1.592 1.0370 1.3993 -0.5933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8329 2252SOL OW 8327 1.436 4.630 3.258 -0.6619 -0.1163 -0.0851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8330 2252SOL HW1 8328 1.354 4.579 3.235 -0.0973 -1.1292 0.0878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8331 2252SOL HW2 8329 1.502 4.623 3.184 -0.7357 0.7149 -0.2358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8332 2253SOL OW 8330 7.219 3.645 2.347 -0.0918 -0.0443 -0.1305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8333 2253SOL HW1 8331 7.308 3.686 2.327 -0.5635 0.6752 -0.7672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8334 2253SOL HW2 8332 7.223 3.599 2.436 0.6491 0.7624 0.2634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8335 2254SOL OW 8333 1.315 5.012 2.003 0.3471 -0.3628 0.4802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8336 2254SOL HW1 8334 1.270 4.927 1.975 2.6905 -1.2884 -0.7512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8337 2254SOL HW2 8335 1.246 5.079 2.030 -1.6941 -1.9331 -0.5776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8338 2255SOL OW 8336 0.735 4.432 3.608 0.2398 -0.0943 -0.2624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8339 2255SOL HW1 8337 0.769 4.393 3.522 1.6358 -0.5731 0.4582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8340 2255SOL HW2 8338 0.751 4.366 3.682 0.7102 1.0033 0.6421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8341 2256SOL OW 8339 1.521 5.636 2.468 0.3411 0.2369 -0.1282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8342 2256SOL HW1 8340 1.552 5.709 2.528 0.7588 -1.1658 1.4284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8343 2256SOL HW2 8341 1.421 5.633 2.466 0.3168 1.0651 -0.5095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8344 2257SOL OW 8342 0.920 4.037 3.416 0.4953 0.4579 -0.2529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8345 2257SOL HW1 8343 0.941 4.100 3.490 -0.4934 0.2063 0.2622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8346 2257SOL HW2 8344 0.917 3.943 3.452 -3.2165 0.6020 0.1737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8347 2258SOL OW 8345 1.512 5.069 3.267 0.3875 -0.2110 0.0107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8348 2258SOL HW1 8346 1.420 5.043 3.295 0.0774 1.4943 0.6894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8349 2258SOL HW2 8347 1.575 5.057 3.344 0.1853 1.2255 0.4276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8350 2259SOL OW 8348 0.473 5.460 3.274 -0.4789 -0.4752 0.3624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8351 2259SOL HW1 8349 0.460 5.366 3.305 0.6588 -1.0664 -0.8492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8352 2259SOL HW2 8350 0.387 5.495 3.238 -1.2373 -0.5752 1.9714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8353 2260SOL OW 8351 1.780 4.627 2.839 0.3490 -0.2612 0.0017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8354 2260SOL HW1 8352 1.730 4.544 2.813 -0.7654 0.6163 -0.7539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8355 2260SOL HW2 8353 1.752 4.703 2.780 0.5587 0.9163 1.3619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8356 2261SOL OW 8354 1.225 4.074 2.441 0.1537 -0.1356 0.1886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8357 2261SOL HW1 8355 1.292 4.015 2.397 -0.1216 0.4336 -1.0313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8358 2261SOL HW2 8356 1.272 4.153 2.482 0.4790 -0.9780 1.5071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8359 2262SOL OW 8357 0.572 4.171 2.696 -0.1601 0.2498 0.5988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8360 2262SOL HW1 8358 0.566 4.140 2.601 -0.6895 1.1253 0.3319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8361 2262SOL HW2 8359 0.486 4.152 2.742 0.1357 -0.2733 0.9402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8362 2263SOL OW 8360 1.587 4.102 3.412 -0.4311 0.1165 0.4572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8363 2263SOL HW1 8361 1.671 4.081 3.362 -0.1382 0.3058 0.8700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8364 2263SOL HW2 8362 1.580 4.045 3.493 0.9626 2.3362 2.2423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8365 2264SOL OW 8363 1.803 4.619 3.115 -0.4463 -0.2257 0.2582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8366 2264SOL HW1 8364 1.794 4.712 3.149 0.9446 0.2064 -0.4558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8367 2264SOL HW2 8365 1.824 4.621 3.017 1.4233 -1.1811 0.5834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8368 2265SOL OW 8366 1.024 5.015 1.980 0.7038 -0.1035 0.4134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8369 2265SOL HW1 8367 1.004 5.046 2.073 0.8210 0.2358 0.3293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8370 2265SOL HW2 8368 1.033 5.095 1.921 0.4617 -0.3257 0.0772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8371 2266SOL OW 8369 0.809 5.403 2.818 -0.6091 -0.6358 0.1662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8372 2266SOL HW1 8370 0.829 5.479 2.756 -1.0837 -1.2464 -0.7541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8373 2266SOL HW2 8371 0.873 5.329 2.801 -0.6047 -0.7255 0.5674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8374 2267SOL OW 8372 0.942 4.549 2.789 0.2171 0.3459 -0.1771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8375 2267SOL HW1 8373 1.024 4.503 2.823 -0.3503 0.3132 1.2405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8376 2267SOL HW2 8374 0.861 4.500 2.821 -0.3735 -0.0338 -2.1584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8377 2268SOL OW 8375 1.203 4.787 1.928 -0.4520 0.2731 0.1893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8378 2268SOL HW1 8376 1.133 4.780 1.858 -0.5521 -0.7679 0.3787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8379 2268SOL HW2 8377 1.263 4.707 1.924 0.6489 1.0728 0.1210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8380 2269SOL OW 8378 1.864 5.296 2.368 -0.6262 0.4050 0.3848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8381 2269SOL HW1 8379 1.774 5.338 2.360 -1.1698 -0.9334 -1.2242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8382 2269SOL HW2 8380 1.934 5.362 2.340 -1.2407 0.9815 0.1845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8383 2270SOL OW 8381 0.379 5.149 3.765 -0.2702 0.2659 0.4321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8384 2270SOL HW1 8382 0.361 5.061 3.721 -0.2602 0.3717 0.2156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8385 2270SOL HW2 8383 0.344 5.147 3.859 -2.3962 0.8218 -0.2854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8386 2271SOL OW 8384 0.135 5.140 2.657 -0.3083 -0.3301 -0.2104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8387 2271SOL HW1 8385 0.086 5.055 2.638 0.3145 -0.9231 0.7582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8388 2271SOL HW2 8386 0.106 5.211 2.592 1.0110 -1.9525 -2.7466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8389 2272SOL OW 8387 0.733 5.217 3.210 -0.1823 0.3180 -0.2040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8390 2272SOL HW1 8388 0.773 5.292 3.262 0.8486 -0.3069 -0.0609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8391 2272SOL HW2 8389 0.790 5.199 3.129 -1.3788 0.8220 -1.1845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8392 2273SOL OW 8390 1.916 3.952 3.047 -0.5190 0.9660 -0.3001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8393 2273SOL HW1 8391 2.000 3.898 3.040 -0.4821 1.1255 -1.2623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8394 2273SOL HW2 8392 1.889 3.983 2.956 -1.8717 0.5420 -0.0574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8395 2274SOL OW 8393 0.300 4.100 2.267 -0.1430 0.1426 -0.6079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8396 2274SOL HW1 8394 0.275 4.032 2.336 -0.8674 -0.4420 -1.4298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8397 2274SOL HW2 8395 0.226 4.111 2.202 0.4165 0.9046 -1.1364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8398 2275SOL OW 8396 1.791 5.280 2.783 -0.1845 -0.6369 0.3879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8399 2275SOL HW1 8397 1.854 5.278 2.705 -1.0158 -1.3164 -0.2854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8400 2275SOL HW2 8398 1.747 5.190 2.792 -2.4794 0.3298 -0.3784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8401 2276SOL OW 8399 0.395 4.210 3.064 0.0668 -0.3056 0.0271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8402 2276SOL HW1 8400 0.343 4.183 3.145 -0.1166 -2.3981 -0.7217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8403 2276SOL HW2 8401 0.490 4.180 3.074 0.3059 0.3935 -0.0955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8404 2277SOL OW 8402 0.602 5.235 2.462 -0.8227 -0.1447 -0.2170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8405 2277SOL HW1 8403 0.551 5.311 2.423 -1.7857 -1.4190 -1.5292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8406 2277SOL HW2 8404 0.618 5.166 2.392 1.4496 -0.4631 0.5366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8407 2278SOL OW 8405 1.539 3.969 2.989 0.0841 -0.1161 -0.2486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8408 2278SOL HW1 8406 1.589 3.884 3.008 -1.3071 -1.1919 -1.2162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8409 2278SOL HW2 8407 1.452 3.968 3.037 -0.7229 -0.0563 -1.6519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8410 2279SOL OW 8408 1.040 3.638 3.005 -0.5263 0.4166 0.7012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8411 2279SOL HW1 8409 0.953 3.607 2.965 -0.7503 1.3188 0.4715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8412 2279SOL HW2 8410 1.114 3.582 2.968 -0.9884 -0.2814 0.7981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8413 2280SOL OW 8411 0.924 5.076 2.226 -0.6683 0.4879 0.3932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8414 2280SOL HW1 8412 0.979 5.005 2.269 0.0065 -0.5961 -2.0840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8415 2280SOL HW2 8413 0.965 5.166 2.242 0.9495 -0.1408 -0.0516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8416 2281SOL OW 8414 0.594 5.270 2.977 -0.2263 0.3466 0.1997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8417 2281SOL HW1 8415 0.606 5.259 3.076 0.0164 -2.3545 -0.0538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8418 2281SOL HW2 8416 0.655 5.342 2.944 0.8021 0.2621 1.7883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8419 2282SOL OW 8417 1.364 3.733 2.149 -0.0268 0.2510 -0.3100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8420 2282SOL HW1 8418 1.434 3.704 2.084 -0.8367 -1.0546 -0.6496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8421 2282SOL HW2 8419 1.273 3.718 2.109 -0.5289 1.7036 0.2014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8422 2283SOL OW 8420 1.381 4.313 2.390 -0.8557 0.3455 0.1913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8423 2283SOL HW1 8421 1.305 4.367 2.352 -0.9541 -0.0418 -0.1692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8424 2283SOL HW2 8422 1.384 4.327 2.489 -0.1432 1.9416 -0.0169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8425 2284SOL OW 8423 1.611 3.876 2.735 -0.3199 0.0907 -0.2246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8426 2284SOL HW1 8424 1.579 3.931 2.811 -0.2670 1.0984 -0.9063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8427 2284SOL HW2 8425 1.581 3.918 2.649 -0.1790 -0.8893 -0.7618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8428 2285SOL OW 8426 0.131 4.686 2.174 0.1860 -0.4178 0.1159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8429 2285SOL HW1 8427 0.228 4.672 2.152 0.0888 1.1751 -1.6068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8430 2285SOL HW2 8428 0.122 4.706 2.271 1.6051 -0.5395 0.2991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8431 2286SOL OW 8429 0.912 5.351 2.257 0.5393 -0.6684 -0.3957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8432 2286SOL HW1 8430 0.838 5.285 2.269 0.4462 -0.4568 0.2731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8433 2286SOL HW2 8431 0.881 5.442 2.284 1.4178 -0.8064 1.2410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8434 2287SOL OW 8432 0.073 4.508 3.698 -0.0940 -0.2500 -0.1507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8435 2287SOL HW1 8433 -0.009 4.498 3.754 1.8912 -1.6857 2.7767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8436 2287SOL HW2 8434 0.072 4.439 3.625 -1.6842 0.0896 -0.4793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8437 2288SOL OW 8435 0.134 4.328 4.623 -0.3086 -0.2365 0.2538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8438 2288SOL HW1 8436 0.172 4.387 4.551 -0.8190 -1.6996 -1.2806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8439 2288SOL HW2 8437 0.191 4.335 4.704 0.6337 1.0342 -0.4662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8440 2289SOL OW 8438 7.132 4.076 4.299 0.5085 0.1800 0.1129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8441 2289SOL HW1 8439 7.060 4.122 4.247 -0.5243 -1.0494 0.4005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8442 2289SOL HW2 8440 7.137 4.116 4.390 -0.6830 -0.5102 0.5122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8443 2290SOL OW 8441 0.496 4.927 4.741 -0.2686 -0.6243 0.1870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8444 2290SOL HW1 8442 0.435 4.992 4.694 0.2738 -0.3966 -0.2182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8445 2290SOL HW2 8443 0.575 4.976 4.777 0.7874 -1.2288 -1.2240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8446 2291SOL OW 8444 1.494 5.184 4.318 -0.7121 0.1857 0.0754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8447 2291SOL HW1 8445 1.486 5.195 4.417 2.7844 -0.4234 0.5777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8448 2291SOL HW2 8446 1.438 5.252 4.272 -1.0971 1.6337 2.5057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8449 2292SOL OW 8447 1.120 4.384 4.228 0.1793 -0.1533 0.7855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8450 2292SOL HW1 8448 1.179 4.465 4.231 0.2007 -0.1705 0.8362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8451 2292SOL HW2 8449 1.050 4.392 4.299 -0.5854 0.4060 -0.0120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8452 2293SOL OW 8450 1.627 4.103 3.865 0.8545 -0.1073 0.0097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8453 2293SOL HW1 8451 1.601 4.008 3.848 1.0436 -0.4128 1.3107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8454 2293SOL HW2 8452 1.555 4.149 3.916 1.2630 0.1073 0.4005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8455 2294SOL OW 8453 0.761 4.854 4.527 -0.6220 -0.0616 -0.0287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8456 2294SOL HW1 8454 0.735 4.943 4.564 0.9450 0.1754 0.5605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8457 2294SOL HW2 8455 0.787 4.865 4.431 1.2388 0.4692 0.5024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8458 2295SOL OW 8456 0.943 4.457 5.328 -0.4471 0.2559 -0.0846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8459 2295SOL HW1 8457 0.974 4.537 5.379 0.1847 0.5851 -0.9546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8460 2295SOL HW2 8458 1.006 4.441 5.251 1.0996 -2.6998 1.6176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8461 2296SOL OW 8459 0.700 4.692 4.058 -0.2060 -0.4438 0.5176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8462 2296SOL HW1 8460 0.730 4.746 4.136 0.4680 0.0774 -0.0796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8463 2296SOL HW2 8461 0.755 4.717 3.978 0.2713 -2.1674 0.2677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8464 2297SOL OW 8462 0.753 5.047 5.546 -0.1144 -0.4575 0.2872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8465 2297SOL HW1 8463 0.787 5.033 5.639 1.0636 1.1051 0.1335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8466 2297SOL HW2 8464 0.653 5.055 5.548 -0.2595 -2.1890 1.1553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8467 2298SOL OW 8465 0.155 5.284 4.883 0.4897 -0.0748 -0.1826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8468 2298SOL HW1 8466 0.120 5.190 4.888 2.6880 -1.2080 -3.0187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8469 2298SOL HW2 8467 0.141 5.319 4.790 1.4970 1.6519 0.2848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8470 2299SOL OW 8468 1.366 5.250 5.017 -0.1127 0.2739 0.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8471 2299SOL HW1 8469 1.409 5.334 4.985 -0.5814 0.1687 -0.9201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8472 2299SOL HW2 8470 1.333 5.263 5.110 -0.6060 1.3223 -0.2670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8473 2300SOL OW 8471 0.388 4.215 5.103 0.0590 -0.1292 0.4050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8474 2300SOL HW1 8472 0.477 4.170 5.111 0.0035 0.0166 2.5880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8475 2300SOL HW2 8473 0.318 4.147 5.084 0.6190 -0.2117 -1.6078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8476 2301SOL OW 8474 1.625 4.122 4.377 0.1238 -0.6496 0.0982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8477 2301SOL HW1 8475 1.633 4.119 4.277 2.3109 0.3323 0.2011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8478 2301SOL HW2 8476 1.604 4.216 4.405 0.9961 -0.6099 0.6336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8479 2302SOL OW 8477 0.142 5.334 4.230 -0.0791 0.3577 0.2257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8480 2302SOL HW1 8478 0.190 5.349 4.316 -0.3659 -0.5039 0.5483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8481 2302SOL HW2 8479 0.095 5.246 4.233 0.4851 -0.0189 -1.0773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8482 2303SOL OW 8480 1.172 5.005 5.395 0.0248 0.6191 -0.2479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8483 2303SOL HW1 8481 1.213 4.979 5.483 0.4214 -0.7629 -0.8093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8484 2303SOL HW2 8482 1.077 4.974 5.392 0.8027 -1.9886 -1.3375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8485 2304SOL OW 8483 0.188 5.122 3.989 -0.0845 -0.0722 -0.5957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8486 2304SOL HW1 8484 0.105 5.138 3.936 -2.0311 -0.7731 1.9996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8487 2304SOL HW2 8485 0.225 5.209 4.021 -0.7784 0.1768 -0.4527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8488 2305SOL OW 8486 0.191 5.088 4.403 -0.1957 -0.3549 -0.0097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8489 2305SOL HW1 8487 0.110 5.029 4.405 -1.8319 1.7029 -1.3111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8490 2305SOL HW2 8488 0.239 5.082 4.491 -3.1934 0.2156 1.8188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8491 2306SOL OW 8489 0.550 5.417 5.000 0.2134 -0.0277 0.8235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8492 2306SOL HW1 8490 0.622 5.407 5.069 2.6554 -0.0387 -1.5646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8493 2306SOL HW2 8491 0.543 5.512 4.971 -0.6522 -0.0558 0.8958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8494 2307SOL OW 8492 0.700 4.941 3.571 0.5095 0.0140 0.0635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8495 2307SOL HW1 8493 0.705 4.937 3.471 -1.4393 -2.2504 -0.0286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8496 2307SOL HW2 8494 0.771 4.883 3.610 0.2810 -0.3537 -0.0622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8497 2308SOL OW 8495 1.509 3.847 5.006 0.4447 0.0942 -0.0106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8498 2308SOL HW1 8496 1.571 3.916 5.043 0.7190 -0.7199 1.1381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8499 2308SOL HW2 8497 1.414 3.877 5.017 0.4594 -0.4451 2.2247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8500 2309SOL OW 8498 7.192 4.419 4.375 -0.0088 0.3685 0.0796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8501 2309SOL HW1 8499 7.230 4.352 4.439 -0.9983 0.2655 0.5757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8502 2309SOL HW2 8500 7.258 4.493 4.362 -0.2384 1.0220 2.2075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8503 2310SOL OW 8501 1.860 5.639 3.896 0.6639 0.3066 0.3903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8504 2310SOL HW1 8502 1.905 5.607 3.979 0.7072 -1.3245 -0.2229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8505 2310SOL HW2 8503 1.893 5.731 3.873 1.2389 0.4516 1.7265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8506 2311SOL OW 8504 7.212 5.166 3.871 0.5667 0.1267 -0.2084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8507 2311SOL HW1 8505 7.193 5.069 3.882 -1.4392 0.4753 -0.1292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8508 2311SOL HW2 8506 7.245 5.184 3.778 0.8016 -0.6168 -0.2671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8509 2312SOL OW 8507 1.776 4.371 4.177 0.5073 -0.7203 0.0844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8510 2312SOL HW1 8508 1.831 4.378 4.260 -2.0750 0.7858 1.8070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8511 2312SOL HW2 8509 1.766 4.276 4.150 0.3096 -1.3744 2.3164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8512 2313SOL OW 8510 1.522 4.958 3.925 0.3465 -0.7246 -0.6944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8513 2313SOL HW1 8511 1.544 4.870 3.968 0.9262 0.2593 1.1063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8514 2313SOL HW2 8512 1.607 4.999 3.890 0.6046 0.4614 1.1781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8515 2314SOL OW 8513 0.255 4.546 5.340 0.5130 0.3172 -0.0183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8516 2314SOL HW1 8514 0.348 4.562 5.309 0.3710 -2.4788 -2.3283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8517 2314SOL HW2 8515 0.191 4.564 5.266 -0.3225 -1.8434 0.0986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8518 2315SOL OW 8516 0.585 5.012 4.121 -0.0697 0.0600 -0.0092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8519 2315SOL HW1 8517 0.494 5.037 4.154 0.1153 1.2795 -0.3725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8520 2315SOL HW2 8518 0.584 5.006 4.021 0.2436 0.1091 -0.0184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8521 2316SOL OW 8519 1.237 4.884 5.154 0.3103 0.1476 -0.1745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8522 2316SOL HW1 8520 1.300 4.950 5.113 0.4429 0.2161 0.1356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8523 2316SOL HW2 8521 1.204 4.919 5.242 -0.5548 0.3420 -0.5597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8524 2317SOL OW 8522 0.642 3.777 4.242 -0.0441 -0.0812 0.0107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8525 2317SOL HW1 8523 0.725 3.809 4.197 -0.1537 0.2562 0.0460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8526 2317SOL HW2 8524 0.579 3.854 4.256 -0.3262 -0.3169 0.0619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8527 2318SOL OW 8525 0.485 4.677 4.859 -0.4953 0.2137 0.1391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8528 2318SOL HW1 8526 0.546 4.699 4.934 -1.1363 -0.3472 0.8397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8529 2318SOL HW2 8527 0.482 4.754 4.795 0.8207 0.3002 0.1546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8530 2319SOL OW 8528 1.595 4.713 3.707 -0.1016 0.0756 0.3022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8531 2319SOL HW1 8529 1.560 4.620 3.699 0.8069 -0.3328 0.9663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8532 2319SOL HW2 8530 1.531 4.777 3.663 -0.7975 -0.8376 -0.0284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8533 2320SOL OW 8531 1.279 5.606 5.273 0.2871 0.1647 -0.4930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8534 2320SOL HW1 8532 1.216 5.530 5.290 2.0231 -1.7615 -2.1860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8535 2320SOL HW2 8533 1.236 5.691 5.303 -3.1265 -1.0072 -1.5107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8536 2321SOL OW 8534 0.002 4.190 5.424 -0.4104 0.0884 0.1014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8537 2321SOL HW1 8535 0.096 4.157 5.423 -0.4386 -0.0105 0.4172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8538 2321SOL HW2 8536 -0.041 4.173 5.335 0.5793 2.2427 -0.8647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8539 2322SOL OW 8537 1.481 5.149 4.597 0.1436 0.1781 0.0467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8540 2322SOL HW1 8538 1.409 5.165 4.664 0.4522 -0.8956 0.6518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8541 2322SOL HW2 8539 1.482 5.053 4.571 1.5259 0.1148 0.2630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8542 2323SOL OW 8540 1.591 5.823 4.028 0.2180 -0.2477 -0.1136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8543 2323SOL HW1 8541 1.546 5.749 3.978 0.0504 -0.1235 -0.1445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8544 2323SOL HW2 8542 1.564 5.819 4.124 0.4150 -0.3863 -0.0610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8545 2324SOL OW 8543 0.449 4.585 3.991 -0.3311 -0.5489 0.4979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8546 2324SOL HW1 8544 0.535 4.628 4.020 -0.0614 0.2030 -1.3299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8547 2324SOL HW2 8545 0.378 4.605 4.058 0.4262 0.5372 1.0008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8548 2325SOL OW 8546 1.187 4.164 4.522 -0.0577 0.4711 -0.3931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8549 2325SOL HW1 8547 1.097 4.121 4.535 0.6302 -0.5640 1.3171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8550 2325SOL HW2 8548 1.232 4.173 4.610 1.8222 0.3245 -1.2976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8551 2326SOL OW 8549 1.643 5.518 3.801 -0.1728 -0.1613 0.0735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8552 2326SOL HW1 8550 1.723 5.574 3.820 -1.4042 1.6802 0.0337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8553 2326SOL HW2 8551 1.656 5.471 3.714 0.5822 0.6655 -0.2783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8554 2327SOL OW 8552 0.776 4.322 5.063 -0.8113 -0.5786 0.2432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8555 2327SOL HW1 8553 0.744 4.333 5.157 0.0437 -2.0067 0.7381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8556 2327SOL HW2 8554 0.707 4.275 5.008 -0.5872 -1.4142 0.6589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8557 2328SOL OW 8555 1.421 4.273 5.256 -0.1458 -0.2410 -0.7283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8558 2328SOL HW1 8556 1.403 4.313 5.346 1.2154 -0.4055 -0.3639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8559 2328SOL HW2 8557 1.518 4.280 5.234 -0.5280 0.2438 -2.4278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8560 2329SOL OW 8558 0.983 4.737 5.097 -0.1591 0.0914 -0.0174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8561 2329SOL HW1 8559 0.979 4.642 5.066 -2.1317 0.8686 -2.3751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8562 2329SOL HW2 8560 1.078 4.760 5.120 0.3843 -2.3627 0.4927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8563 2330SOL OW 8561 0.916 4.098 4.843 0.6033 0.6850 0.2777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8564 2330SOL HW1 8562 0.833 4.142 4.876 0.8625 1.3082 0.0991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8565 2330SOL HW2 8563 0.929 4.011 4.891 0.1484 0.8507 0.7015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8566 2331SOL OW 8564 0.806 4.409 4.066 -0.5965 -0.1354 0.3334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8567 2331SOL HW1 8565 0.812 4.350 4.148 -2.2293 0.4037 0.8600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8568 2331SOL HW2 8566 0.755 4.492 4.088 -0.4310 0.3583 -1.0682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8569 2332SOL OW 8567 0.136 4.624 4.520 0.1021 -0.3599 0.4780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8570 2332SOL HW1 8568 0.220 4.572 4.503 -0.6469 -0.9257 -1.8475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8571 2332SOL HW2 8569 0.160 4.718 4.544 1.4061 -0.6809 0.5404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8572 2333SOL OW 8570 7.203 5.479 5.349 -0.5699 0.3838 -0.1197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8573 2333SOL HW1 8571 7.172 5.461 5.442 0.2379 2.3448 0.5907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8574 2333SOL HW2 8572 7.137 5.539 5.303 0.0749 1.1556 -0.0554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8575 2334SOL OW 8573 0.696 4.047 3.845 -0.1620 0.0457 -0.3081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8576 2334SOL HW1 8574 0.778 4.076 3.893 -0.3043 2.7394 -1.5350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8577 2334SOL HW2 8575 0.711 3.956 3.805 2.0385 0.3000 -0.1533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8578 2335SOL OW 8576 1.709 4.276 5.269 0.0356 0.2453 -0.3329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8579 2335SOL HW1 8577 1.678 4.369 5.291 0.5042 -0.0391 1.6790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8580 2335SOL HW2 8578 1.751 4.276 5.178 -2.1394 1.4764 -1.4228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8581 2336SOL OW 8579 1.304 4.864 4.094 0.2315 0.3243 -0.7432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8582 2336SOL HW1 8580 1.401 4.889 4.088 0.5840 -0.7486 0.2288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8583 2336SOL HW2 8581 1.248 4.947 4.086 1.2764 1.1575 0.1852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8584 2337SOL OW 8582 0.508 3.886 4.781 -0.3304 0.1617 -0.2886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8585 2337SOL HW1 8583 0.521 3.886 4.881 2.0887 -2.4903 -0.4910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8586 2337SOL HW2 8584 0.477 3.977 4.752 -0.8332 1.1027 2.8066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8587 2338SOL OW 8585 0.970 5.282 4.056 -0.6225 0.0561 -0.2281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8588 2338SOL HW1 8586 0.971 5.360 3.994 0.4686 1.8166 1.8719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8589 2338SOL HW2 8587 0.881 5.278 4.103 -2.3392 -2.5950 -3.2550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8590 2339SOL OW 8588 0.317 5.375 4.442 -0.1221 0.0978 -0.4147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8591 2339SOL HW1 8589 0.392 5.308 4.443 0.0434 0.2271 2.0728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8592 2339SOL HW2 8590 0.356 5.467 4.448 -0.4372 0.3578 -1.8555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8593 2340SOL OW 8591 1.879 4.787 4.725 -0.6467 0.2841 -0.1755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8594 2340SOL HW1 8592 1.897 4.696 4.761 -2.5700 0.2152 0.7638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8595 2340SOL HW2 8593 1.782 4.809 4.737 0.1061 3.2564 1.5488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8596 2341SOL OW 8594 1.257 5.239 5.272 0.2009 -0.6785 0.4122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8597 2341SOL HW1 8595 1.241 5.161 5.332 1.9520 0.1963 2.1559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8598 2341SOL HW2 8596 1.170 5.285 5.253 -0.4556 -1.1178 2.1368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8599 2342SOL OW 8597 0.480 4.803 3.554 0.5090 -0.4024 -0.6297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8600 2342SOL HW1 8598 0.579 4.816 3.555 0.5887 -0.9564 0.5867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8601 2342SOL HW2 8599 0.459 4.713 3.592 -0.5800 0.7898 1.8290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8602 2343SOL OW 8600 1.513 4.388 4.160 0.3941 -0.8105 0.5128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8603 2343SOL HW1 8601 1.502 4.373 4.258 -0.4918 -0.7775 0.4260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8604 2343SOL HW2 8602 1.609 4.408 4.140 0.6371 -1.1162 1.3275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8605 2344SOL OW 8603 0.486 5.024 5.599 -0.3574 -0.3931 0.8235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8606 2344SOL HW1 8604 0.481 5.005 5.501 0.8931 -1.1469 0.8924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8607 2344SOL HW2 8605 0.426 4.961 5.648 -1.8171 0.6868 0.4810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8608 2345SOL OW 8606 1.235 5.523 3.783 -0.0784 0.1205 -0.6094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8609 2345SOL HW1 8607 1.135 5.529 3.783 -0.1610 -1.0119 0.2004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8610 2345SOL HW2 8608 1.266 5.482 3.698 -0.4400 -1.2402 -0.1010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8611 2346SOL OW 8609 7.240 3.988 5.239 -0.0754 0.6624 -0.5851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8612 2346SOL HW1 8610 7.177 3.997 5.161 -0.5449 0.8389 -0.1921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8613 2346SOL HW2 8611 7.233 3.895 5.276 1.8687 -0.2102 -2.1926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8614 2347SOL OW 8612 1.703 5.037 3.729 -0.1847 0.1683 0.4736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8615 2347SOL HW1 8613 1.709 5.137 3.737 -0.5035 0.1877 0.4647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8616 2347SOL HW2 8614 1.638 5.013 3.658 2.4605 0.0012 -2.1017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8617 2348SOL OW 8615 0.817 5.678 3.792 0.1984 0.2400 0.1478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8618 2348SOL HW1 8616 0.811 5.778 3.789 -0.2404 0.2095 -0.2193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8619 2348SOL HW2 8617 0.774 5.640 3.710 -1.3096 -0.3072 1.1487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8620 2349SOL OW 8618 1.325 3.794 4.148 -0.4708 0.6199 -0.3197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8621 2349SOL HW1 8619 1.299 3.738 4.069 -0.8894 1.5494 -0.8570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8622 2349SOL HW2 8620 1.425 3.805 4.149 0.0950 -3.1339 1.8651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8623 2350SOL OW 8621 0.511 5.359 4.722 0.3564 -0.4545 -0.5419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8624 2350SOL HW1 8622 0.556 5.372 4.810 -0.0881 -1.6816 -0.1075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8625 2350SOL HW2 8623 0.579 5.340 4.652 0.8003 1.5183 -0.6984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8626 2351SOL OW 8624 0.826 5.353 4.461 0.2760 0.3035 0.0689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8627 2351SOL HW1 8625 0.923 5.334 4.447 -0.0074 -0.6107 -0.7272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8628 2351SOL HW2 8626 0.782 5.372 4.373 -0.2513 0.8283 0.4346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8629 2352SOL OW 8627 0.262 4.601 4.169 -0.2122 0.0303 -0.2028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8630 2352SOL HW1 8628 0.275 4.508 4.204 2.2615 0.1092 -0.7554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8631 2352SOL HW2 8629 0.307 4.666 4.230 -1.3472 0.8177 -0.1874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8632 2353SOL OW 8630 1.485 3.868 5.332 0.5355 0.5620 -0.3000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8633 2353SOL HW1 8631 1.408 3.922 5.296 -0.9288 -0.0420 1.7413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8634 2353SOL HW2 8632 1.454 3.775 5.352 2.0484 0.0461 -0.2507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8635 2354SOL OW 8633 0.687 3.786 3.730 -0.2600 0.0185 -0.4544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8636 2354SOL HW1 8634 0.668 3.714 3.797 -1.7694 0.4936 -0.3520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8637 2354SOL HW2 8635 0.615 3.790 3.662 0.6558 0.3476 -1.4332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8638 2355SOL OW 8636 0.852 4.029 5.379 0.3868 0.0698 -0.4432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8639 2355SOL HW1 8637 0.913 4.107 5.365 -1.4640 1.9454 1.1514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8640 2355SOL HW2 8638 0.905 3.946 5.394 2.5019 1.4810 0.2509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8641 2356SOL OW 8639 0.825 5.224 4.878 -0.3064 0.0777 0.5880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8642 2356SOL HW1 8640 0.873 5.303 4.839 1.4903 -1.7458 -1.1373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8643 2356SOL HW2 8641 0.885 5.177 4.943 -1.0999 -0.2733 1.0885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8644 2357SOL OW 8642 1.366 4.256 4.995 0.5958 -0.1601 -0.6514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8645 2357SOL HW1 8643 1.377 4.230 5.091 -1.7134 -0.2301 -0.3453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8646 2357SOL HW2 8644 1.349 4.354 4.989 -0.6997 -0.3814 -0.8289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8647 2358SOL OW 8645 0.811 4.977 4.273 -0.2681 -0.0714 -0.4608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8648 2358SOL HW1 8646 0.873 4.920 4.219 -0.5018 -0.7824 -0.0014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8649 2358SOL HW2 8647 0.738 5.013 4.215 -0.2901 -0.4990 -0.6987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8650 2359SOL OW 8648 0.813 4.227 4.417 -0.2211 0.5191 -1.0578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8651 2359SOL HW1 8649 0.779 4.179 4.336 0.5747 -0.6088 -0.7630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8652 2359SOL HW2 8650 0.866 4.163 4.473 -0.4200 1.3791 0.1541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8653 2360SOL OW 8651 0.462 4.012 4.247 -0.8063 0.1724 -0.3526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8654 2360SOL HW1 8652 0.395 3.975 4.313 -0.3390 -0.3392 -0.1520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8655 2360SOL HW2 8653 0.420 4.018 4.157 -1.6678 1.5113 0.1092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8656 2361SOL OW 8654 1.429 4.959 3.653 0.3360 0.0150 0.2513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8657 2361SOL HW1 8655 1.351 4.896 3.643 0.5403 -0.2083 0.0730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8658 2361SOL HW2 8656 1.440 4.982 3.750 1.4910 -1.7916 0.5949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8659 2362SOL OW 8657 0.407 3.755 3.885 -0.0310 -0.8598 -0.1358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8660 2362SOL HW1 8658 0.395 3.842 3.933 -0.0904 0.5539 -2.5361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8661 2362SOL HW2 8659 0.462 3.693 3.941 -1.4277 0.0381 2.3839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8662 2363SOL OW 8660 0.843 3.922 4.141 0.2978 -0.0155 0.1143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8663 2363SOL HW1 8661 0.800 4.011 4.135 -0.0886 -0.2569 -1.1187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8664 2363SOL HW2 8662 0.939 3.933 4.165 0.3723 0.7816 -0.4863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8665 2364SOL OW 8663 1.151 4.416 5.139 0.3253 -0.1124 0.4766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8666 2364SOL HW1 8664 1.222 4.372 5.194 2.9751 1.4675 -1.4449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8667 2364SOL HW2 8665 1.189 4.439 5.049 -2.2692 2.0301 -0.1660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8668 2365SOL OW 8666 1.095 5.306 4.491 -0.0074 -0.5714 0.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8669 2365SOL HW1 8667 1.098 5.339 4.397 0.1890 -0.2820 0.1621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8670 2365SOL HW2 8668 1.163 5.355 4.545 0.1688 -1.0310 0.2521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8671 2366SOL OW 8669 0.324 5.025 4.185 0.1607 0.4728 0.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8672 2366SOL HW1 8670 0.272 5.057 4.264 -1.5689 -2.2708 0.1661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8673 2366SOL HW2 8671 0.283 5.060 4.101 0.4879 1.3509 0.2597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8674 2367SOL OW 8672 1.097 5.439 4.263 -0.6144 -0.3107 -0.6047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8675 2367SOL HW1 8673 1.042 5.522 4.269 -0.0030 0.2264 -2.0209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8676 2367SOL HW2 8674 1.081 5.394 4.176 0.8584 -0.3577 -0.8880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8677 2368SOL OW 8675 1.001 4.176 3.645 -0.0274 -0.6079 -0.4304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8678 2368SOL HW1 8676 1.045 4.259 3.610 1.5709 -1.0743 0.3948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8679 2368SOL HW2 8677 0.957 4.196 3.733 -0.4615 -0.4270 -0.6838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8680 2369SOL OW 8678 0.223 4.615 4.856 0.2445 -0.3238 -0.6204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8681 2369SOL HW1 8679 0.320 4.638 4.861 0.2002 0.2099 -1.7971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8682 2369SOL HW2 8680 0.212 4.516 4.857 0.6753 -0.3848 1.1082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8683 2370SOL OW 8681 0.537 3.952 5.040 -0.4345 -0.2235 -0.1331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8684 2370SOL HW1 8682 0.628 3.940 5.078 0.6675 0.2625 -2.4668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8685 2370SOL HW2 8683 0.481 3.872 5.062 -0.4342 0.5997 3.6630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8686 2371SOL OW 8684 0.682 4.159 4.159 0.7234 0.1971 -0.0677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8687 2371SOL HW1 8685 0.655 4.232 4.096 2.2474 -0.0280 -1.0206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8688 2371SOL HW2 8686 0.600 4.112 4.193 -0.1548 0.5427 -1.6178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8689 2372SOL OW 8687 0.831 3.780 4.472 0.1791 -0.6285 -0.7010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8690 2372SOL HW1 8688 0.893 3.770 4.395 1.0422 -1.5903 0.0935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8691 2372SOL HW2 8689 0.863 3.724 4.549 -0.0875 1.0732 0.7172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8692 2373SOL OW 8690 1.487 4.903 4.543 0.1773 0.1507 0.8466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8693 2373SOL HW1 8691 1.402 4.851 4.531 0.3909 0.0752 -0.5322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8694 2373SOL HW2 8692 1.551 4.879 4.470 1.4495 0.1068 1.9385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8695 2374SOL OW 8693 1.481 4.367 4.428 -0.1942 0.1568 -0.2187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8696 2374SOL HW1 8694 1.401 4.309 4.444 0.1957 -0.2470 0.3323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8697 2374SOL HW2 8695 1.521 4.393 4.516 0.7436 -0.2996 -0.4918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8698 2375SOL OW 8696 1.789 4.125 4.087 0.2339 0.0577 -0.2815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8699 2375SOL HW1 8697 1.807 4.029 4.112 -0.1784 0.2774 0.9357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8700 2375SOL HW2 8698 1.750 4.128 3.995 1.6699 -0.8081 -0.9689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8701 2376SOL OW 8699 0.638 5.201 3.665 0.1182 0.0153 0.8804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8702 2376SOL HW1 8700 0.660 5.115 3.619 -1.5950 0.6728 -1.3732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8703 2376SOL HW2 8701 0.545 5.195 3.703 -0.1210 0.9124 0.4690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8704 2377SOL OW 8702 1.622 4.904 4.312 -0.7273 0.1320 0.3117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8705 2377SOL HW1 8703 1.714 4.935 4.338 -0.1570 -0.5285 -0.8661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8706 2377SOL HW2 8704 1.561 4.984 4.305 -0.0357 0.6692 0.2659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8707 2378SOL OW 8705 1.351 4.392 3.637 0.5121 0.6339 -0.2787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8708 2378SOL HW1 8706 1.252 4.397 3.651 0.5752 0.3049 0.3427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8709 2378SOL HW2 8707 1.394 4.358 3.721 1.1193 0.4638 -0.6576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8710 2379SOL OW 8708 0.425 4.011 3.973 0.5440 0.2137 -0.2370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8711 2379SOL HW1 8709 0.515 4.015 3.928 1.4112 1.1111 1.4863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8712 2379SOL HW2 8710 0.360 4.068 3.923 0.6962 -1.0075 -1.9196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8713 2380SOL OW 8711 1.794 5.077 5.173 -0.9533 -0.0438 -0.3463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8714 2380SOL HW1 8712 1.884 5.040 5.196 -0.5723 0.2988 -1.2237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8715 2380SOL HW2 8713 1.777 5.160 5.228 -0.9652 -0.4016 0.1980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8716 2381SOL OW 8714 0.971 5.084 5.044 0.1852 0.1667 0.8601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8717 2381SOL HW1 8715 0.973 5.163 5.105 0.8400 1.2959 -0.5649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8718 2381SOL HW2 8716 1.062 5.042 5.041 0.2711 0.3775 0.3608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8719 2382SOL OW 8717 1.475 5.325 5.457 -0.1183 -0.1713 -0.3123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8720 2382SOL HW1 8718 1.400 5.355 5.398 -0.1353 -0.6955 -0.5572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8721 2382SOL HW2 8719 1.557 5.309 5.401 -0.1336 -0.6639 -0.1992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8722 2383SOL OW 8720 1.095 5.003 4.773 0.4473 -0.3356 0.5504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8723 2383SOL HW1 8721 1.009 4.962 4.803 0.7488 -2.5171 -1.3256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8724 2383SOL HW2 8722 1.092 5.020 4.675 2.0167 -0.0452 0.5243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8725 2384SOL OW 8723 1.610 4.828 4.792 0.2391 -0.3278 0.8778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8726 2384SOL HW1 8724 1.561 4.884 4.859 0.2566 -0.6480 1.1595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8727 2384SOL HW2 8725 1.574 4.846 4.700 0.7094 0.6567 0.8729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8728 2385SOL OW 8726 0.989 3.850 4.954 -0.0088 -0.1608 -0.4174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8729 2385SOL HW1 8727 1.004 3.771 4.894 -1.1086 0.3609 -1.4148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8730 2385SOL HW2 8728 1.038 3.836 5.040 0.8351 -1.3547 -1.0649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8731 2386SOL OW 8729 0.921 4.905 5.378 0.3043 -0.3032 0.2259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8732 2386SOL HW1 8730 0.863 4.903 5.460 0.8435 -1.0229 0.5973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8733 2386SOL HW2 8731 0.866 4.933 5.299 0.0546 1.6726 1.0437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8734 2387SOL OW 8732 0.800 4.699 3.649 -0.0650 -0.0638 0.3066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8735 2387SOL HW1 8733 0.765 4.605 3.653 0.0344 -0.1837 -1.1333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8736 2387SOL HW2 8734 0.897 4.697 3.624 -0.2869 0.4417 -0.6381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8737 2388SOL OW 8735 0.910 4.530 4.940 -0.1863 -0.0316 -0.3697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8738 2388SOL HW1 8736 0.971 4.502 4.866 -0.3637 -2.1748 0.2158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8739 2388SOL HW2 8737 0.848 4.454 4.963 1.4082 -0.3884 3.5199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8740 2389SOL OW 8738 1.193 4.202 4.794 -0.1948 0.1908 0.1728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8741 2389SOL HW1 8739 1.267 4.232 4.855 -0.6042 1.5329 0.0602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8742 2389SOL HW2 8740 1.117 4.169 4.849 0.8091 -2.1067 0.2710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8743 2390SOL OW 8741 0.092 5.482 5.113 -0.2862 0.3602 -0.4786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8744 2390SOL HW1 8742 0.018 5.466 5.179 0.1967 0.9178 0.2205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8745 2390SOL HW2 8743 0.105 5.401 5.057 0.2133 -0.6625 1.0486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8746 2391SOL OW 8744 0.674 4.972 3.847 -0.0425 0.2077 -0.2625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8747 2391SOL HW1 8745 0.644 4.937 3.758 -0.7700 1.3618 -0.4851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8748 2391SOL HW2 8746 0.774 4.967 3.852 0.0688 0.9130 -1.4914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8749 2392SOL OW 8747 0.237 4.045 4.570 -0.0273 -0.2959 0.1811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8750 2392SOL HW1 8748 0.251 3.963 4.515 0.2956 -0.2307 0.1656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8751 2392SOL HW2 8749 0.145 4.081 4.552 -0.3569 -0.9350 0.5679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8752 2393SOL OW 8750 1.176 5.109 4.033 0.1946 0.0295 0.2912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8753 2393SOL HW1 8751 1.254 5.158 4.072 1.1209 -1.0410 -0.1361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8754 2393SOL HW2 8752 1.098 5.170 4.025 0.4537 0.6941 2.3125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8755 2394SOL OW 8753 1.281 5.181 4.772 0.0503 0.2181 -0.2846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8756 2394SOL HW1 8754 1.313 5.213 4.861 -1.7855 1.4542 -0.0084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8757 2394SOL HW2 8755 1.212 5.110 4.785 -1.0433 1.1708 -0.6210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8758 2395SOL OW 8756 1.359 4.390 3.944 0.1420 0.3523 0.0055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8759 2395SOL HW1 8757 1.420 4.391 4.023 -1.9567 2.3223 1.7545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8760 2395SOL HW2 8758 1.337 4.485 3.919 -1.8849 -0.2797 -0.7573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8761 2396SOL OW 8759 0.382 5.221 5.076 0.4408 -0.3812 0.5140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8762 2396SOL HW1 8760 0.301 5.222 5.017 0.2579 -0.1679 0.7630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8763 2396SOL HW2 8761 0.437 5.303 5.060 1.3862 -1.2168 -0.7015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8764 2397SOL OW 8762 0.523 4.595 5.295 -0.1916 -0.0853 0.0022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8765 2397SOL HW1 8763 0.550 4.613 5.200 0.5065 -0.2778 0.1612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8766 2397SOL HW2 8764 0.575 4.517 5.330 0.3806 0.6867 0.9100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8767 2398SOL OW 8765 1.647 4.534 5.298 -0.1989 -0.1795 0.3102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8768 2398SOL HW1 8766 1.567 4.594 5.305 0.0717 0.2149 0.0638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8769 2398SOL HW2 8767 1.704 4.562 5.221 -0.1614 -0.8739 0.0770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8770 2399SOL OW 8768 0.948 3.780 5.393 0.8128 -0.1842 -0.1675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8771 2399SOL HW1 8769 1.005 3.744 5.318 0.9810 -0.7864 0.2428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8772 2399SOL HW2 8770 0.944 3.712 5.466 0.3680 0.2674 0.2245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8773 2400SOL OW 8771 0.298 4.108 5.579 0.2785 0.0105 0.2038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8774 2400SOL HW1 8772 0.298 4.172 5.502 -0.6517 0.8555 0.8655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8775 2400SOL HW2 8773 0.334 4.154 5.660 0.4051 -0.5842 0.4878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8776 2401SOL OW 8774 0.602 4.582 4.570 0.1887 -0.3259 -0.3975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8777 2401SOL HW1 8775 0.682 4.642 4.557 0.5708 -0.8630 -0.5557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8778 2401SOL HW2 8776 0.552 4.611 4.651 -0.7845 1.4821 -1.5669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8779 2402SOL OW 8777 1.244 4.770 4.497 0.5049 0.2260 -0.1641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8780 2402SOL HW1 8778 1.223 4.687 4.444 0.6428 0.1480 -0.0964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8781 2402SOL HW2 8779 1.164 4.830 4.496 0.4064 0.0966 -0.2222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8782 2403SOL OW 8780 0.916 4.216 3.907 -0.0056 0.8324 -0.1020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8783 2403SOL HW1 8781 0.983 4.178 3.971 0.2611 0.4298 -0.6193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8784 2403SOL HW2 8782 0.867 4.291 3.951 0.2053 0.5860 0.5645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8785 2404SOL OW 8783 0.214 4.022 5.099 -0.4618 -0.0310 0.4906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8786 2404SOL HW1 8784 0.121 4.015 5.135 -0.4266 0.4775 0.6834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8787 2404SOL HW2 8785 0.258 3.932 5.104 -1.0680 -0.3587 0.0369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8788 2405SOL OW 8786 0.045 4.923 5.061 0.0885 -0.4740 -0.2346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8789 2405SOL HW1 8787 0.139 4.929 5.094 -0.0794 -0.2125 0.2051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8790 2405SOL HW2 8788 -0.012 4.991 5.107 -0.2418 -0.3947 -0.7462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8791 2406SOL OW 8789 0.555 4.328 4.519 0.5877 -0.3263 0.5432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8792 2406SOL HW1 8790 0.642 4.286 4.493 -0.2679 -1.9131 0.0960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8793 2406SOL HW2 8791 0.571 4.418 4.558 2.5185 -1.0477 1.5245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8794 2407SOL OW 8792 1.803 4.668 5.521 -0.0328 0.1883 -0.2442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8795 2407SOL HW1 8793 1.741 4.642 5.447 -1.0635 0.8235 0.3584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8796 2407SOL HW2 8794 1.749 4.703 5.598 1.1211 3.5739 -0.7762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8797 2408SOL OW 8795 0.295 3.831 4.421 0.5388 0.0437 0.1810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8798 2408SOL HW1 8796 0.244 3.784 4.349 -0.1718 0.6536 0.2674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8799 2408SOL HW2 8797 0.320 3.766 4.492 1.7292 -0.6770 -0.8668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8800 2409SOL OW 8798 1.311 3.998 3.866 -0.1623 0.4382 -0.4371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8801 2409SOL HW1 8799 1.274 4.024 3.955 1.5618 0.6719 0.2484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8802 2409SOL HW2 8800 1.242 4.016 3.795 -1.7474 -0.2022 0.8572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8803 2410SOL OW 8801 0.966 4.437 4.458 -0.1480 -0.0676 -0.1916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8804 2410SOL HW1 8802 1.009 4.437 4.548 -0.5239 1.7361 0.0239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8805 2410SOL HW2 8803 0.904 4.359 4.451 -2.2543 1.2077 2.2215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8806 2411SOL OW 8804 1.051 5.357 5.559 -0.0747 0.5761 -0.0583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8807 2411SOL HW1 8805 1.085 5.449 5.543 -0.4861 1.2896 2.6941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8808 2411SOL HW2 8806 0.994 5.329 5.481 -1.8923 3.6158 -0.0105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8809 2412SOL OW 8807 1.724 5.299 5.342 -0.6168 0.2466 -0.0937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8810 2412SOL HW1 8808 1.746 5.383 5.293 -0.8452 0.4339 0.1231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8811 2412SOL HW2 8809 1.799 5.278 5.405 -0.4858 0.2001 -0.2651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8812 2413SOL OW 8810 0.777 4.577 5.572 -0.3656 0.1134 -0.1929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8813 2413SOL HW1 8811 0.787 4.492 5.521 -0.9774 -0.8267 1.2058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8814 2413SOL HW2 8812 0.840 4.645 5.536 3.3809 -2.2280 1.3591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8815 2414SOL OW 8813 1.540 3.855 3.850 -0.4588 0.5538 -0.2036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8816 2414SOL HW1 8814 1.544 3.776 3.789 -1.7285 -0.5580 1.0815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8817 2414SOL HW2 8815 1.448 3.894 3.849 -1.4797 -1.3322 3.1124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8818 2415SOL OW 8816 1.342 4.647 3.510 0.1143 0.1291 0.3029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8819 2415SOL HW1 8817 1.360 4.551 3.531 2.0368 0.4197 0.2202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8820 2415SOL HW2 8818 1.373 4.666 3.417 -2.6959 0.2648 -0.6972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8821 2416SOL OW 8819 1.045 5.028 4.504 -0.2224 -0.0110 -0.7463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8822 2416SOL HW1 8820 0.970 4.994 4.448 0.4081 -0.0756 -1.5665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8823 2416SOL HW2 8821 1.061 5.125 4.484 0.4477 -0.2086 -1.1894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8824 2417SOL OW 8822 0.382 4.809 4.319 -0.0998 0.0355 1.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8825 2417SOL HW1 8823 0.477 4.792 4.345 -0.3550 -1.2818 1.2068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8826 2417SOL HW2 8824 0.376 4.896 4.270 1.4430 -0.5737 -0.3426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8827 2418SOL OW 8825 0.469 4.147 4.679 -0.3881 -1.0788 -0.5490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8828 2418SOL HW1 8826 0.389 4.097 4.646 -0.6568 -1.3499 0.4596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8829 2418SOL HW2 8827 0.491 4.221 4.615 -3.7619 1.4517 0.8551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8830 2419SOL OW 8828 1.236 3.978 5.320 -0.2350 -0.5573 -0.3114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8831 2419SOL HW1 8829 1.187 4.065 5.326 2.8597 1.2355 1.5691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8832 2419SOL HW2 8830 1.241 3.937 5.411 0.8885 -1.1344 -0.6196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8833 2420SOL OW 8831 1.135 3.794 5.179 0.3321 -0.6697 0.6184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8834 2420SOL HW1 8832 1.172 3.876 5.222 0.1266 1.1250 -2.3076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8835 2420SOL HW2 8833 1.189 3.714 5.206 2.9084 1.0007 0.7493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8836 2421SOL OW 8834 7.172 4.913 3.887 -0.3989 -0.4396 -0.4683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8837 2421SOL HW1 8835 7.092 4.865 3.850 -0.6657 -1.6281 1.4691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8838 2421SOL HW2 8836 7.213 4.857 3.959 1.7393 0.5096 -0.8846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8839 2422SOL OW 8837 0.124 5.354 4.616 -0.3854 -0.3663 0.3271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8840 2422SOL HW1 8838 0.037 5.385 4.578 -1.0896 -0.8035 1.5296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8841 2422SOL HW2 8839 0.196 5.364 4.547 -1.1553 1.0720 -0.3147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8842 2423SOL OW 8840 0.543 5.191 4.377 0.3777 0.3236 0.0622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8843 2423SOL HW1 8841 0.570 5.152 4.465 -0.7537 1.7804 1.0898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8844 2423SOL HW2 8842 0.497 5.120 4.323 0.2176 -0.3378 1.0333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8845 2424SOL OW 8843 1.081 4.496 4.727 -0.0619 -0.5745 -0.1552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8846 2424SOL HW1 8844 1.156 4.431 4.742 0.4728 0.2099 0.6186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8847 2424SOL HW2 8845 1.115 4.589 4.736 -0.7785 -0.1505 -1.4538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8848 2425SOL OW 8846 7.159 4.601 4.653 0.4429 -0.1056 0.1535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8849 2425SOL HW1 8847 7.163 4.554 4.741 2.4974 1.4854 0.9952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8850 2425SOL HW2 8848 7.242 4.581 4.601 -0.7691 -1.0663 -1.5063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8851 2426SOL OW 8849 0.302 4.285 5.369 -0.7565 0.3118 -0.1387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8852 2426SOL HW1 8850 0.355 4.265 5.286 2.5071 -0.3347 1.9032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8853 2426SOL HW2 8851 0.282 4.383 5.373 -0.7398 0.3896 -1.5515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8854 2427SOL OW 8852 1.437 4.743 5.306 0.3700 0.2924 0.1542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8855 2427SOL HW1 8853 1.498 4.821 5.322 -0.8347 1.1157 0.8780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8856 2427SOL HW2 8854 1.362 4.771 5.246 -0.2200 -0.2346 0.6403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8857 2428SOL OW 8855 0.488 4.315 4.051 -0.5349 0.1206 0.2031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8858 2428SOL HW1 8856 0.432 4.265 3.985 0.0266 1.6260 -1.4879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8859 2428SOL HW2 8857 0.521 4.400 4.010 0.7081 0.6261 2.0968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8860 2429SOL OW 8858 1.595 4.379 4.701 -0.0141 -0.1157 -0.2765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8861 2429SOL HW1 8859 1.558 4.291 4.730 -0.5018 -0.4510 -1.7810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8862 2429SOL HW2 8860 1.691 4.369 4.678 0.3887 0.1671 1.2231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8863 2430SOL OW 8861 0.245 5.232 5.586 -0.1965 0.2097 0.2638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8864 2430SOL HW1 8862 0.186 5.251 5.665 -1.5878 -0.2453 -0.6400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8865 2430SOL HW2 8863 0.270 5.136 5.586 -0.0404 0.2506 0.2498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8866 2431SOL OW 8864 0.627 4.176 4.914 -0.0254 -0.2936 0.3504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8867 2431SOL HW1 8865 0.581 4.098 4.958 -0.7564 0.9952 2.0048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8868 2431SOL HW2 8866 0.578 4.200 4.830 -0.4788 -0.9184 0.4257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8869 2432SOL OW 8867 1.015 5.329 5.182 -0.3788 -0.1834 0.1423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8870 2432SOL HW1 8868 0.951 5.302 5.254 -2.3440 0.9335 -1.0745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8871 2432SOL HW2 8869 0.971 5.396 5.122 1.3064 -0.7443 -1.8542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8872 2433SOL OW 8870 0.334 4.515 3.753 -0.3336 -0.1455 0.8737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8873 2433SOL HW1 8871 0.361 4.571 3.831 -1.3953 0.5827 0.7413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8874 2433SOL HW2 8872 0.235 4.517 3.744 -0.3296 -1.3707 0.3414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8875 2434SOL OW 8873 0.274 4.961 5.184 -0.2683 0.1164 -0.0545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8876 2434SOL HW1 8874 0.336 5.034 5.154 1.7643 -2.0256 -1.3997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8877 2434SOL HW2 8875 0.314 4.914 5.262 -1.9022 0.8002 1.2520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8878 2435SOL OW 8876 1.231 4.746 4.770 0.3767 -0.2194 -0.7217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8879 2435SOL HW1 8877 1.259 4.743 4.674 3.1476 3.6371 -0.2672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8880 2435SOL HW2 8878 1.181 4.831 4.788 -0.5518 -1.1080 1.2050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8881 2436SOL OW 8879 1.245 4.663 3.875 0.3502 -0.4969 0.2190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8882 2436SOL HW1 8880 1.305 4.708 3.941 1.2763 0.6588 -1.3622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8883 2436SOL HW2 8881 1.239 4.717 3.792 -1.3337 -1.5841 -0.4380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8884 2437SOL OW 8882 1.736 5.454 4.871 -0.3822 0.1099 0.0595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8885 2437SOL HW1 8883 1.803 5.515 4.827 -0.2018 0.7685 1.1973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8886 2437SOL HW2 8884 1.772 5.361 4.871 -0.6486 -0.0352 -1.6831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8887 2438SOL OW 8885 1.238 5.426 4.703 0.2742 0.2335 0.6501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8888 2438SOL HW1 8886 1.275 5.492 4.768 1.8499 -0.7163 0.7809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8889 2438SOL HW2 8887 1.272 5.335 4.725 -0.1707 -0.3076 -0.7579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8890 2439SOL OW 8888 0.085 5.027 4.804 0.2528 0.4346 0.0759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8891 2439SOL HW1 8889 0.075 4.980 4.892 1.9281 -0.8488 -0.3764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8892 2439SOL HW2 8890 0.023 4.985 4.737 1.4943 -0.9571 -0.2346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8893 2440SOL OW 8891 0.648 5.391 5.244 -0.1548 0.7581 0.0564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8894 2440SOL HW1 8892 0.562 5.365 5.289 -0.1729 -1.6405 -1.2165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8895 2440SOL HW2 8893 0.700 5.452 5.304 -1.2720 -0.3292 2.2317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8896 2441SOL OW 8894 1.622 3.828 4.137 0.4996 0.3250 -0.0918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8897 2441SOL HW1 8895 1.636 3.853 4.041 0.3612 -2.0283 -0.7807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8898 2441SOL HW2 8896 1.633 3.729 4.148 -0.1851 0.4477 2.2102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8899 2442SOL OW 8897 1.332 5.349 4.134 -0.2911 0.1125 0.1133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8900 2442SOL HW1 8898 1.383 5.417 4.080 -0.0696 -0.5301 -0.4922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8901 2442SOL HW2 8899 1.258 5.395 4.183 -2.4627 0.3201 -3.0984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8902 2443SOL OW 8900 7.252 5.634 5.663 -0.1234 -0.3105 -0.4590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8903 2443SOL HW1 8901 7.191 5.569 5.618 0.2332 0.1382 -1.6233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8904 2443SOL HW2 8902 7.283 5.597 5.750 -2.3791 -0.3758 0.3721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8905 2444SOL OW 8903 1.263 4.636 4.258 -0.1940 0.0626 0.2517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8906 2444SOL HW1 8904 1.351 4.595 4.233 -0.5502 -0.2269 -0.5463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8907 2444SOL HW2 8905 1.262 4.732 4.229 -0.9519 -0.5150 -1.7373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8908 2445SOL OW 8906 0.735 4.922 5.142 -0.2102 -0.0796 -0.5259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8909 2445SOL HW1 8907 0.828 4.903 5.112 -0.5952 0.3267 -2.0643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8910 2445SOL HW2 8908 0.693 4.990 5.082 -1.6193 -0.5280 -0.1034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8911 2446SOL OW 8909 0.887 5.300 3.636 0.0111 -0.2032 -0.5084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8912 2446SOL HW1 8910 0.908 5.329 3.543 -0.6790 -1.1530 -0.9860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8913 2446SOL HW2 8911 0.792 5.269 3.640 -0.3026 0.8467 0.7770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8914 2447SOL OW 8912 1.472 5.487 4.890 -1.1309 0.0261 0.0150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8915 2447SOL HW1 8913 1.572 5.480 4.895 -1.0932 1.1529 2.2310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8916 2447SOL HW2 8914 1.446 5.582 4.873 -1.8070 -0.0847 0.3688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8917 2448SOL OW 8915 1.864 3.845 4.693 0.1674 0.1255 0.1071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8918 2448SOL HW1 8916 1.881 3.750 4.667 1.4429 0.2005 0.6010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8919 2448SOL HW2 8917 1.774 3.873 4.660 -0.3098 -1.3076 0.1263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8920 2449SOL OW 8918 0.102 4.099 4.168 0.6891 0.1827 -0.4013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8921 2449SOL HW1 8919 0.014 4.094 4.214 0.4472 -0.3820 -0.9295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8922 2449SOL HW2 8920 0.101 4.040 4.087 1.7965 -0.3868 -0.0148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8923 2450SOL OW 8921 1.328 5.386 3.558 0.1192 -0.2897 0.5213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8924 2450SOL HW1 8922 1.329 5.316 3.630 0.1972 -0.2981 0.5115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8925 2450SOL HW2 8923 1.261 5.360 3.488 1.0078 -0.9694 -0.0964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8926 2451SOL OW 8924 0.891 4.851 4.847 -0.8292 -0.2245 -0.5337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8927 2451SOL HW1 8925 0.797 4.852 4.814 -0.5945 0.1413 -1.2305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8928 2451SOL HW2 8926 0.900 4.786 4.923 -1.3370 -1.3476 -1.4013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8929 2452SOL OW 8927 1.001 4.582 3.851 0.2511 0.2573 -0.4234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8930 2452SOL HW1 8928 1.097 4.601 3.870 0.1797 0.0897 0.1359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8931 2452SOL HW2 8929 0.963 4.525 3.924 -0.6083 1.3966 0.0592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8932 2453SOL OW 8930 1.601 5.323 3.599 0.0561 -0.5684 -0.2774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8933 2453SOL HW1 8931 1.507 5.336 3.567 -0.0286 -0.8833 -0.1619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8934 2453SOL HW2 8932 1.663 5.328 3.521 0.0211 0.4119 -0.2539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8935 2454SOL OW 8933 0.512 4.872 5.350 -0.0649 -0.8206 -0.5121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8936 2454SOL HW1 8934 0.583 4.905 5.288 -2.4269 1.7820 -2.0375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8937 2454SOL HW2 8935 0.501 4.773 5.339 -0.0149 -0.5402 -3.9066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8938 2455SOL OW 8936 1.505 4.997 4.999 -0.2416 -0.1648 0.2557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8939 2455SOL HW1 8937 1.593 5.030 5.033 1.2862 -0.1682 -3.2101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8940 2455SOL HW2 8938 1.441 5.074 4.992 0.8868 0.7232 -0.9435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8941 2456SOL OW 8939 0.968 4.780 4.189 -0.0870 -0.0024 0.1313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8942 2456SOL HW1 8940 0.975 4.755 4.285 -0.9098 1.8377 0.7016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8943 2456SOL HW2 8941 1.047 4.743 4.140 0.7983 -0.2400 1.6648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8944 2457SOL OW 8942 0.942 4.034 4.576 -0.5150 0.6638 -0.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8945 2457SOL HW1 8943 0.865 3.972 4.560 0.7816 -1.3371 0.9578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8946 2457SOL HW2 8944 0.945 4.059 4.673 1.1084 -0.5275 0.1170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8947 2458SOL OW 8945 0.642 5.429 3.900 0.1973 0.0748 0.5878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8948 2458SOL HW1 8946 0.589 5.471 3.827 1.5224 0.1671 -0.3664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8949 2458SOL HW2 8947 0.739 5.446 3.884 0.5682 -0.7337 1.8569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8950 2459SOL OW 8948 1.732 4.046 4.989 0.1161 -0.1044 0.3001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8951 2459SOL HW1 8949 1.781 4.126 5.023 -0.2465 -1.2214 3.9006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8952 2459SOL HW2 8950 1.796 3.983 4.946 0.8795 0.7982 0.0750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8953 2460SOL OW 8951 0.416 5.299 4.034 0.0918 0.0823 -0.0506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8954 2460SOL HW1 8952 0.442 5.320 4.128 -0.5509 -2.2530 0.7299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8955 2460SOL HW2 8953 0.495 5.308 3.974 0.9909 -0.2165 1.0553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8956 2461SOL OW 8954 0.137 4.782 5.427 0.5375 0.2556 -0.1500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8957 2461SOL HW1 8955 0.048 4.739 5.413 1.1685 -1.0964 -0.2103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8958 2461SOL HW2 8956 0.209 4.713 5.419 1.4443 0.7966 2.3437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8959 2462SOL OW 8957 0.759 3.891 5.139 -0.2651 -0.0808 -0.0940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8960 2462SOL HW1 8958 0.835 3.865 5.078 0.0078 -0.5914 0.4512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8961 2462SOL HW2 8959 0.796 3.931 5.223 -0.5790 -0.5785 0.2908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8962 2463SOL OW 8960 0.127 4.078 3.750 0.3072 0.3189 0.4391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8963 2463SOL HW1 8961 0.170 4.042 3.667 0.6661 0.6847 0.4620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8964 2463SOL HW2 8962 0.039 4.119 3.727 0.1440 -0.0931 0.3295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8965 2464SOL OW 8963 1.296 4.562 4.943 -0.6413 0.2166 0.2878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8966 2464SOL HW1 8964 1.268 4.652 4.910 2.0551 1.4201 0.9671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8967 2464SOL HW2 8965 1.396 4.556 4.942 -0.7097 -3.7958 -2.2437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8968 2465SOL OW 8966 7.238 3.940 3.955 -0.3073 0.5602 -0.1227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8969 2465SOL HW1 8967 7.283 3.944 3.866 -1.5779 0.3283 -0.7865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8970 2465SOL HW2 8968 7.213 3.845 3.975 -1.9176 0.8761 -0.5033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8971 2466SOL OW 8969 1.232 5.213 3.752 0.0686 -0.4482 -0.4183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8972 2466SOL HW1 8970 1.177 5.162 3.686 2.3892 -1.4054 -1.7355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8973 2466SOL HW2 8971 1.237 5.162 3.838 0.2395 -1.1938 -0.8603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8974 2467SOL OW 8972 0.659 4.671 5.059 0.4672 0.1349 0.0785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8975 2467SOL HW1 8973 0.688 4.759 5.096 0.0823 0.0295 0.6417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8976 2467SOL HW2 8974 0.738 4.624 5.017 1.1507 -0.2014 1.6871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8977 2468SOL OW 8975 1.519 5.503 4.565 0.2102 -0.5448 0.2838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8978 2468SOL HW1 8976 1.605 5.453 4.561 1.0068 0.6344 1.6438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8979 2468SOL HW2 8977 1.448 5.445 4.605 0.3976 -1.4648 -0.6809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8980 2469SOL OW 8978 0.692 4.392 5.321 -0.3026 -0.3551 0.1626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8981 2469SOL HW1 8979 0.789 4.416 5.318 -0.4401 0.1148 -1.5684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8982 2469SOL HW2 8980 0.678 4.319 5.387 1.4932 -1.5172 -0.6625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8983 2470SOL OW 8981 1.622 4.915 5.340 0.0214 -0.2980 0.1649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8984 2470SOL HW1 8982 1.627 4.971 5.422 -2.5553 0.1026 0.1306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8985 2470SOL HW2 8983 1.699 4.935 5.280 0.4694 1.3934 1.2605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8986 2471SOL OW 8984 0.416 5.276 5.365 -0.2526 -0.4276 0.4177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8987 2471SOL HW1 8985 0.362 5.260 5.282 -1.2815 -0.1647 1.0178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8988 2471SOL HW2 8986 0.376 5.225 5.441 1.3062 -1.5274 0.5463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8989 2472SOL OW 8987 1.558 4.560 4.894 -0.1741 -0.2098 -0.7378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8990 2472SOL HW1 8988 1.572 4.485 4.829 -2.1478 -0.6082 -0.7760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8991 2472SOL HW2 8989 1.553 4.646 4.844 -0.2149 -0.3378 -0.9562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8992 2473SOL OW 8990 1.116 3.940 4.219 0.0538 -0.7108 0.3982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8993 2473SOL HW1 8991 1.199 3.884 4.212 -0.4309 -1.6873 1.9106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8994 2473SOL HW2 8992 1.141 4.037 4.223 0.9994 -0.8874 -0.7979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8995 2474SOL OW 8993 0.315 4.440 4.445 0.0874 1.3121 -0.3187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8996 2474SOL HW1 8994 0.411 4.420 4.464 -0.2218 1.2932 1.4070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8997 2474SOL HW2 8995 0.282 4.381 4.372 1.3019 1.1027 -0.7117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8998 2475SOL OW 8996 1.684 4.049 5.404 0.3944 0.0432 1.0207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
8999 2475SOL HW1 8997 1.683 4.123 5.337 1.2544 0.2204 1.1886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9000 2475SOL HW2 8998 1.602 3.993 5.394 0.3946 0.2149 -0.0123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9001 2476SOL OW 8999 1.771 4.613 5.068 -0.1354 0.1906 -0.4729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9002 2476SOL HW1 9000 1.808 4.706 5.073 -0.7081 0.4052 -0.0579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9003 2476SOL HW2 9001 1.699 4.609 4.998 0.1872 -0.0501 -0.7933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9004 2477SOL OW 9002 0.970 5.041 3.651 -0.0203 -0.1063 0.0065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9005 2477SOL HW1 9003 0.970 4.998 3.741 0.5545 1.4414 0.7725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9006 2477SOL HW2 9004 0.936 5.135 3.658 0.7824 0.3101 -1.2440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9007 2478SOL OW 9005 0.736 5.147 4.603 0.1229 -0.2928 0.6387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9008 2478SOL HW1 9006 0.761 5.229 4.552 0.3924 -1.8516 -1.9323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9009 2478SOL HW2 9007 0.779 5.150 4.694 0.9999 1.8804 0.2162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9010 2479SOL OW 9008 0.991 4.701 4.451 0.8692 0.1134 -0.2034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9011 2479SOL HW1 9009 0.993 4.601 4.445 1.1549 0.0589 0.6754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9012 2479SOL HW2 9010 0.921 4.729 4.515 1.4839 0.4327 0.3400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9013 2480SOL OW 9011 1.194 4.806 3.641 0.8598 0.1785 -0.2209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9014 2480SOL HW1 9012 1.122 4.845 3.582 1.8863 -1.0850 -2.4218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9015 2480SOL HW2 9013 1.250 4.743 3.588 1.7227 -1.2493 2.2274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9016 2481SOL OW 9014 1.733 5.317 4.165 0.5821 0.2788 -0.4382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9017 2481SOL HW1 9015 1.751 5.407 4.206 -0.1246 0.2871 -0.1328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9018 2481SOL HW2 9016 1.700 5.254 4.235 0.6925 -0.1089 -0.7308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9019 2482SOL OW 9017 0.229 4.924 5.635 0.0189 0.3007 -0.0261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9020 2482SOL HW1 9018 0.201 4.875 5.552 0.8431 0.9287 -0.6885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9021 2482SOL HW2 9019 0.155 4.919 5.702 0.2452 -2.2496 0.1397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9022 2483SOL OW 9020 0.088 4.842 4.092 -0.2152 0.1705 0.2473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9023 2483SOL HW1 9021 0.148 4.766 4.117 -0.9881 -0.6519 -0.3269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9024 2483SOL HW2 9022 0.141 4.913 4.045 0.0080 -1.4435 -2.0900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9025 2484SOL OW 9023 0.856 5.214 5.367 0.3682 -0.6453 0.3508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9026 2484SOL HW1 9024 0.833 5.133 5.421 -1.1651 -0.2574 0.3119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9027 2484SOL HW2 9025 0.773 5.253 5.327 0.9945 1.2325 0.7625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9028 2485SOL OW 9026 1.960 3.872 4.948 -0.7765 -0.0665 -0.1629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9029 2485SOL HW1 9027 2.058 3.887 4.934 -0.3717 -3.3811 -1.8704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9030 2485SOL HW2 9028 1.913 3.879 4.860 -2.0506 0.9609 0.5597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9031 2486SOL OW 9029 0.256 4.303 4.180 -0.3249 -0.1221 -0.0577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9032 2486SOL HW1 9030 0.338 4.312 4.125 0.4145 0.8266 1.1470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9033 2486SOL HW2 9031 0.216 4.212 4.167 2.4021 -1.6331 1.3277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9034 2487SOL OW 9032 1.755 5.150 4.629 -0.0208 0.0777 0.7872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9035 2487SOL HW1 9033 1.655 5.149 4.634 -0.1103 2.0677 0.1684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9036 2487SOL HW2 9034 1.785 5.107 4.544 -0.5104 1.5957 -0.1946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9037 2488SOL OW 9035 0.240 4.354 4.884 0.0362 -0.6874 0.3621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9038 2488SOL HW1 9036 0.236 4.324 4.979 0.2389 -0.0090 0.5925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9039 2488SOL HW2 9037 0.332 4.338 4.848 -0.2530 -1.6643 0.0281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9040 2489SOL OW 9038 0.713 5.342 4.178 0.0565 -0.4297 -0.5059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9041 2489SOL HW1 9039 0.668 5.414 4.125 0.8387 0.9690 0.6563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9042 2489SOL HW2 9040 0.646 5.302 4.242 -0.4682 -0.9964 -1.3905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9043 2490SOL OW 9041 1.504 4.142 4.795 -0.2077 -0.4133 -0.1346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9044 2490SOL HW1 9042 1.578 4.126 4.861 -0.8475 -1.1746 0.4111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9045 2490SOL HW2 9043 1.416 4.138 4.841 -0.6534 -0.6465 -0.9827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9046 2491SOL OW 9044 1.044 3.631 4.754 0.0281 0.2852 0.7280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9047 2491SOL HW1 9045 0.996 3.574 4.686 -1.7366 3.7247 -1.2315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9048 2491SOL HW2 9046 1.141 3.634 4.732 -0.4814 1.2027 -1.7049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9049 2492SOL OW 9047 0.934 4.898 3.880 -0.3741 0.0481 -0.1639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9050 2492SOL HW1 9048 0.963 4.805 3.858 -0.3072 -0.1002 0.5191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9051 2492SOL HW2 9049 0.972 4.925 3.968 -0.6748 0.5989 -0.1947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9052 2493SOL OW 9050 0.608 5.091 4.943 0.0195 -0.6014 0.2454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9053 2493SOL HW1 9051 0.541 5.150 4.987 0.2249 -0.3242 0.1863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9054 2493SOL HW2 9052 0.685 5.146 4.909 -0.8954 -0.5443 -1.9389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9055 2494SOL OW 9053 1.250 3.653 3.915 -0.6539 0.1357 -0.0890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9056 2494SOL HW1 9054 1.257 3.714 3.836 -0.7964 1.5750 0.9481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9057 2494SOL HW2 9055 1.167 3.598 3.908 1.0715 -2.3886 -2.6357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9058 2495SOL OW 9056 1.170 4.209 4.036 0.1053 -0.1732 -0.6044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9059 2495SOL HW1 9057 1.163 4.272 4.113 2.6457 -0.2753 -0.2365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9060 2495SOL HW2 9058 1.220 4.252 3.962 1.5167 -1.5753 -0.5085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9061 2496SOL OW 9059 1.619 4.011 4.598 -0.4042 0.1060 -0.6824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9062 2496SOL HW1 9060 1.559 4.064 4.659 -0.1971 -1.5738 1.0573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9063 2496SOL HW2 9061 1.619 4.053 4.507 -2.1171 1.6781 -0.0181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9064 2497SOL OW 9062 0.058 4.756 3.578 -0.2352 0.2185 0.2420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9065 2497SOL HW1 9063 0.072 4.661 3.606 -1.9536 -0.3857 -0.7832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9066 2497SOL HW2 9064 -0.037 4.782 3.597 0.0088 1.4785 -0.2318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9067 2498SOL OW 9065 0.976 5.462 3.857 -0.3221 0.1544 0.7491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9068 2498SOL HW1 9066 0.944 5.389 3.796 0.3404 1.2926 -1.0383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9069 2498SOL HW2 9067 0.928 5.547 3.837 -0.3280 0.4984 2.0881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9070 2499SOL OW 9068 0.285 4.534 5.625 -0.4175 0.1585 -0.2654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9071 2499SOL HW1 9069 0.190 4.511 5.646 -0.5507 0.3881 -0.5999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9072 2499SOL HW2 9070 0.298 4.538 5.526 -0.0169 -0.0312 -0.2247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9073 2500SOL OW 9071 0.206 3.839 6.542 -0.1554 -0.5429 -0.7384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9074 2500SOL HW1 9072 0.205 3.827 6.641 -0.2111 0.4320 -0.6132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9075 2500SOL HW2 9073 0.132 3.786 6.501 -0.5770 -0.3874 -0.1867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9076 2501SOL OW 9074 0.115 4.150 6.212 -0.1964 0.2403 0.7376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9077 2501SOL HW1 9075 0.077 4.164 6.304 -0.4813 0.8435 0.5273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9078 2501SOL HW2 9076 0.053 4.091 6.160 -0.8603 1.2264 0.3934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9079 2502SOL OW 9077 0.484 4.978 6.522 0.4004 -0.1828 -0.0462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9080 2502SOL HW1 9078 0.428 4.896 6.531 0.3508 -0.0367 1.0732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9081 2502SOL HW2 9079 0.485 5.028 6.608 1.8942 0.0441 -0.1576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9082 2503SOL OW 9080 1.581 5.172 6.270 -0.4732 -0.0264 0.4871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9083 2503SOL HW1 9081 1.514 5.180 6.344 0.4674 0.0991 1.3420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9084 2503SOL HW2 9082 1.535 5.184 6.182 -1.3303 1.6257 1.1153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9085 2504SOL OW 9083 1.084 4.471 6.110 0.2223 -0.8765 0.5701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9086 2504SOL HW1 9084 1.171 4.496 6.153 -0.4419 0.1400 1.3903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9087 2504SOL HW2 9085 1.008 4.504 6.167 -0.7090 0.7930 -1.5066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9088 2505SOL OW 9086 1.559 4.265 5.666 -0.2720 -0.3100 -0.0151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9089 2505SOL HW1 9087 1.654 4.253 5.636 0.1397 0.2737 0.9887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9090 2505SOL HW2 9088 1.525 4.178 5.702 0.1996 -0.3065 0.4572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9091 2506SOL OW 9089 0.754 5.114 6.762 -0.3591 -0.3308 0.2909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9092 2506SOL HW1 9090 0.699 5.058 6.824 0.5973 -0.5530 0.9587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9093 2506SOL HW2 9091 0.744 5.081 6.668 1.4254 -2.6788 0.8483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9094 2507SOL OW 9092 0.735 4.632 7.207 0.6569 -0.4891 0.1130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9095 2507SOL HW1 9093 0.758 4.705 7.271 1.7959 -0.3528 -0.4403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9096 2507SOL HW2 9094 0.802 4.558 7.215 -0.6716 -1.6694 0.9151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9097 2508SOL OW 9095 0.854 4.618 6.202 -0.8522 0.1166 -0.3511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9098 2508SOL HW1 9096 0.842 4.707 6.246 0.2377 0.0720 0.0618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9099 2508SOL HW2 9097 0.775 4.560 6.224 -0.6417 0.3126 1.0267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9100 2509SOL OW 9098 0.259 4.805 6.525 0.3245 -0.9796 -0.2033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9101 2509SOL HW1 9099 0.166 4.824 6.559 0.7926 -0.6882 0.9878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9102 2509SOL HW2 9100 0.262 4.819 6.426 -0.5952 0.2636 -0.0792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9103 2510SOL OW 9101 1.502 5.182 6.953 -0.0936 0.0446 0.3629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9104 2510SOL HW1 9102 1.511 5.277 6.984 -1.0821 0.2353 0.1153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9105 2510SOL HW2 9103 1.405 5.156 6.953 0.1929 -1.0729 0.7260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9106 2511SOL OW 9104 0.325 4.065 7.008 -0.0210 -0.2455 0.0072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9107 2511SOL HW1 9105 0.364 4.077 7.100 1.1763 -0.7962 -0.4160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9108 2511SOL HW2 9106 0.312 3.968 6.990 -2.2171 -0.0550 0.3682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9109 2512SOL OW 9107 1.445 4.179 6.309 -0.3006 -0.2221 -0.3750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9110 2512SOL HW1 9108 1.346 4.175 6.295 -1.2076 2.2009 3.6243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9111 2512SOL HW2 9109 1.470 4.267 6.349 3.0919 -1.6141 1.0145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9112 2513SOL OW 9110 0.037 5.468 5.895 -0.0381 -0.6078 0.4491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9113 2513SOL HW1 9111 0.098 5.529 5.947 1.1025 -1.1830 -0.1644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9114 2513SOL HW2 9112 -0.041 5.443 5.951 -0.3364 1.1065 0.8523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9115 2514SOL OW 9113 0.113 5.222 5.843 0.0698 0.0817 -0.2922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9116 2514SOL HW1 9114 0.099 5.318 5.868 -0.5040 -0.5048 1.8120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9117 2514SOL HW2 9115 0.171 5.178 5.911 -0.2916 -1.2601 -0.8261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9118 2515SOL OW 9116 0.473 4.640 6.321 -0.3690 -0.3505 -0.4974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9119 2515SOL HW1 9117 0.479 4.612 6.417 1.1986 -1.6365 -0.9137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9120 2515SOL HW2 9118 0.431 4.730 6.315 -3.0156 -1.3480 1.1591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9121 2516SOL OW 9119 0.518 5.280 7.025 -0.6206 -0.5892 0.2145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9122 2516SOL HW1 9120 0.436 5.301 7.079 -0.2509 0.9984 0.2286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9123 2516SOL HW2 9121 0.565 5.366 7.002 1.4846 -1.4931 0.9133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9124 2517SOL OW 9122 0.670 4.640 5.815 -0.2684 0.1141 -0.3095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9125 2517SOL HW1 9123 0.695 4.590 5.732 -0.4215 -1.5608 0.6085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9126 2517SOL HW2 9124 0.731 4.718 5.826 -0.3852 0.4957 -2.0944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9127 2518SOL OW 9125 1.685 3.752 7.032 0.2957 0.0131 0.1752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9128 2518SOL HW1 9126 1.629 3.770 6.952 0.8737 -0.0618 -0.2555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9129 2518SOL HW2 9127 1.708 3.654 7.035 3.2319 0.5323 -1.5873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9130 2519SOL OW 9128 0.290 4.341 6.182 -0.1663 -0.4333 -0.0013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9131 2519SOL HW1 9129 0.229 4.263 6.170 0.4973 -0.7605 -1.4966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9132 2519SOL HW2 9130 0.261 4.394 6.262 -0.6962 -2.1302 0.9829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9133 2520SOL OW 9131 1.766 5.412 6.027 0.0772 0.0558 0.4581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9134 2520SOL HW1 9132 1.860 5.380 6.024 0.5047 1.2977 0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9135 2520SOL HW2 9133 1.763 5.506 6.062 -0.8962 0.5507 -0.8853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9136 2521SOL OW 9134 7.161 5.135 5.652 0.0090 0.1525 -0.3914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9137 2521SOL HW1 9135 7.076 5.098 5.691 0.6892 -1.4362 -0.3423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9138 2521SOL HW2 9136 7.236 5.120 5.717 0.4064 1.2506 -0.5756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9139 2522SOL OW 9137 1.526 4.835 6.305 0.0205 0.7102 0.1916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9140 2522SOL HW1 9138 1.497 4.771 6.234 -1.3121 -0.0866 1.3971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9141 2522SOL HW2 9139 1.617 4.871 6.282 -0.9714 1.6820 -2.6592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9142 2523SOL OW 9140 1.609 4.874 6.009 -0.3496 -0.2054 0.3443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9143 2523SOL HW1 9141 1.616 4.775 6.008 1.0488 -0.1268 -0.1794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9144 2523SOL HW2 9142 1.682 4.912 6.067 0.4147 0.5616 -1.0580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9145 2524SOL OW 9143 0.326 4.694 7.144 0.4040 0.1458 0.2667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9146 2524SOL HW1 9144 0.307 4.718 7.049 -0.3831 0.2720 0.4486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9147 2524SOL HW2 9145 0.282 4.608 7.167 1.0046 -0.1380 0.3820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9148 2525SOL OW 9146 0.704 4.819 6.322 0.6892 0.1268 0.0347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9149 2525SOL HW1 9147 0.646 4.738 6.323 0.6202 0.1762 0.1367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9150 2525SOL HW2 9148 0.666 4.886 6.258 0.9319 -0.0533 -0.3015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9151 2526SOL OW 9149 0.898 4.855 7.132 -0.1150 0.5404 -0.1045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9152 2526SOL HW1 9150 0.908 4.814 7.042 1.2378 -1.0384 0.7079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9153 2526SOL HW2 9151 0.983 4.844 7.184 -1.5184 -0.5432 2.1326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9154 2527SOL OW 9152 0.649 3.825 5.902 -0.3844 -0.7175 0.5636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9155 2527SOL HW1 9153 0.722 3.873 5.951 -0.5593 -1.0885 1.2125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9156 2527SOL HW2 9154 0.564 3.830 5.955 -0.9710 0.1481 -0.4336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9157 2528SOL OW 9155 0.245 4.645 6.869 0.1397 0.0224 0.2635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9158 2528SOL HW1 9156 0.251 4.556 6.822 0.7421 -0.3230 0.9625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9159 2528SOL HW2 9157 0.184 4.705 6.819 -0.5977 -0.9248 -0.0163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9160 2529SOL OW 9158 1.622 4.682 5.735 -0.1241 0.0640 -0.2925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9161 2529SOL HW1 9159 1.527 4.702 5.712 0.1335 -0.2442 -1.7020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9162 2529SOL HW2 9160 1.631 4.675 5.834 -1.5953 -0.0343 -0.1413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9163 2530SOL OW 9161 1.289 5.452 6.876 -0.0175 0.1170 -0.7245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9164 2530SOL HW1 9162 1.347 5.527 6.906 -0.0563 0.3574 -1.2341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9165 2530SOL HW2 9163 1.193 5.478 6.885 -0.0452 0.8481 -2.5741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9166 2531SOL OW 9164 0.393 4.059 0.179 -0.2000 0.5597 0.0248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9167 2531SOL HW1 9165 0.345 4.147 0.182 -0.3966 0.4562 -0.1348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9168 2531SOL HW2 9166 0.433 4.046 0.089 0.3452 0.7615 0.2352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9169 2532SOL OW 9167 1.363 5.135 6.448 -0.4500 0.3986 -0.1416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9170 2532SOL HW1 9168 1.368 5.180 6.537 -0.5963 0.3232 -0.0954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9171 2532SOL HW2 9169 1.363 5.036 6.461 0.5435 0.3666 -0.2713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9172 2533SOL OW 9170 1.558 5.509 6.243 -0.4489 -0.4377 -0.4480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9173 2533SOL HW1 9171 1.560 5.430 6.181 0.6840 -0.0776 -0.9012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9174 2533SOL HW2 9172 1.587 5.591 6.193 -1.5760 0.2692 0.0283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9175 2534SOL OW 9173 0.680 4.355 5.916 0.2160 -0.2084 -0.1386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9176 2534SOL HW1 9174 0.653 4.452 5.921 -1.7739 -0.6934 -0.5272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9177 2534SOL HW2 9175 0.638 4.305 5.992 1.6033 -0.7194 0.3249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9178 2535SOL OW 9176 1.286 4.101 6.632 0.0356 0.6142 -0.1123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9179 2535SOL HW1 9177 1.208 4.071 6.685 0.4573 1.4553 1.0366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9180 2535SOL HW2 9178 1.336 4.022 6.596 -1.1096 0.0736 -0.5362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9181 2536SOL OW 9179 1.506 5.310 6.013 0.0716 0.3120 -0.3412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9182 2536SOL HW1 9180 1.604 5.329 6.023 -0.6930 3.9159 3.0641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9183 2536SOL HW2 9181 1.479 5.321 5.918 2.8135 -0.1761 -1.2667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9184 2537SOL OW 9182 0.824 4.174 7.126 0.1087 0.0214 0.2377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9185 2537SOL HW1 9183 0.872 4.117 7.192 -1.5743 -0.3829 1.1736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9186 2537SOL HW2 9184 0.772 4.116 7.063 -2.1343 0.4251 1.5881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9187 2538SOL OW 9185 1.089 4.522 7.033 0.6429 -0.3608 0.5340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9188 2538SOL HW1 9186 1.029 4.473 7.096 0.1719 1.6872 1.7822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9189 2538SOL HW2 9187 1.035 4.561 6.959 0.3904 1.3273 1.5578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9190 2539SOL OW 9188 1.169 3.967 6.959 -0.2878 -0.1265 0.3927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9191 2539SOL HW1 9189 1.212 4.052 6.991 -0.5194 0.8826 -1.8018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9192 2539SOL HW2 9190 1.091 3.989 6.900 -0.8091 -1.8965 0.3601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9193 2540SOL OW 9191 1.121 4.399 5.855 -0.1517 0.4012 0.4534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9194 2540SOL HW1 9192 1.108 4.439 5.946 -1.5172 0.2101 0.3581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9195 2540SOL HW2 9193 1.042 4.343 5.831 -0.3160 1.3080 -1.3027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9196 2541SOL OW 9194 0.268 4.489 6.616 0.5053 0.0678 -0.3514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9197 2541SOL HW1 9195 0.280 4.391 6.605 -0.5070 -0.2029 0.8134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9198 2541SOL HW2 9196 0.351 4.536 6.585 0.6901 -1.0759 -1.6986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9199 2542SOL OW 9197 0.121 5.754 7.178 0.4097 -0.1797 0.1650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9200 2542SOL HW1 9198 0.067 5.779 7.258 1.8408 -0.9900 1.4365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9201 2542SOL HW2 9199 0.083 5.671 7.137 -0.2192 0.1333 0.0940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9202 2543SOL OW 9200 0.778 4.005 5.667 -0.2854 -0.0618 0.2642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9203 2543SOL HW1 9201 0.832 4.000 5.583 -0.0486 -0.1387 0.4191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9204 2543SOL HW2 9202 0.684 3.978 5.648 0.2325 -2.2015 0.4536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9205 2544SOL OW 9203 1.340 4.770 6.067 0.0328 0.2392 0.4585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9206 2544SOL HW1 9204 1.424 4.823 6.056 -0.6863 1.4135 0.4096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9207 2544SOL HW2 9205 1.266 4.831 6.096 -0.8880 -0.7131 0.1740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9208 2545SOL OW 9206 0.555 3.663 6.467 0.3659 -0.8678 -0.4210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9209 2545SOL HW1 9207 0.523 3.746 6.513 0.1114 -0.8248 -0.6713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9210 2545SOL HW2 9208 0.588 3.687 6.376 0.7457 -0.9705 -0.3093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9211 2546SOL OW 9209 0.939 5.032 6.303 0.1040 -0.5666 0.5739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9212 2546SOL HW1 9210 1.008 5.100 6.326 -0.1750 -0.3245 0.7098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9213 2546SOL HW2 9211 0.934 4.964 6.375 -1.5203 0.7793 1.8367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9214 2547SOL OW 9212 0.229 5.422 6.227 -0.3471 0.1492 0.2246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9215 2547SOL HW1 9213 0.135 5.390 6.237 0.0974 -1.4731 -0.4637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9216 2547SOL HW2 9214 0.280 5.405 6.311 -0.7944 1.5388 0.7927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9217 2548SOL OW 9215 1.864 4.783 6.448 0.4592 0.2275 0.5416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9218 2548SOL HW1 9216 1.881 4.688 6.420 0.6440 -0.1751 1.9498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9219 2548SOL HW2 9217 1.772 4.791 6.486 0.1955 0.7727 -0.1922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9220 2549SOL OW 9218 1.231 5.210 7.019 -0.7018 0.2827 0.2226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9221 2549SOL HW1 9219 1.147 5.167 6.987 -0.1588 -1.9677 1.5516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9222 2549SOL HW2 9220 1.251 5.291 6.964 -2.2306 -0.7212 -1.9372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9223 2550SOL OW 9221 0.392 4.671 5.854 0.0053 -0.1955 -0.3017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9224 2550SOL HW1 9222 0.490 4.689 5.848 -0.2676 1.3942 -0.6411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9225 2550SOL HW2 9223 0.361 4.626 5.771 0.1094 1.2851 -1.1905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9226 2551SOL OW 9224 1.515 4.519 6.429 -0.3328 0.2177 0.9689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9227 2551SOL HW1 9225 1.516 4.454 6.506 1.2915 -0.5610 0.3365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9228 2551SOL HW2 9226 1.607 4.551 6.412 -0.3612 -0.8802 -1.6654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9229 2552SOL OW 9227 0.195 4.982 0.143 0.0761 0.3661 0.4942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9230 2552SOL HW1 9228 0.243 5.022 0.066 -3.4688 0.2872 -1.9954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9231 2552SOL HW2 9229 0.174 4.886 0.124 -4.1212 1.2450 -0.4751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9232 2553SOL OW 9230 1.130 5.649 5.738 0.0336 0.1701 0.5517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9233 2553SOL HW1 9231 1.083 5.731 5.771 -1.2791 -0.9776 1.6338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9234 2553SOL HW2 9232 1.139 5.584 5.813 -3.8175 -2.9046 -1.3005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9235 2554SOL OW 9233 0.031 3.943 6.890 0.8858 0.0833 0.1528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9236 2554SOL HW1 9234 0.014 4.025 6.944 1.7294 0.1322 0.3613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9237 2554SOL HW2 9235 0.029 3.862 6.949 1.7196 0.1266 0.2425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9238 2555SOL OW 9236 1.548 5.058 5.561 -0.7920 0.0704 0.0569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9239 2555SOL HW1 9237 1.544 5.153 5.530 0.6589 -0.2837 -1.3900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9240 2555SOL HW2 9238 1.455 5.023 5.575 -1.4607 0.9835 -1.7945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9241 2556SOL OW 9239 0.509 5.381 6.174 -0.0774 -0.9015 -0.1101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9242 2556SOL HW1 9240 0.520 5.283 6.161 0.0654 -1.1760 1.7955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9243 2556SOL HW2 9241 0.413 5.406 6.168 -0.1476 -1.2157 -0.2666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9244 2557SOL OW 9242 1.243 3.703 5.904 0.4231 0.1396 0.2764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9245 2557SOL HW1 9243 1.223 3.688 5.807 -0.4767 1.5406 0.2199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9246 2557SOL HW2 9244 1.339 3.681 5.922 1.2298 2.0085 -1.4233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9247 2558SOL OW 9245 0.353 5.492 6.874 0.3225 0.4355 0.3940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9248 2558SOL HW1 9246 0.444 5.511 6.913 -0.7032 -0.1834 3.4170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9249 2558SOL HW2 9247 0.353 5.514 6.777 3.1262 2.3155 0.6896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9250 2559SOL OW 9248 0.969 5.419 6.448 -0.1922 -0.0435 -0.5841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9251 2559SOL HW1 9249 1.039 5.357 6.413 0.0494 -0.3423 0.3784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9252 2559SOL HW2 9250 0.889 5.417 6.389 -0.2019 -1.3152 -0.5547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9253 2560SOL OW 9251 0.520 4.227 6.087 0.2761 -0.2780 -0.0861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9254 2560SOL HW1 9252 0.496 4.139 6.047 1.4366 -0.4565 -0.4267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9255 2560SOL HW2 9253 0.437 4.274 6.117 -0.3895 -1.2840 -0.3137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9256 2561SOL OW 9254 0.509 3.898 5.597 -0.3553 -0.0080 -0.0792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9257 2561SOL HW1 9255 0.462 3.810 5.595 -0.0691 -0.1574 -1.5869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9258 2561SOL HW2 9256 0.449 3.969 5.561 0.1421 0.0164 -0.8822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9259 2562SOL OW 9257 0.535 4.071 7.199 0.1797 -0.3152 0.2931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9260 2562SOL HW1 9258 0.592 4.152 7.209 0.0060 0.0320 -1.3437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9261 2562SOL HW2 9259 0.593 3.990 7.187 0.3818 0.1238 -2.0226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9262 2563SOL OW 9260 0.905 5.329 6.710 0.0811 0.3970 -0.0031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9263 2563SOL HW1 9261 0.863 5.239 6.700 1.2857 -0.3391 1.2039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9264 2563SOL HW2 9262 0.936 5.362 6.621 -1.3910 0.1706 -0.6351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9265 2564SOL OW 9263 1.295 4.224 7.006 -0.4210 -0.0929 -0.4046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9266 2564SOL HW1 9264 1.370 4.190 6.950 -0.8593 -0.9129 -0.5139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9267 2564SOL HW2 9265 1.240 4.289 6.954 -2.6576 -3.0839 -2.1570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9268 2565SOL OW 9266 0.775 4.964 6.550 0.1741 0.2165 -0.4395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9269 2565SOL HW1 9267 0.869 4.933 6.557 0.5699 1.5135 0.5533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9270 2565SOL HW2 9268 0.722 4.901 6.494 1.0107 -1.9455 1.0691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9271 2566SOL OW 9269 0.847 4.108 6.349 0.1738 -0.0977 0.2760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9272 2566SOL HW1 9270 0.886 4.171 6.282 1.3870 -0.8907 0.2056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9273 2566SOL HW2 9271 0.866 4.014 6.321 0.3510 -0.4503 1.5133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9274 2567SOL OW 9272 0.319 3.580 5.933 0.1911 -0.0393 0.0086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9275 2567SOL HW1 9273 0.337 3.491 5.974 1.1998 -0.3203 -1.0025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9276 2567SOL HW2 9274 0.294 3.645 6.004 -3.3467 -1.7407 0.5503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9277 2568SOL OW 9275 1.302 4.973 5.637 -0.0638 -0.1601 0.6107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9278 2568SOL HW1 9276 1.345 4.899 5.688 1.2187 0.5173 0.5774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9279 2568SOL HW2 9277 1.235 5.019 5.695 -0.8488 -1.3167 0.6334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9280 2569SOL OW 9278 0.176 3.884 5.613 -0.2285 -0.8002 -0.1244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9281 2569SOL HW1 9279 0.231 3.967 5.604 -1.4763 -0.1354 -2.7901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9282 2569SOL HW2 9280 0.236 3.805 5.628 1.2139 0.2344 -0.2389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9283 2570SOL OW 9281 0.885 3.982 5.947 -0.4308 0.3106 -0.1909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9284 2570SOL HW1 9282 0.855 3.998 5.853 0.7538 2.8812 -0.2388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9285 2570SOL HW2 9283 0.980 3.949 5.947 -0.2703 0.7550 0.0779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9286 2571SOL OW 9284 0.915 4.422 7.226 0.2549 0.3298 0.2866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9287 2571SOL HW1 9285 0.870 4.337 7.199 0.5342 0.2433 0.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9288 2571SOL HW2 9286 0.970 4.406 7.308 -0.3551 0.5203 0.7300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9289 2572SOL OW 9287 1.145 5.216 6.315 -0.0105 0.2440 -0.3590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9290 2572SOL HW1 9288 1.189 5.233 6.227 0.6094 0.7388 0.0334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9291 2572SOL HW2 9289 1.211 5.172 6.377 -0.5632 -0.4748 -0.2649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9292 2573SOL OW 9290 0.649 4.453 6.269 0.8835 -0.4783 0.5603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9293 2573SOL HW1 9291 0.569 4.512 6.261 1.1925 -0.2232 -0.9513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9294 2573SOL HW2 9292 0.629 4.364 6.228 1.1032 -0.7084 0.9438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9295 2574SOL OW 9293 1.152 5.541 6.008 -0.0839 -0.2760 0.3415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9296 2574SOL HW1 9294 1.202 5.577 6.087 -0.1274 -1.5908 0.9949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9297 2574SOL HW2 9295 1.054 5.540 6.027 -0.1112 -0.4398 0.1974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9298 2575SOL OW 9296 1.063 4.200 5.393 0.5662 0.1219 0.3682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9299 2575SOL HW1 9297 1.034 4.289 5.356 -1.8215 -1.0230 -0.7155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9300 2575SOL HW2 9298 1.097 4.213 5.486 -0.0941 2.1356 0.3888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9301 2576SOL OW 9299 0.069 4.166 7.058 -0.0163 -0.3633 0.3796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9302 2576SOL HW1 9300 0.162 4.154 7.023 -0.3087 -1.0800 -0.1902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9303 2576SOL HW2 9301 0.034 4.256 7.030 0.6138 0.0360 0.8649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9304 2577SOL OW 9302 0.547 3.815 6.907 -0.0140 -0.3666 0.3882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9305 2577SOL HW1 9303 0.489 3.822 6.827 0.5161 -0.2312 0.0089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9306 2577SOL HW2 9304 0.501 3.762 6.978 -0.1471 -1.2095 -0.3156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9307 2578SOL OW 9305 0.907 4.222 6.097 -0.1274 0.8738 0.4703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9308 2578SOL HW1 9306 0.874 4.292 6.034 0.6351 0.7447 -0.0929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9309 2578SOL HW2 9307 0.896 4.132 6.056 0.9556 0.8317 0.2320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9310 2579SOL OW 9308 0.856 3.863 6.199 -0.0398 0.8237 -0.1020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9311 2579SOL HW1 9309 0.862 3.893 6.104 0.6837 1.7961 0.2261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9312 2579SOL HW2 9310 0.932 3.800 6.218 -0.1775 0.6388 -0.1619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9313 2580SOL OW 9311 1.306 4.832 6.462 -0.5200 0.1745 -0.0054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9314 2580SOL HW1 9312 1.294 4.742 6.504 0.1798 0.6923 1.3725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9315 2580SOL HW2 9313 1.386 4.830 6.402 0.3863 0.2180 1.1475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9316 2581SOL OW 9314 1.543 4.316 6.607 -0.2507 -0.4197 0.1448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9317 2581SOL HW1 9315 1.502 4.232 6.645 -0.1050 -0.8960 -0.7291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9318 2581SOL HW2 9316 1.620 4.344 6.665 -0.5795 -0.6293 0.6958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9319 2582SOL OW 9317 1.606 4.340 5.939 -0.6192 0.6067 0.1722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9320 2582SOL HW1 9318 1.630 4.255 5.986 0.1233 0.1595 -0.9981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9321 2582SOL HW2 9319 1.533 4.323 5.873 -1.7719 1.2682 1.2272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9322 2583SOL OW 9320 0.550 5.270 5.743 0.0366 -0.3590 0.6074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9323 2583SOL HW1 9321 0.493 5.347 5.715 1.0949 -0.2803 -1.5796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9324 2583SOL HW2 9322 0.522 5.188 5.692 1.5976 -0.3971 -0.2473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9325 2584SOL OW 9323 1.767 4.982 6.198 0.4482 0.4593 -0.5979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9326 2584SOL HW1 9324 1.829 5.034 6.139 -0.2954 1.2164 -0.7322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9327 2584SOL HW2 9325 1.714 5.045 6.254 -1.9465 0.0100 -2.2178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9328 2585SOL OW 9326 1.338 4.319 5.513 -0.8913 -0.3822 -0.1083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9329 2585SOL HW1 9327 1.264 4.259 5.543 -0.9824 -0.1516 0.1352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9330 2585SOL HW2 9328 1.422 4.294 5.560 -0.7337 -0.8602 -0.6318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9331 2586SOL OW 9329 0.406 4.042 5.877 -0.1572 0.3801 0.2813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9332 2586SOL HW1 9330 0.449 4.008 5.793 0.2158 -0.3638 0.7635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9333 2586SOL HW2 9331 0.381 4.138 5.864 1.0461 0.6505 -0.2556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9334 2587SOL OW 9332 1.596 4.960 7.150 -0.2481 -0.4304 0.1691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9335 2587SOL HW1 9333 1.630 5.045 7.110 -0.1951 -1.0276 -1.0914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9336 2587SOL HW2 9334 1.498 4.968 7.169 -0.2858 -0.1541 -0.1377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9337 2588SOL OW 9335 0.639 5.113 0.000 -0.3821 -0.3709 -0.4473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9338 2588SOL HW1 9336 0.574 5.037 -0.004 0.5471 -1.2733 0.6907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9339 2588SOL HW2 9337 0.634 5.165 -0.085 -0.9680 -1.7620 -1.3122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9340 2589SOL OW 9338 0.983 5.129 6.932 -0.5837 0.1529 0.0609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9341 2589SOL HW1 9339 0.934 5.092 7.010 -0.4340 -0.4245 -0.1167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9342 2589SOL HW2 9340 0.918 5.145 6.857 -0.5024 -0.6187 -0.1770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9343 2590SOL OW 9341 1.631 4.811 6.586 -0.2618 -0.5570 -0.0633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9344 2590SOL HW1 9342 1.610 4.866 6.667 2.1051 2.4186 -1.2543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9345 2590SOL HW2 9343 1.571 4.837 6.511 0.4807 0.0048 -0.4719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9346 2591SOL OW 9344 1.049 3.717 6.982 0.3833 0.0944 0.2998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9347 2591SOL HW1 9345 1.062 3.659 6.902 -0.2614 -0.5486 0.6460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9348 2591SOL HW2 9346 1.090 3.807 6.965 -3.4858 1.6026 -2.5953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9349 2592SOL OW 9347 0.889 4.746 5.953 -0.1117 0.2297 -0.2586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9350 2592SOL HW1 9348 0.918 4.706 6.041 -2.0407 0.5869 0.5927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9351 2592SOL HW2 9349 0.933 4.697 5.878 2.9906 1.0225 0.8902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9352 2593SOL OW 9350 0.612 4.341 6.735 -0.1646 -0.1624 -0.1709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9353 2593SOL HW1 9351 0.630 4.381 6.825 0.2688 0.4026 -0.5012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9354 2593SOL HW2 9352 0.549 4.265 6.744 0.6815 -0.7808 0.7560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9355 2594SOL OW 9353 1.427 3.905 6.888 0.1244 0.5811 0.2274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9356 2594SOL HW1 9354 1.481 3.989 6.894 -0.5730 1.0081 0.6381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9357 2594SOL HW2 9355 1.330 3.926 6.900 -0.1954 -0.1181 -0.9255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9358 2595SOL OW 9356 7.224 5.173 6.995 -0.7614 -0.3234 -0.1270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9359 2595SOL HW1 9357 7.202 5.212 7.084 0.3567 0.4337 -0.1667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9360 2595SOL HW2 9358 7.314 5.205 6.965 -0.1414 -2.3327 -0.5210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9361 2596SOL OW 9359 0.192 4.821 5.983 -0.5396 -0.4781 0.4165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9362 2596SOL HW1 9360 0.129 4.851 5.911 1.3462 0.3293 -0.9792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9363 2596SOL HW2 9361 0.269 4.773 5.941 1.7049 1.8577 1.6628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9364 2597SOL OW 9362 0.616 3.771 6.233 0.2846 -0.0806 -0.2471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9365 2597SOL HW1 9363 0.544 3.816 6.179 0.4113 -0.2192 -0.5375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9366 2597SOL HW2 9364 0.702 3.819 6.219 -0.0148 0.9278 1.1904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9367 2598SOL OW 9365 1.172 4.990 6.114 -0.5057 0.7149 0.0933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9368 2598SOL HW1 9366 1.222 5.077 6.120 -1.3283 1.1662 0.5523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9369 2598SOL HW2 9367 1.097 4.990 6.180 -1.9910 0.6294 -1.5394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9370 2599SOL OW 9368 1.384 5.343 6.647 -0.0011 -0.1087 -0.2831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9371 2599SOL HW1 9369 1.331 5.378 6.724 0.2364 -1.0171 0.3229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9372 2599SOL HW2 9370 1.420 5.418 6.593 0.4505 0.5782 0.9310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9373 2600SOL OW 9371 1.298 4.207 5.947 -0.4476 0.3319 -0.4798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9374 2600SOL HW1 9372 1.308 4.238 6.041 2.6134 1.6831 -1.1486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9375 2600SOL HW2 9373 1.239 4.271 5.897 -0.6003 0.6100 0.0480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9376 2601SOL OW 9374 0.218 5.236 6.899 0.7344 -0.2537 0.3560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9377 2601SOL HW1 9375 0.298 5.193 6.858 0.6043 -0.1840 0.0243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9378 2601SOL HW2 9376 0.222 5.335 6.885 -0.3751 -0.3996 -1.4393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9379 2602SOL OW 9377 0.600 4.674 6.988 -0.8946 0.4009 -0.3373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9380 2602SOL HW1 9378 0.670 4.696 7.056 0.2002 0.0198 -1.3210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9381 2602SOL HW2 9379 0.515 4.649 7.035 -0.1102 -0.0570 0.8845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9382 2603SOL OW 9380 1.712 4.521 0.047 0.0630 0.0972 -0.2902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9383 2603SOL HW1 9381 1.706 4.620 0.046 -0.3779 0.1860 2.7361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9384 2603SOL HW2 9382 1.625 4.481 0.018 -0.9159 0.7080 1.6445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9385 2604SOL OW 9383 0.553 4.566 6.612 0.5235 0.4069 -0.0630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9386 2604SOL HW1 9384 0.610 4.639 6.650 -1.5321 1.5912 0.8902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9387 2604SOL HW2 9385 0.560 4.485 6.670 0.4292 0.8967 0.6472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9388 2605SOL OW 9386 1.193 4.683 6.753 -0.1159 0.1925 -0.2593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9389 2605SOL HW1 9387 1.227 4.648 6.840 -0.9258 1.8164 0.7664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9390 2605SOL HW2 9388 1.191 4.609 6.686 1.0914 -0.9601 0.9153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9391 2606SOL OW 9389 1.150 4.146 5.656 -0.3262 -0.1048 0.1316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9392 2606SOL HW1 9390 1.179 4.053 5.636 -0.9758 -0.1459 -0.7080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9393 2606SOL HW2 9391 1.099 4.148 5.742 -0.3850 -0.5450 0.1067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9394 2607SOL OW 9392 0.261 3.812 6.799 -0.4296 -0.2329 -0.3690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9395 2607SOL HW1 9393 0.181 3.862 6.833 -0.2420 0.2589 -0.6400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9396 2607SOL HW2 9394 0.266 3.723 6.843 -1.7661 -0.7254 -1.1609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9397 2608SOL OW 9395 0.038 4.907 6.926 0.4801 0.5562 0.1987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9398 2608SOL HW1 9396 -0.018 4.846 6.982 -0.2596 1.0617 0.0191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9399 2608SOL HW2 9397 0.025 5.001 6.956 0.8972 0.7224 -0.1410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9400 2609SOL OW 9398 0.795 4.131 6.650 0.3932 -0.7556 0.3809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9401 2609SOL HW1 9399 0.812 4.113 6.553 0.1465 -2.0702 0.5565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9402 2609SOL HW2 9400 0.750 4.219 6.661 2.7322 0.6361 -0.4859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9403 2610SOL OW 9401 0.144 3.685 6.180 -0.2153 -0.0771 -0.1897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9404 2610SOL HW1 9402 0.217 3.746 6.208 0.6601 0.1927 -2.8044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9405 2610SOL HW2 9403 0.139 3.607 6.242 0.5973 1.1433 1.4667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9406 2611SOL OW 9404 1.416 4.030 5.772 0.9326 0.3255 -0.3701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9407 2611SOL HW1 9405 1.460 3.967 5.835 -1.0045 0.4006 1.1614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9408 2611SOL HW2 9406 1.357 4.093 5.823 -1.7562 -0.4325 -2.2962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9409 2612SOL OW 9407 1.190 4.395 6.788 -0.4306 0.5305 0.6338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9410 2612SOL HW1 9408 1.096 4.362 6.796 -0.5237 0.9606 1.4246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9411 2612SOL HW2 9409 1.242 4.334 6.728 -1.2620 0.4027 0.0303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9412 2613SOL OW 9410 1.680 5.241 7.225 -0.0082 -0.2777 0.1239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9413 2613SOL HW1 9411 1.667 5.319 7.165 0.9035 0.0323 0.3105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9414 2613SOL HW2 9412 1.767 5.250 7.274 -0.2681 -1.0070 0.7540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9415 2614SOL OW 9413 1.259 3.898 5.595 -0.1651 0.2014 -0.7239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9416 2614SOL HW1 9414 1.243 3.801 5.613 -0.4497 0.1429 -1.2639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9417 2614SOL HW2 9415 1.333 3.932 5.654 1.1099 -0.7610 -1.7166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9418 2615SOL OW 9416 1.299 4.613 5.511 0.0212 0.2446 0.0310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9419 2615SOL HW1 9417 1.331 4.519 5.522 0.0785 0.1563 -0.7951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9420 2615SOL HW2 9418 1.351 4.657 5.438 -1.0975 0.3945 -0.6911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9421 2616SOL OW 9419 1.018 4.862 6.509 -0.5604 0.0893 0.5079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9422 2616SOL HW1 9420 0.988 4.774 6.545 -1.2667 -0.2859 -0.9116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9423 2616SOL HW2 9421 1.117 4.860 6.495 -0.4862 -0.2590 1.0439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9424 2617SOL OW 9422 0.328 4.210 6.554 0.3637 0.0609 0.6010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9425 2617SOL HW1 9423 0.394 4.193 6.480 -0.1989 -2.2267 0.5470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9426 2617SOL HW2 9424 0.373 4.200 6.642 0.7626 1.6306 0.6076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9427 2618SOL OW 9425 0.473 3.891 6.614 0.0506 -0.2880 -0.2210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9428 2618SOL HW1 9426 0.381 3.853 6.600 -0.0552 0.3008 -1.1997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9429 2618SOL HW2 9427 0.488 3.965 6.549 0.9873 0.0435 0.3709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9430 2619SOL OW 9428 1.220 4.184 0.002 0.4775 -0.0244 0.2924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9431 2619SOL HW1 9429 1.283 4.206 0.077 0.3552 2.6939 -0.2823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9432 2619SOL HW2 9430 1.268 4.195 -0.086 -0.1916 -0.0778 -0.0843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9433 2620SOL OW 9431 6.952 5.004 5.793 -0.0660 0.0729 -0.4346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9434 2620SOL HW1 9432 6.876 5.057 5.757 -0.0237 -0.6411 -1.6237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9435 2620SOL HW2 9433 6.917 4.922 5.840 -0.0360 -1.4507 -2.9090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9436 2621SOL OW 9434 0.365 5.351 6.443 0.0588 -0.5048 -0.5603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9437 2621SOL HW1 9435 0.314 5.296 6.508 -0.1014 -0.5966 -0.7639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9438 2621SOL HW2 9436 0.421 5.291 6.385 0.6901 -0.3821 -0.0891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9439 2622SOL OW 9437 0.592 5.153 6.320 0.1528 0.3023 -0.0943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9440 2622SOL HW1 9438 0.590 5.099 6.404 0.7200 2.2393 1.2471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9441 2622SOL HW2 9439 0.684 5.188 6.306 -0.3490 1.4961 -0.4975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9442 2623SOL OW 9440 0.923 4.428 6.815 0.4703 0.2132 0.0780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9443 2623SOL HW1 9441 0.890 4.455 6.725 0.8165 -3.1604 -1.1911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9444 2623SOL HW2 9442 0.846 4.422 6.878 0.3517 3.6652 0.4521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9445 2624SOL OW 9443 0.056 4.160 6.487 -0.4848 -0.1521 -0.6813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9446 2624SOL HW1 9444 0.005 4.109 6.555 0.8106 0.3783 0.7532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9447 2624SOL HW2 9445 0.152 4.168 6.516 -0.4860 2.5400 -1.1107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9448 2625SOL OW 9446 0.908 4.265 5.752 -0.1043 0.4133 0.2005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9449 2625SOL HW1 9447 0.895 4.188 5.689 -0.0910 1.4878 -1.1770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9450 2625SOL HW2 9448 0.825 4.280 5.804 -0.0808 -0.5754 0.5337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9451 2626SOL OW 9449 1.795 4.353 6.729 0.1739 -0.6015 -0.5367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9452 2626SOL HW1 9450 1.831 4.353 6.823 0.1042 0.1574 -0.5034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9453 2626SOL HW2 9451 1.867 4.324 6.666 1.0627 1.4157 -0.5316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9454 2627SOL OW 9452 0.040 5.382 7.198 -0.7373 0.1826 0.1258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9455 2627SOL HW1 9453 0.021 5.462 7.141 0.0447 -0.2724 -0.7943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9456 2627SOL HW2 9454 -0.047 5.339 7.225 -1.1141 0.3377 -0.8161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9457 2628SOL OW 9455 0.729 4.012 6.927 0.1882 -0.4359 -0.2928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9458 2628SOL HW1 9456 0.659 3.940 6.926 0.0201 -0.2722 -0.4564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9459 2628SOL HW2 9457 0.760 4.030 6.834 -2.5144 2.3171 -0.8377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9460 2629SOL OW 9458 1.018 5.475 6.988 0.8421 -0.3227 -0.2039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9461 2629SOL HW1 9459 0.979 5.385 6.967 -1.3192 0.7584 -1.1042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9462 2629SOL HW2 9460 1.037 5.480 7.086 0.8980 -1.7099 -0.1153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9463 2630SOL OW 9461 0.417 4.302 5.758 -0.3642 0.2956 0.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9464 2630SOL HW1 9462 0.502 4.318 5.808 -0.3894 -1.3222 0.6482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9465 2630SOL HW2 9463 0.370 4.390 5.744 1.0997 1.1400 0.2062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9466 2631SOL OW 9464 7.191 4.696 7.131 -0.6442 -0.4474 -0.4086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9467 2631SOL HW1 9465 7.187 4.684 7.230 -0.3008 0.5147 -0.2684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9468 2631SOL HW2 9466 7.209 4.608 7.087 0.5672 -0.6567 0.4701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9469 2632SOL OW 9467 0.973 4.822 6.831 -0.2328 -0.1350 0.1412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9470 2632SOL HW1 9468 1.040 4.773 6.776 -2.8974 -1.4204 -2.1645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9471 2632SOL HW2 9469 0.997 4.919 6.833 1.7313 -0.5664 -0.4783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9472 2633SOL OW 9470 1.351 4.742 5.761 -0.1978 0.0567 0.7724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9473 2633SOL HW1 9471 1.325 4.695 5.845 0.2915 -0.2383 0.7651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9474 2633SOL HW2 9472 1.329 4.686 5.682 0.0524 -0.0074 0.7456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9475 2634SOL OW 9473 1.741 5.431 6.793 0.0612 -0.3357 -0.0924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9476 2634SOL HW1 9474 1.743 5.530 6.778 -0.4855 -0.3168 -0.0744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9477 2634SOL HW2 9475 1.758 5.384 6.706 1.7018 -0.2336 0.1561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9478 2635SOL OW 9476 1.167 5.733 6.557 -0.0156 0.5574 -0.1314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9479 2635SOL HW1 9477 1.232 5.674 6.509 -0.3007 0.1088 0.0283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9480 2635SOL HW2 9478 1.193 5.742 6.653 0.6129 1.5381 -0.3789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9481 2636SOL OW 9479 0.024 5.074 6.451 0.0472 -0.5655 0.1424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9482 2636SOL HW1 9480 0.034 5.004 6.522 -3.0220 0.2811 1.6166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9483 2636SOL HW2 9481 -0.039 5.040 6.381 0.0373 0.0341 -0.1328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9484 2637SOL OW 9482 1.592 3.903 5.936 -0.0742 -0.1392 -0.0667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9485 2637SOL HW1 9483 1.665 3.944 5.882 -0.1771 -0.1818 -0.2380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9486 2637SOL HW2 9484 1.599 3.803 5.931 0.4408 -0.1525 0.7050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9487 2638SOL OW 9485 1.250 5.279 6.078 -0.4972 0.0738 0.0487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9488 2638SOL HW1 9486 1.340 5.267 6.036 0.7873 -1.4758 2.9824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9489 2638SOL HW2 9487 1.210 5.366 6.049 1.7156 0.5823 -1.6731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9490 2639SOL OW 9488 1.304 4.558 6.248 -0.3147 0.1200 -0.2854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9491 2639SOL HW1 9489 1.390 4.536 6.295 -1.2917 -1.5841 0.8212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9492 2639SOL HW2 9490 1.317 4.639 6.190 2.7438 -1.6181 -2.2518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9493 2640SOL OW 9491 0.576 4.935 6.891 0.6623 -0.3301 0.1585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9494 2640SOL HW1 9492 0.561 4.849 6.940 2.0330 -0.4541 0.4018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9495 2640SOL HW2 9493 0.532 4.930 6.801 0.3365 -1.1080 0.3572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9496 2641SOL OW 9494 0.883 5.342 5.763 0.0183 0.0303 -0.0875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9497 2641SOL HW1 9495 0.969 5.346 5.711 0.0309 -0.3804 -0.0965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9498 2641SOL HW2 9496 0.840 5.253 5.750 -1.2771 0.8025 -1.4853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9499 2642SOL OW 9497 1.570 5.432 7.041 -0.0792 0.0334 -0.2636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9500 2642SOL HW1 9498 1.645 5.431 6.975 1.4641 1.9915 1.3402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9501 2642SOL HW2 9499 1.510 5.509 7.022 -0.6003 -0.3985 -0.3832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9502 2643SOL OW 9500 1.746 3.917 6.491 -0.9623 -0.1643 -0.0657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9503 2643SOL HW1 9501 1.803 3.855 6.436 0.3588 -1.4742 2.5657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9504 2643SOL HW2 9502 1.651 3.908 6.463 -0.3513 -0.6975 -2.1461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9505 2644SOL OW 9503 0.301 3.941 6.282 0.2943 -0.1966 0.5722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9506 2644SOL HW1 9504 0.242 4.019 6.261 0.0008 -0.0454 1.8680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9507 2644SOL HW2 9505 0.281 3.907 6.374 2.4575 0.0774 1.2086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9508 2645SOL OW 9506 1.156 5.184 5.729 -0.5711 0.3566 -0.5330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9509 2645SOL HW1 9507 1.084 5.143 5.785 -1.3426 1.2821 -0.8295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9510 2645SOL HW2 9508 1.115 5.230 5.650 0.1918 2.1949 0.0817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9511 2646SOL OW 9509 0.733 4.700 6.762 0.1284 0.6274 -0.3947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9512 2646SOL HW1 9510 0.813 4.753 6.788 -1.5789 3.9483 -1.2281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9513 2646SOL HW2 9511 0.672 4.690 6.841 -0.9282 2.7957 -0.8328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9514 2647SOL OW 9512 1.041 4.642 5.742 -0.1041 -0.1829 0.0010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9515 2647SOL HW1 9513 1.036 4.652 5.642 1.0950 -0.8076 -0.1438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9516 2647SOL HW2 9514 1.054 4.546 5.765 -0.8474 -0.1024 0.8008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9517 2648SOL OW 9515 1.401 5.344 5.739 -0.1036 -0.0752 0.2626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9518 2648SOL HW1 9516 1.327 5.277 5.742 0.4576 -0.7302 -0.2012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9519 2648SOL HW2 9517 1.428 5.360 5.644 2.3766 -2.1587 0.4878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9520 2649SOL OW 9518 0.347 5.008 7.182 -0.4278 -0.8950 0.2673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9521 2649SOL HW1 9519 0.356 5.081 7.115 -1.3525 -0.7410 0.2990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9522 2649SOL HW2 9520 0.384 4.923 7.144 0.3338 -0.5012 0.1027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9523 2650SOL OW 9521 1.593 5.004 6.753 -0.1158 0.5442 0.2812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9524 2650SOL HW1 9522 1.693 5.009 6.758 -0.1998 1.7467 1.4697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9525 2650SOL HW2 9523 1.554 5.051 6.832 -1.6344 0.7125 -0.5392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9526 2651SOL OW 9524 1.137 4.580 6.474 -0.2559 0.0677 -0.0640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9527 2651SOL HW1 9525 1.040 4.563 6.456 0.0218 -0.2900 -1.3218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9528 2651SOL HW2 9526 1.189 4.570 6.389 0.7703 1.1596 0.3981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9529 2652SOL OW 9527 1.031 4.066 6.766 -0.0033 0.3421 0.1730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9530 2652SOL HW1 9528 0.948 4.121 6.753 -0.2512 0.2382 1.2576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9531 2652SOL HW2 9529 1.017 3.975 6.728 0.3561 0.9439 -1.5026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9532 2653SOL OW 9530 0.527 5.127 5.974 0.2108 -0.7379 0.1667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9533 2653SOL HW1 9531 0.606 5.121 6.035 0.4694 1.4449 0.1257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9534 2653SOL HW2 9532 0.550 5.182 5.895 -0.7883 -1.7370 -0.8715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9535 2654SOL OW 9533 1.563 4.146 6.843 -0.5235 0.4526 0.1744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9536 2654SOL HW1 9534 1.598 4.192 6.924 -1.0849 0.3081 0.5053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9537 2654SOL HW2 9535 1.625 4.072 6.817 -0.1644 0.7225 0.2684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9538 2655SOL OW 9536 0.007 4.924 5.826 -0.4064 0.8283 0.1353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9539 2655SOL HW1 9537 -0.053 4.852 5.790 1.2348 -0.9036 0.7295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9540 2655SOL HW2 9538 -0.039 4.971 5.900 -0.7360 -1.1107 1.2293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9541 2656SOL OW 9539 7.147 4.759 0.142 0.2548 -0.4947 -0.4792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9542 2656SOL HW1 9540 7.138 4.858 0.132 -1.0924 -0.3775 1.3476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9543 2656SOL HW2 9541 7.155 4.737 0.239 4.4553 -1.9318 -0.9429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9544 2657SOL OW 9542 0.765 3.684 7.094 0.9168 0.6339 0.1209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9545 2657SOL HW1 9543 0.823 3.711 7.018 0.7270 1.0670 0.1263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9546 2657SOL HW2 9544 0.747 3.764 7.152 0.5837 0.4339 0.2967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9547 2658SOL OW 9545 7.223 3.746 5.757 -0.2734 -0.4070 0.8447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9548 2658SOL HW1 9546 7.143 3.804 5.742 -0.9811 -1.3017 1.0302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9549 2658SOL HW2 9547 7.306 3.796 5.733 -0.9172 0.4290 0.3321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9550 2659SOL OW 9548 1.410 4.517 6.943 -0.0902 1.1105 0.4643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9551 2659SOL HW1 9549 1.354 4.460 6.883 -0.1157 1.4263 0.1896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9552 2659SOL HW2 9550 1.482 4.561 6.890 2.4844 -1.7684 1.2623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9553 2660SOL OW 9551 7.193 3.955 6.110 0.0225 -0.8557 -0.0527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9554 2660SOL HW1 9552 7.207 3.861 6.080 -0.2166 -0.8141 -0.3008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9555 2660SOL HW2 9553 7.126 3.956 6.185 1.0674 -1.0189 0.8991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9556 2661SOL OW 9554 1.105 4.920 5.846 -0.6691 -0.1739 0.3018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9557 2661SOL HW1 9555 1.074 4.826 5.829 -2.3153 0.7688 -2.7212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9558 2661SOL HW2 9556 1.124 4.932 5.943 -4.2538 -2.5716 1.5083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9559 2662SOL OW 9557 0.715 4.415 6.981 0.6071 -0.1138 -0.1389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9560 2662SOL HW1 9558 0.737 4.341 7.044 0.3278 1.0811 1.3978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9561 2662SOL HW2 9559 0.683 4.494 7.031 -2.0092 0.0838 -1.9293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9562 2663SOL OW 9560 1.397 5.617 6.426 0.7976 -0.4271 0.0244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9563 2663SOL HW1 9561 1.461 5.644 6.498 1.7387 -0.1593 -0.8920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9564 2663SOL HW2 9562 1.447 5.572 6.352 0.1810 1.1864 -1.4318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9565 2664SOL OW 9563 0.589 4.344 0.051 0.0548 -0.2628 -0.3072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9566 2664SOL HW1 9564 0.609 4.440 0.070 -0.9302 -0.5390 2.6665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9567 2664SOL HW2 9565 0.499 4.320 0.089 -0.1224 -2.1776 -1.7537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9568 2665SOL OW 9566 0.305 5.383 7.153 -0.1293 -0.3258 -0.4716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9569 2665SOL HW1 9567 0.290 5.454 7.084 -1.2075 -1.6085 -1.5992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9570 2665SOL HW2 9568 0.222 5.370 7.206 -0.2501 -1.3940 -0.9054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9571 2666SOL OW 9569 1.636 4.603 6.794 -0.1952 0.9014 -0.1184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9572 2666SOL HW1 9570 1.696 4.523 6.782 3.3018 2.9464 1.7744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9573 2666SOL HW2 9571 1.636 4.658 6.711 0.5103 0.8024 -0.1932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9574 2667SOL OW 9572 1.144 3.958 5.916 0.0793 -1.0793 -0.3885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9575 2667SOL HW1 9573 1.204 3.878 5.919 0.9013 -0.5414 -1.6192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9576 2667SOL HW2 9574 1.193 4.038 5.950 -0.4945 -0.9356 0.1291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9577 2668SOL OW 9575 0.527 4.064 6.414 -0.0662 0.3850 0.4174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9578 2668SOL HW1 9576 0.621 4.097 6.414 0.5571 -1.2753 1.3720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9579 2668SOL HW2 9577 0.498 4.047 6.319 2.1049 -2.9380 0.1728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9580 2669SOL OW 9578 1.792 4.805 6.967 -0.0635 0.0800 0.2129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9581 2669SOL HW1 9579 1.715 4.825 7.027 -0.4320 -0.1672 -0.1710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9582 2669SOL HW2 9580 1.762 4.745 6.893 0.8016 -1.1726 0.8319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9583 2670SOL OW 9581 0.863 5.044 5.811 -0.5715 -0.0773 0.6446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9584 2670SOL HW1 9582 0.838 5.058 5.906 1.7889 2.0390 1.0608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9585 2670SOL HW2 9583 0.946 4.988 5.806 -0.7802 -0.3280 -0.2033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9586 2671SOL OW 9584 0.627 5.351 6.653 -0.2959 0.2331 -0.1149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9587 2671SOL HW1 9585 0.618 5.434 6.598 -0.9711 0.1972 -0.0715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9588 2671SOL HW2 9586 0.711 5.354 6.706 -1.3025 1.8634 1.4837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9589 2672SOL OW 9587 0.857 4.575 6.548 -0.2772 -0.2810 0.5671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9590 2672SOL HW1 9588 0.804 4.534 6.474 0.1891 1.0587 -0.5789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9591 2672SOL HW2 9589 0.796 4.624 6.610 -0.5664 -0.3324 0.3260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9592 2673SOL OW 9590 1.040 4.666 5.475 -0.5793 0.1779 0.1517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9593 2673SOL HW1 9591 1.028 4.758 5.438 -2.7558 0.4739 1.4456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9594 2673SOL HW2 9592 1.136 4.639 5.466 -0.0305 2.2714 -0.8885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9595 2674SOL OW 9593 1.796 5.368 6.332 -0.6140 -0.2635 -0.1140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9596 2674SOL HW1 9594 1.731 5.430 6.288 0.8917 0.9412 -0.7289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9597 2674SOL HW2 9595 1.749 5.316 6.403 -2.0194 1.3116 0.1747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9598 2675SOL OW 9596 0.268 5.072 6.036 -0.0528 0.0814 0.3417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9599 2675SOL HW1 9597 0.365 5.087 6.014 -0.7310 1.9284 -1.6642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9600 2675SOL HW2 9598 0.243 4.978 6.013 0.8911 0.0448 -0.6100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9601 2676SOL OW 9599 0.759 4.855 0.083 0.2355 0.1838 -0.2436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9602 2676SOL HW1 9600 0.709 4.942 0.087 2.8445 1.7609 1.2763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9603 2676SOL HW2 9601 0.821 4.857 0.004 0.1970 -0.3703 -0.2873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9604 2677SOL OW 9602 1.744 3.970 6.767 -0.5524 -0.1533 -0.3329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9605 2677SOL HW1 9603 1.813 3.920 6.819 0.0465 0.7958 -0.1932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9606 2677SOL HW2 9604 1.744 3.939 6.672 1.0492 0.8064 -0.6703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9607 2678SOL OW 9605 0.419 3.845 6.073 -0.2963 0.4108 -0.1907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9608 2678SOL HW1 9606 0.411 3.919 6.007 -0.4487 0.1616 -0.4577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9609 2678SOL HW2 9607 0.377 3.872 6.159 1.9902 1.6570 0.6181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9610 2679SOL OW 9608 1.709 5.250 6.590 -0.1025 0.0025 0.2770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9611 2679SOL HW1 9609 1.616 5.272 6.621 -0.4874 -0.1253 -0.7489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9612 2679SOL HW2 9610 1.745 5.174 6.644 0.1377 1.2298 1.9418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9613 2680SOL OW 9611 0.455 4.134 6.779 -0.6695 0.3084 -0.4662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9614 2680SOL HW1 9612 0.402 4.117 6.862 0.2428 -0.2217 0.0164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9615 2680SOL HW2 9613 0.487 4.047 6.741 0.4019 0.6545 -0.3831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9616 2681SOL OW 9614 0.795 5.425 6.233 -0.3198 0.3674 -0.1848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9617 2681SOL HW1 9615 0.701 5.391 6.226 0.6729 -2.4231 -1.4899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9618 2681SOL HW2 9616 0.842 5.412 6.145 1.0754 2.5114 0.1763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9619 2682SOL OW 9617 1.397 3.832 6.632 -0.3525 -0.2129 0.2458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9620 2682SOL HW1 9618 1.327 3.761 6.637 -1.9332 1.2652 0.1055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9621 2682SOL HW2 9619 1.426 3.858 6.724 -0.5010 -0.3322 0.3252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9622 2683SOL OW 9620 0.997 3.829 6.627 -0.2947 0.6725 0.4513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9623 2683SOL HW1 9621 0.907 3.800 6.596 -0.4491 1.3199 0.2716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9624 2683SOL HW2 9622 1.067 3.769 6.588 -0.6600 0.0279 0.7762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9625 2684SOL OW 9623 0.796 5.000 6.078 0.0958 -0.0766 0.0506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9626 2684SOL HW1 9624 0.834 4.912 6.051 0.7797 0.5453 -1.1314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9627 2684SOL HW2 9625 0.838 5.030 6.164 1.6949 0.2085 -0.8030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9628 2685SOL OW 9626 0.442 5.160 6.738 -0.3268 0.0883 0.5490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9629 2685SOL HW1 9627 0.472 5.150 6.833 -1.0411 -2.4081 0.5650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9630 2685SOL HW2 9628 0.478 5.246 6.701 -1.0056 1.7237 3.4092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9631 2686SOL OW 9629 1.203 3.632 5.652 -0.7419 0.1586 -0.2943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9632 2686SOL HW1 9630 1.243 3.574 5.581 0.2305 0.7978 -0.2742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9633 2686SOL HW2 9631 1.103 3.628 5.645 -0.7028 -1.6052 -0.2185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9634 2687SOL OW 9632 1.173 4.161 6.270 -0.1635 0.0338 -0.2141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9635 2687SOL HW1 9633 1.094 4.175 6.210 0.0867 -1.3148 -0.8993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9636 2687SOL HW2 9634 1.142 4.143 6.363 -0.5823 1.2705 -0.0918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9637 2688SOL OW 9635 1.500 3.916 6.377 -0.5368 -0.2356 -0.2100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9638 2688SOL HW1 9636 1.445 3.885 6.455 0.4011 1.1351 1.0478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9639 2688SOL HW2 9637 1.471 4.008 6.351 -0.5899 -0.5387 -1.2763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9640 2689SOL OW 9638 0.075 4.727 6.213 0.5643 0.2802 -0.1672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9641 2689SOL HW1 9639 0.116 4.736 6.122 -1.0270 -2.1595 -1.2532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9642 2689SOL HW2 9640 0.116 4.650 6.261 0.3576 0.6200 0.5774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9643 2690SOL OW 9641 0.889 5.517 5.987 -0.0711 -0.2351 -0.5574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9644 2690SOL HW1 9642 0.888 5.457 5.907 -2.0207 -0.6963 -0.2385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9645 2690SOL HW2 9643 0.828 5.595 5.971 1.1989 0.8377 -0.3407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9646 2691SOL OW 9644 0.135 6.092 7.023 -0.2194 0.0974 -0.5399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9647 2691SOL HW1 9645 0.055 6.122 7.075 0.8998 2.3913 -0.0245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9648 2691SOL HW2 9646 0.153 6.157 6.950 0.3757 -1.1540 -1.5464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9649 2692SOL OW 9647 0.143 5.660 0.983 0.0765 0.2466 0.2217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9650 2692SOL HW1 9648 0.222 5.626 1.034 0.5979 -0.7844 -1.2326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9651 2692SOL HW2 9649 0.073 5.589 0.978 0.3387 0.0586 -1.1085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9652 2693SOL OW 9650 0.000 6.006 0.606 -0.0082 0.5378 0.3959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9653 2693SOL HW1 9651 -0.090 5.979 0.640 -0.4617 0.6602 -0.6718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9654 2693SOL HW2 9652 0.004 5.990 0.507 1.6146 -0.8014 0.6304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9655 2694SOL OW 9653 0.525 6.733 1.338 -0.2345 0.7962 0.2356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9656 2694SOL HW1 9654 0.481 6.718 1.427 -0.9939 0.9976 -0.0916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9657 2694SOL HW2 9655 0.462 6.784 1.278 -0.5353 -1.0329 -1.0855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9658 2695SOL OW 9656 1.608 6.989 0.679 0.2624 0.7200 -0.4160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9659 2695SOL HW1 9657 1.561 6.995 0.767 0.8193 -0.7461 0.0153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9660 2695SOL HW2 9658 1.553 7.033 0.609 -0.2087 1.8896 0.6478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9661 2696SOL OW 9659 1.144 6.303 0.373 -0.1841 0.9229 -0.3522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9662 2696SOL HW1 9660 1.219 6.360 0.339 -0.8971 0.6405 -2.5080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9663 2696SOL HW2 9661 1.066 6.360 0.398 -0.2870 1.0080 -0.8725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9664 2697SOL OW 9662 1.504 6.203 0.266 -0.3191 0.5748 0.6820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9665 2697SOL HW1 9663 1.599 6.223 0.290 -0.4584 0.3226 1.4983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9666 2697SOL HW2 9664 1.502 6.127 0.201 0.1425 2.2473 -1.3615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9667 2698SOL OW 9665 0.661 6.488 1.274 0.1022 0.7438 0.4529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9668 2698SOL HW1 9666 0.616 6.574 1.299 0.3692 1.4130 -1.2288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9669 2698SOL HW2 9667 0.741 6.507 1.217 -1.6907 -0.6518 -2.8036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9670 2699SOL OW 9668 0.832 6.417 1.673 -0.3787 0.5416 -0.4653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9671 2699SOL HW1 9669 0.894 6.400 1.750 -0.3389 2.0370 -0.1265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9672 2699SOL HW2 9670 0.882 6.410 1.587 -0.7372 -2.5996 -0.5104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9673 2700SOL OW 9671 0.544 6.675 0.684 -0.1491 -0.5052 -0.4138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9674 2700SOL HW1 9672 0.527 6.580 0.710 -1.2600 -0.0579 0.5920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9675 2700SOL HW2 9673 0.460 6.728 0.695 0.5251 0.6556 -0.6941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9676 2701SOL OW 9674 0.609 6.586 1.752 -0.3126 0.1877 -0.1145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9677 2701SOL HW1 9675 0.686 6.534 1.714 -1.4699 -1.1934 -0.6562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9678 2701SOL HW2 9676 0.639 6.636 1.833 0.4522 -2.9737 1.7448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9679 2702SOL OW 9677 0.388 6.936 1.203 -0.1087 0.3383 -0.2521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9680 2702SOL HW1 9678 0.303 6.884 1.205 1.6192 -2.7027 0.4859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9681 2702SOL HW2 9679 0.411 6.960 1.109 -1.2140 0.1997 -0.5667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9682 2703SOL OW 9680 1.408 7.045 1.364 -0.2408 -0.1061 -0.0283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9683 2703SOL HW1 9681 1.456 7.124 1.404 -0.1240 0.1457 -0.6579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9684 2703SOL HW2 9682 1.358 6.997 1.436 0.5219 -0.0579 0.5514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9685 2704SOL OW 9683 0.413 5.885 1.267 -0.2049 0.0572 -0.2563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9686 2704SOL HW1 9684 0.429 5.794 1.306 -0.3921 0.1296 -0.0147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9687 2704SOL HW2 9685 0.325 5.886 1.219 0.1625 -0.1228 -0.9497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9688 2705SOL OW 9686 1.584 6.103 0.634 0.0404 0.0026 -0.2389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9689 2705SOL HW1 9687 1.540 6.051 0.560 1.2116 2.3943 -2.8242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9690 2705SOL HW2 9688 1.514 6.144 0.692 -0.9118 -2.5287 0.5238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9691 2706SOL OW 9689 1.030 6.874 1.619 -0.2520 -0.2378 0.4498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9692 2706SOL HW1 9690 0.986 6.869 1.709 0.9216 -1.4495 0.9906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9693 2706SOL HW2 9691 1.021 6.785 1.573 0.1209 0.0376 -0.1618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9694 2707SOL OW 9692 0.206 7.046 0.682 -0.1943 0.4721 -0.2871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9695 2707SOL HW1 9693 0.221 7.133 0.635 1.1204 -0.0207 -0.8167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9696 2707SOL HW2 9694 0.121 7.052 0.735 -0.0008 2.1620 -0.0900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9697 2708SOL OW 9695 0.282 6.375 0.911 -0.0600 -0.3072 -0.6420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9698 2708SOL HW1 9696 0.284 6.278 0.886 1.9013 -0.1207 -1.3468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9699 2708SOL HW2 9697 0.338 6.391 0.992 -2.3237 -0.0871 0.9874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9700 2709SOL OW 9698 0.604 6.518 0.218 -0.9328 0.2065 0.1748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9701 2709SOL HW1 9699 0.635 6.541 0.126 -0.0893 1.0045 0.6283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9702 2709SOL HW2 9700 0.640 6.587 0.282 -0.7722 -0.8160 1.2117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9703 2710SOL OW 9701 1.854 5.605 1.483 -0.5235 0.4065 0.1538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9704 2710SOL HW1 9702 1.886 5.696 1.510 0.5038 -0.0840 0.6233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9705 2710SOL HW2 9703 1.781 5.576 1.546 0.4932 0.1011 1.2248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9706 2711SOL OW 9704 0.109 6.255 0.661 -0.6210 0.1321 0.1691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9707 2711SOL HW1 9705 0.074 6.163 0.643 -1.3221 0.3841 0.2308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9708 2711SOL HW2 9706 0.203 6.248 0.694 -0.9362 -0.6156 0.9561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9709 2712SOL OW 9707 7.040 0.015 7.078 -0.4809 -0.3188 0.1872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9710 2712SOL HW1 9708 7.015 0.111 7.087 0.9426 0.2752 -1.4826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9711 2712SOL HW2 9709 6.984 -0.028 7.007 1.0607 0.2296 -1.4355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9712 2713SOL OW 9710 1.523 6.366 0.536 0.1061 -0.1010 -0.1399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9713 2713SOL HW1 9711 1.524 6.266 0.525 -0.7383 0.0505 -1.8065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9714 2713SOL HW2 9712 1.617 6.398 0.549 0.2114 -1.3387 3.2784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9715 2714SOL OW 9713 1.576 6.697 0.310 -0.6259 -0.2268 0.7412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9716 2714SOL HW1 9714 1.622 6.612 0.282 -1.4859 -0.8608 1.2031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9717 2714SOL HW2 9715 1.613 6.727 0.398 0.7561 0.7406 -0.1270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9718 2715SOL OW 9716 0.177 6.084 1.466 -0.4471 -0.2770 0.1201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9719 2715SOL HW1 9717 0.273 6.107 1.450 -0.3917 -0.1162 0.6561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9720 2715SOL HW2 9718 0.147 6.127 1.551 -1.0311 -0.2226 -0.1099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9721 2716SOL OW 9719 0.348 6.838 0.736 0.0442 -0.0442 0.0008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9722 2716SOL HW1 9720 0.278 6.770 0.756 -1.1029 1.4304 1.2276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9723 2716SOL HW2 9721 0.305 6.920 0.699 1.0870 0.9602 0.9267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9724 2717SOL OW 9722 1.332 6.579 1.542 0.5693 0.1758 -0.5087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9725 2717SOL HW1 9723 1.356 6.532 1.458 1.5743 1.1938 -0.8293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9726 2717SOL HW2 9724 1.415 6.592 1.597 0.1674 0.7724 -0.0348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9727 2718SOL OW 9725 0.756 5.525 0.524 -0.3622 -0.0797 0.3029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9728 2718SOL HW1 9726 0.827 5.576 0.475 -1.2055 -0.8232 -1.7955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9729 2718SOL HW2 9727 0.683 5.588 0.552 0.2895 0.4056 0.9540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9730 2719SOL OW 9728 0.171 6.526 1.231 -0.6100 0.0564 0.1565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9731 2719SOL HW1 9729 0.261 6.485 1.225 -1.0650 -1.2398 1.5154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9732 2719SOL HW2 9730 0.104 6.466 1.186 -1.1153 -0.1799 1.1900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9733 2720SOL OW 9731 1.297 6.495 0.054 0.4935 0.0625 -0.3851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9734 2720SOL HW1 9732 1.316 6.485 0.152 0.3472 -0.3887 -0.4005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9735 2720SOL HW2 9733 1.207 6.536 0.042 0.0633 -0.8542 -0.3352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9736 2721SOL OW 9734 0.151 5.836 1.607 0.3368 0.7555 -0.2578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9737 2721SOL HW1 9735 0.138 5.922 1.559 0.4724 0.9871 0.1153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9738 2721SOL HW2 9736 0.064 5.805 1.644 -0.1165 -0.3138 -2.1159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9739 2722SOL OW 9737 1.284 6.940 0.925 1.3411 0.4591 -0.1184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9740 2722SOL HW1 9738 1.200 6.959 0.875 1.0738 -0.7895 -0.1797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9741 2722SOL HW2 9739 1.305 6.842 0.919 0.7182 0.0173 3.0086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9742 2723SOL OW 9740 0.569 6.278 0.325 0.2059 -0.3756 0.2521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9743 2723SOL HW1 9741 0.595 6.366 0.285 1.0872 -0.8951 -0.3677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9744 2723SOL HW2 9742 0.472 6.278 0.347 0.2689 0.8670 0.5755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9745 2724SOL OW 9743 1.173 6.056 0.968 0.2440 -0.1169 -0.3196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9746 2724SOL HW1 9744 1.114 6.116 1.022 2.1544 -0.0557 1.8778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9747 2724SOL HW2 9745 1.193 5.973 1.020 1.1292 -0.6685 -1.4882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9748 2725SOL OW 9746 1.678 7.101 0.259 0.0859 0.0304 0.2291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9749 2725SOL HW1 9747 1.775 7.121 0.268 0.4699 -1.9159 0.9233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9750 2725SOL HW2 9748 1.665 7.017 0.206 -1.1654 -0.1777 0.8115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9751 2726SOL OW 9749 0.854 5.867 1.348 0.0822 0.4862 0.6619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9752 2726SOL HW1 9750 0.820 5.879 1.441 -2.1601 -1.4324 0.1881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9753 2726SOL HW2 9751 0.784 5.898 1.283 0.9359 0.2503 -0.3907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9754 2727SOL OW 9752 1.417 5.788 1.624 -0.2695 -0.4099 0.2530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9755 2727SOL HW1 9753 1.437 5.767 1.720 0.0589 -1.1471 0.0292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9756 2727SOL HW2 9754 1.409 5.703 1.572 0.4713 -0.0035 -0.5542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9757 2728SOL OW 9755 0.950 6.387 1.456 0.1064 -0.1098 -0.5276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9758 2728SOL HW1 9756 0.995 6.300 1.439 0.1597 -0.3217 0.6050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9759 2728SOL HW2 9757 0.859 6.387 1.415 0.5205 -0.2683 -1.4761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9760 2729SOL OW 9758 1.065 5.799 1.173 -0.4152 -0.5999 -0.1344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9761 2729SOL HW1 9759 0.990 5.830 1.231 -0.6518 -0.8323 -0.3144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9762 2729SOL HW2 9760 1.028 5.754 1.091 -0.0827 -0.9746 -0.0846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9763 2730SOL OW 9761 0.919 6.143 0.139 -0.1534 1.0463 0.5730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9764 2730SOL HW1 9762 0.984 6.075 0.170 -2.0052 -1.9304 -1.4994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9765 2730SOL HW2 9763 0.952 6.185 0.054 0.0680 1.2203 0.7448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9766 2731SOL OW 9764 7.191 6.398 0.825 0.5070 -0.5333 -0.5900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9767 2731SOL HW1 9765 7.151 6.489 0.814 2.6886 0.5262 -0.2284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9768 2731SOL HW2 9766 7.260 6.383 0.754 0.9542 -1.4700 0.0205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9769 2732SOL OW 9767 7.167 7.191 1.596 0.9852 0.1217 0.0268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9770 2732SOL HW1 9768 7.196 7.166 1.689 0.0378 -0.3197 0.2119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9771 2732SOL HW2 9769 7.073 7.224 1.599 0.6898 -0.6141 -0.8898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9772 2733SOL OW 9770 1.012 5.713 0.108 -0.3374 -0.1233 0.4316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9773 2733SOL HW1 9771 1.025 5.787 0.041 -1.7629 -0.5601 -0.3626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9774 2733SOL HW2 9772 0.998 5.627 0.060 -1.7359 -0.3903 1.2727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9775 2734SOL OW 9773 1.704 6.019 1.754 0.5365 -0.0376 -0.6934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9776 2734SOL HW1 9774 1.725 6.096 1.694 1.3371 -0.2184 -0.6514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9777 2734SOL HW2 9775 1.611 5.986 1.735 -0.5928 2.1456 0.5987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9778 2735SOL OW 9776 1.393 6.724 0.538 -0.2301 -0.3314 -0.3202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9779 2735SOL HW1 9777 1.493 6.728 0.532 -0.1669 -1.0150 0.2665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9780 2735SOL HW2 9778 1.355 6.731 0.446 0.2981 1.1802 -0.4651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9781 2736SOL OW 9779 0.518 5.560 1.044 -0.1492 0.2558 -0.6492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9782 2736SOL HW1 9780 0.439 5.532 1.098 0.5337 -2.2773 -0.8218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9783 2736SOL HW2 9781 0.492 5.636 0.984 -2.4365 -0.4752 -0.6820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9784 2737SOL OW 9782 1.041 6.913 0.765 -0.4051 0.1990 -0.5307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9785 2737SOL HW1 9783 1.083 6.977 0.701 -0.3820 0.7039 -0.0263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9786 2737SOL HW2 9784 0.951 6.949 0.793 -0.8046 -0.4488 -0.9500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9787 2738SOL OW 9785 0.409 7.219 1.010 0.5240 -0.3910 0.1382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9788 2738SOL HW1 9786 0.455 7.181 0.930 -0.0328 -2.0437 0.5661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9789 2738SOL HW2 9787 0.407 7.319 1.003 0.3400 -0.5053 -1.9618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9790 2739SOL OW 9788 1.855 6.661 0.923 -0.3788 -0.1094 0.0769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9791 2739SOL HW1 9789 1.882 6.669 0.827 -0.1644 -0.6076 0.0947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9792 2739SOL HW2 9790 1.768 6.613 0.930 0.4672 -1.6721 0.2287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9793 2740SOL OW 9791 1.301 6.898 1.571 -0.3894 0.3732 0.7553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9794 2740SOL HW1 9792 1.206 6.877 1.593 -0.3741 -0.8156 -0.2319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9795 2740SOL HW2 9793 1.359 6.822 1.601 -0.0470 -0.0135 -0.8300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9796 2741SOL OW 9794 0.370 6.353 0.035 0.2737 -0.1448 -0.1213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9797 2741SOL HW1 9795 0.393 6.377 -0.060 0.5294 0.9190 0.2015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9798 2741SOL HW2 9796 0.417 6.415 0.097 0.5310 -1.1689 0.7351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9799 2742SOL OW 9797 1.362 6.427 0.795 -0.2554 0.4723 -0.1913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9800 2742SOL HW1 9798 1.341 6.332 0.818 -1.1532 -0.1648 -3.1220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9801 2742SOL HW2 9799 1.446 6.431 0.741 -1.0492 1.0988 -1.4262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9802 2743SOL OW 9800 0.454 6.772 1.628 0.3324 0.0403 -0.0162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9803 2743SOL HW1 9801 0.366 6.728 1.645 0.1596 -0.3848 -1.8130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9804 2743SOL HW2 9802 0.526 6.721 1.674 -0.2288 -0.2514 0.5539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9805 2744SOL OW 9803 0.033 5.718 1.296 -0.1867 -0.1745 -0.3944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9806 2744SOL HW1 9804 0.091 5.786 1.252 -3.2868 1.9620 -1.5032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9807 2744SOL HW2 9805 -0.013 5.760 1.375 -0.5243 -1.6758 0.2397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9808 2745SOL OW 9806 1.432 6.775 7.132 0.1059 0.2636 -0.1955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9809 2745SOL HW1 9807 1.511 6.733 7.178 -0.3857 -1.3397 -0.7703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9810 2745SOL HW2 9808 1.401 6.853 7.186 0.6452 -0.4924 1.2736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9811 2746SOL OW 9809 1.246 5.671 0.327 -0.6436 0.0875 -0.3153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9812 2746SOL HW1 9810 1.181 5.708 0.261 0.4906 1.1346 -0.8923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9813 2746SOL HW2 9811 1.338 5.673 0.288 -0.2717 -1.6617 0.3522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9814 2747SOL OW 9812 0.297 6.277 0.330 -0.5703 0.2970 0.3149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9815 2747SOL HW1 9813 0.279 6.181 0.308 0.2137 0.5998 -1.9334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9816 2747SOL HW2 9814 0.210 6.324 0.346 -1.1495 -0.3070 -0.8799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9817 2748SOL OW 9815 1.640 5.550 1.655 -0.3615 0.3660 0.7665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9818 2748SOL HW1 9816 1.611 5.576 1.747 -1.2452 0.0152 0.5969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9819 2748SOL HW2 9817 1.560 5.543 1.596 0.3178 2.3155 -0.4957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9820 2749SOL OW 9818 0.405 5.373 0.165 -0.4560 -0.6697 -0.7932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9821 2749SOL HW1 9819 0.364 5.313 0.234 3.6507 -3.5877 -0.5179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9822 2749SOL HW2 9820 0.387 5.337 0.074 -0.9546 -0.1869 -0.8948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9823 2750SOL OW 9821 0.623 5.679 1.732 -0.1195 0.0129 -0.1815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9824 2750SOL HW1 9822 0.639 5.634 1.820 2.2533 0.8281 -0.1339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9825 2750SOL HW2 9823 0.530 5.714 1.730 0.2397 1.4904 2.7552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9826 2751SOL OW 9824 0.756 6.925 1.074 0.0986 -0.3508 -0.2502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9827 2751SOL HW1 9825 0.664 6.914 1.036 -0.3037 0.7530 0.3391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9828 2751SOL HW2 9826 0.758 6.890 1.168 0.4029 -0.7555 -0.4035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9829 2752SOL OW 9827 1.305 5.986 1.470 -0.5138 -0.4564 0.1245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9830 2752SOL HW1 9828 1.361 5.913 1.508 0.5733 -0.1153 -0.7368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9831 2752SOL HW2 9829 1.357 6.072 1.474 -0.9893 -0.1252 -0.6719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9832 2753SOL OW 9830 0.589 6.656 1.033 0.5781 0.5315 -0.5282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9833 2753SOL HW1 9831 0.681 6.650 1.073 -0.1591 -1.4479 1.0597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9834 2753SOL HW2 9832 0.571 6.750 1.004 2.0206 1.6537 1.8689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9835 2754SOL OW 9833 0.751 5.886 0.722 -0.9959 0.2646 -0.3530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9836 2754SOL HW1 9834 0.727 5.845 0.633 -1.1768 -0.3164 -0.0414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9837 2754SOL HW2 9835 0.850 5.888 0.732 -0.9964 -1.1192 0.0880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9838 2755SOL OW 9836 0.490 5.663 0.485 -0.1204 0.1226 -0.2905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9839 2755SOL HW1 9837 0.415 5.663 0.551 0.1510 -0.7221 0.0430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9840 2755SOL HW2 9838 0.454 5.663 0.392 -0.5092 1.3460 -0.1510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9841 2756SOL OW 9839 1.123 6.756 0.035 -0.1490 0.7272 0.0370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9842 2756SOL HW1 9840 1.088 6.675 0.083 1.4901 0.8000 1.4405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9843 2756SOL HW2 9841 1.110 6.837 0.092 -3.0628 1.8252 -1.9147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9844 2757SOL OW 9842 0.042 5.934 0.342 0.4362 -0.6025 0.1181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9845 2757SOL HW1 9843 0.142 5.937 0.351 0.2924 -0.6772 2.2539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9846 2757SOL HW2 9844 0.010 5.841 0.354 0.0368 -0.4138 0.5575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9847 2758SOL OW 9845 0.925 5.710 0.367 0.4971 0.5364 -0.3720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9848 2758SOL HW1 9846 0.927 5.709 0.267 1.4763 0.4373 -0.3611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9849 2758SOL HW2 9847 0.871 5.788 0.399 0.5135 0.7980 -0.9750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9850 2759SOL OW 9848 1.056 6.113 1.408 -0.4700 -0.0244 -0.1206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9851 2759SOL HW1 9849 0.972 6.058 1.402 -0.9574 0.4793 1.4386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9852 2759SOL HW2 9850 1.134 6.052 1.419 -0.6657 -0.4842 -1.1406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9853 2760SOL OW 9851 0.840 7.069 0.848 -0.5111 0.4964 -0.2235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9854 2760SOL HW1 9852 0.803 7.162 0.849 0.4706 0.8980 -0.0641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9855 2760SOL HW2 9853 0.816 7.022 0.933 2.3733 2.0204 1.6176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9856 2761SOL OW 9854 0.177 6.618 0.812 -0.1278 0.0629 -0.0184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9857 2761SOL HW1 9855 0.208 6.528 0.845 0.0127 0.1692 0.1393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9858 2761SOL HW2 9856 0.077 6.619 0.809 -0.2753 0.8177 2.6027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9859 2762SOL OW 9857 1.054 5.902 7.191 0.3564 0.3721 0.3031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9860 2762SOL HW1 9858 0.968 5.888 7.142 1.6600 -0.7405 -1.8000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9861 2762SOL HW2 9859 1.093 5.990 7.165 -1.1502 1.9853 3.0135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9862 2763SOL OW 9860 0.072 6.171 1.109 -0.0137 0.0761 -0.2875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9863 2763SOL HW1 9861 0.172 6.172 1.116 0.0417 0.3886 -0.9666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9864 2763SOL HW2 9862 0.039 6.265 1.100 -0.5789 0.1920 2.3242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9865 2764SOL OW 9863 0.463 5.639 1.387 -0.4141 -0.2805 0.6814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9866 2764SOL HW1 9864 0.545 5.582 1.389 0.0102 0.2440 -0.9600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9867 2764SOL HW2 9865 0.382 5.580 1.385 0.0403 -0.9261 -2.3063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9868 2765SOL OW 9866 0.713 5.821 0.475 -0.1149 -0.5445 -0.1024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9869 2765SOL HW1 9867 0.706 5.894 0.407 -0.1290 -1.1711 -0.7900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9870 2765SOL HW2 9868 0.642 5.753 0.457 1.5580 -2.0720 -1.1173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9871 2766SOL OW 9869 1.065 5.511 0.552 0.5976 -0.0936 -0.0967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9872 2766SOL HW1 9870 1.042 5.577 0.481 2.0660 0.9124 0.3076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9873 2766SOL HW2 9871 0.985 5.495 0.609 -0.7990 -1.3946 -2.2856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9874 2767SOL OW 9872 1.355 6.700 0.835 0.2398 -0.0645 0.1383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9875 2767SOL HW1 9873 1.369 6.601 0.833 -1.4133 -0.3187 -0.8844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9876 2767SOL HW2 9874 1.359 6.736 0.742 1.1533 0.8921 0.5346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9877 2768SOL OW 9875 1.389 6.131 0.823 -0.3705 0.0495 0.1148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9878 2768SOL HW1 9876 1.301 6.096 0.855 -0.2588 0.2024 0.6010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9879 2768SOL HW2 9877 1.451 6.140 0.901 0.1503 -0.2762 -0.2525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9880 2769SOL OW 9878 1.797 6.377 0.467 -1.0438 0.3168 0.1177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9881 2769SOL HW1 9879 1.820 6.467 0.503 -1.1930 0.2701 0.3326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9882 2769SOL HW2 9880 1.874 6.314 0.483 -1.3159 0.1535 0.8605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9883 2770SOL OW 9881 0.376 6.920 0.305 -0.0415 0.0905 0.8326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9884 2770SOL HW1 9882 0.390 7.001 0.362 2.1596 -0.5807 1.3345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9885 2770SOL HW2 9883 0.335 6.847 0.359 1.0649 -0.1990 1.2981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9886 2771SOL OW 9884 1.674 6.736 0.578 0.1508 -0.3487 0.3807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9887 2771SOL HW1 9885 1.761 6.695 0.606 -0.2605 -0.8727 0.9221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9888 2771SOL HW2 9886 1.666 6.826 0.620 1.2853 0.5434 -1.2187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9889 2772SOL OW 9887 1.329 5.967 0.102 -0.0073 -0.5978 -0.3540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9890 2772SOL HW1 9888 1.264 5.973 0.178 1.1836 -0.1528 0.6577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9891 2772SOL HW2 9889 1.307 5.886 0.047 -0.0994 -1.6964 1.2245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9892 2773SOL OW 9890 0.409 5.670 0.220 0.4972 -0.2784 -0.5124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9893 2773SOL HW1 9891 0.413 5.571 0.217 0.9386 -0.2561 -0.7612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9894 2773SOL HW2 9892 0.415 5.707 0.127 -1.4793 -0.0745 -0.5938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9895 2774SOL OW 9893 1.670 6.700 1.436 0.9598 -0.3171 -0.5412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9896 2774SOL HW1 9894 1.741 6.749 1.386 -0.1077 1.4505 -0.4353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9897 2774SOL HW2 9895 1.620 6.765 1.494 -1.3752 -1.2375 -1.3653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9898 2775SOL OW 9896 1.027 6.749 1.249 -0.3259 0.4344 -0.2268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9899 2775SOL HW1 9897 0.957 6.820 1.252 -1.2974 -0.5240 1.0665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9900 2775SOL HW2 9898 1.048 6.719 1.342 0.6294 -0.4165 -0.6998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9901 2776SOL OW 9899 1.332 7.143 1.649 -0.2132 0.4450 -0.5557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9902 2776SOL HW1 9900 1.255 7.191 1.608 -1.5559 -0.7246 0.5010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9903 2776SOL HW2 9901 1.324 7.045 1.632 -0.1103 0.0719 1.2659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9904 2777SOL OW 9902 0.848 6.590 1.097 -0.6127 0.2787 -0.0895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9905 2777SOL HW1 9903 0.907 6.663 1.131 -1.0989 -0.3895 2.4445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9906 2777SOL HW2 9904 0.904 6.514 1.064 -0.0645 0.5724 0.1499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9907 2778SOL OW 9905 1.578 6.674 0.995 -0.4479 0.4646 -0.1240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9908 2778SOL HW1 9906 1.570 6.727 1.079 -2.0385 0.9187 -0.5255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9909 2778SOL HW2 9907 1.504 6.700 0.932 -0.0868 -0.8283 -1.1249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9910 2779SOL OW 9908 1.002 5.428 1.249 0.3182 -0.5825 0.1760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9911 2779SOL HW1 9909 1.018 5.435 1.151 0.4803 -0.9793 0.1712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9912 2779SOL HW2 9910 1.080 5.468 1.298 0.6205 -1.1078 0.1421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9913 2780SOL OW 9911 1.083 6.625 1.486 -0.0996 0.2106 -0.0407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9914 2780SOL HW1 9912 1.045 6.538 1.454 0.7736 0.1781 -1.0485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9915 2780SOL HW2 9913 1.178 6.611 1.514 -0.1268 0.7271 0.3119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9916 2781SOL OW 9914 0.675 6.698 0.437 -0.0882 -0.1724 0.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9917 2781SOL HW1 9915 0.648 6.676 0.531 0.6390 1.3724 0.6727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9918 2781SOL HW2 9916 0.771 6.726 0.437 -0.0142 -0.4018 -1.2043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9919 2782SOL OW 9917 0.414 6.414 1.155 -0.2289 0.3707 0.7481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9920 2782SOL HW1 9918 0.507 6.433 1.189 0.3973 2.3177 -1.7761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9921 2782SOL HW2 9919 0.388 6.321 1.181 2.1794 -0.0271 2.0452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9922 2783SOL OW 9920 1.336 5.839 1.236 0.1241 0.1293 0.0671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9923 2783SOL HW1 9921 1.338 5.874 1.329 0.9028 2.6373 -0.8254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9924 2783SOL HW2 9922 1.241 5.820 1.210 -0.1354 -0.2491 1.2215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9925 2784SOL OW 9923 0.014 7.055 1.389 -0.2169 -0.1584 0.4083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9926 2784SOL HW1 9924 -0.023 7.128 1.447 1.0101 0.2247 0.7225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9927 2784SOL HW2 9925 0.002 7.081 1.293 -1.2796 -0.3215 0.4760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9928 2785SOL OW 9926 7.188 6.620 0.505 0.2726 -0.2119 0.4253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9929 2785SOL HW1 9927 7.264 6.680 0.480 0.3169 -0.1589 0.6973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9930 2785SOL HW2 9928 7.209 6.526 0.478 1.1393 -0.4760 1.8882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9931 2786SOL OW 9929 0.513 6.041 0.582 0.7667 -0.1708 -0.3673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9932 2786SOL HW1 9930 0.528 6.139 0.594 1.6628 -0.0811 -1.9365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9933 2786SOL HW2 9931 0.601 5.994 0.582 0.3121 -1.1113 1.1248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9934 2787SOL OW 9932 1.256 6.942 0.428 -0.1280 -0.3646 0.2267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9935 2787SOL HW1 9933 1.344 6.911 0.463 0.5706 -0.5637 -1.6389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9936 2787SOL HW2 9934 1.206 6.989 0.501 0.6305 -2.0317 1.8928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9937 2788SOL OW 9935 1.208 7.079 1.143 -0.0119 -0.4677 -0.0723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9938 2788SOL HW1 9936 1.277 7.064 1.214 0.5554 2.8028 0.2353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9939 2788SOL HW2 9937 1.216 7.008 1.073 3.1019 -0.7262 0.3910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9940 2789SOL OW 9938 1.404 6.001 0.445 -0.0458 0.2866 0.4815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9941 2789SOL HW1 9939 1.391 6.065 0.370 -0.8595 -0.1368 0.2491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9942 2789SOL HW2 9940 1.317 5.956 0.467 0.4910 -0.6983 0.6771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9943 2790SOL OW 9941 0.381 7.118 1.400 -0.0266 0.0954 0.1209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9944 2790SOL HW1 9942 0.320 7.071 1.464 0.2329 0.6486 0.7857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9945 2790SOL HW2 9943 0.408 7.055 1.327 -1.6803 -0.0696 -0.4013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9946 2791SOL OW 9944 0.443 6.090 1.445 0.1458 0.0703 0.2711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9947 2791SOL HW1 9945 0.442 5.998 1.406 0.2666 -0.5403 1.6618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9948 2791SOL HW2 9946 0.533 6.132 1.429 -0.2381 0.3726 -1.2615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9949 2792SOL OW 9947 1.696 6.231 1.567 -0.0489 0.2768 -0.0014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9950 2792SOL HW1 9948 1.782 6.252 1.520 -0.1415 -0.3676 -0.4764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9951 2792SOL HW2 9949 1.693 6.281 1.654 0.8395 0.2463 0.0650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9952 2793SOL OW 9950 0.976 5.581 1.871 0.5609 0.0069 -0.0103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9953 2793SOL HW1 9951 1.031 5.636 1.809 -0.0660 -0.0174 -0.5948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9954 2793SOL HW2 9952 1.036 5.531 1.934 1.1469 1.2471 0.4522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9955 2794SOL OW 9953 0.363 5.673 1.662 0.5112 -0.3210 -0.2099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9956 2794SOL HW1 9954 0.403 5.643 1.575 0.8031 -0.0013 -0.1868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9957 2794SOL HW2 9955 0.285 5.733 1.644 -0.3344 -1.3895 -0.2635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9958 2795SOL OW 9956 0.840 6.327 0.884 -0.5649 0.3981 -0.4766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9959 2795SOL HW1 9957 0.882 6.255 0.939 -1.9686 -0.3525 -0.3368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9960 2795SOL HW2 9958 0.867 6.316 0.788 -1.1806 -0.6606 -0.5474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9961 2796SOL OW 9959 1.105 6.516 0.903 0.4834 0.2316 0.4486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9962 2796SOL HW1 9960 1.035 6.472 0.846 -0.1907 2.5105 -0.6092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9963 2796SOL HW2 9961 1.195 6.491 0.868 0.1034 0.3732 -0.7044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9964 2797SOL OW 9962 1.147 6.033 0.289 -0.3507 0.6001 -0.1563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9965 2797SOL HW1 9963 1.141 5.989 0.379 -0.3595 -0.2226 -0.5512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9966 2797SOL HW2 9964 1.134 6.132 0.300 0.4063 0.6086 0.8339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9967 2798SOL OW 9965 0.295 5.492 1.151 0.2574 0.3552 -0.4681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9968 2798SOL HW1 9966 0.266 5.507 1.246 -0.3998 0.4074 -0.6672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9969 2798SOL HW2 9967 0.265 5.401 1.122 -1.2051 1.0338 -1.2078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9970 2799SOL OW 9968 7.142 6.724 1.388 0.0670 0.3030 0.7673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9971 2799SOL HW1 9969 7.210 6.794 1.368 1.2896 -0.3463 2.4255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9972 2799SOL HW2 9970 7.076 6.759 1.454 0.1331 0.1920 0.8926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9973 2800SOL OW 9971 0.622 6.047 0.884 0.8341 -0.5036 0.4288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9974 2800SOL HW1 9972 0.670 5.992 0.816 2.1420 0.7950 0.2539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9975 2800SOL HW2 9973 0.627 6.144 0.858 -2.2945 -0.3105 0.1726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9976 2801SOL OW 9974 1.726 6.544 1.802 0.0776 0.3990 0.3108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9977 2801SOL HW1 9975 1.730 6.445 1.812 0.2410 0.2134 -1.2508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9978 2801SOL HW2 9976 1.745 6.588 1.890 1.3720 -0.9278 0.7370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9979 2802SOL OW 9977 0.295 5.630 0.676 -0.2998 -0.1612 -0.4601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9980 2802SOL HW1 9978 0.303 5.714 0.730 3.3703 0.3052 -1.4436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9981 2802SOL HW2 9979 0.302 5.550 0.736 2.1784 0.3501 0.0309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9982 2803SOL OW 9980 1.526 5.799 0.324 0.7901 0.3733 -0.6240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9983 2803SOL HW1 9981 1.615 5.779 0.366 0.8694 1.5784 -0.1670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9984 2803SOL HW2 9982 1.477 5.866 0.381 0.1668 0.7356 -1.5664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9985 2804SOL OW 9983 0.989 6.054 0.578 0.5667 0.1406 -0.0065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9986 2804SOL HW1 9984 0.904 6.020 0.539 -0.6602 -0.6660 3.0413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9987 2804SOL HW2 9985 1.048 5.976 0.601 0.5924 0.4410 1.0110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9988 2805SOL OW 9986 1.074 7.215 1.565 -0.6181 -0.0750 -0.0403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9989 2805SOL HW1 9987 0.998 7.248 1.509 -0.2071 0.4567 -0.2935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9990 2805SOL HW2 9988 1.051 7.125 1.602 -0.7086 -0.6915 -1.4934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9991 2806SOL OW 9989 1.666 6.924 1.608 0.0678 0.1928 0.6148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9992 2806SOL HW1 9990 1.639 7.012 1.570 -0.1876 0.3310 1.1124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9993 2806SOL HW2 9991 1.754 6.934 1.656 1.5995 -0.4583 -1.8419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9994 2807SOL OW 9992 0.313 6.258 1.652 0.0706 0.3103 -0.1878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9995 2807SOL HW1 9993 0.376 6.302 1.715 -0.2037 -0.6338 0.7799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9996 2807SOL HW2 9994 0.362 6.191 1.596 0.1695 0.5795 -0.4263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9997 2808SOL OW 9995 1.363 5.692 7.230 -0.8054 0.0489 -0.8594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9998 2808SOL HW1 9996 1.338 5.604 7.271 -1.5865 0.6799 0.0658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
9999 2808SOL HW2 9997 1.451 5.723 7.266 -0.1870 -0.6694 -1.7294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10000 2809SOL OW 9998 1.156 6.410 7.096 0.8472 -0.1770 0.0398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10001 2809SOL HW1 9999 1.238 6.437 7.147 1.0697 -1.0984 0.1956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10002 2809SOL HW210000 1.165 6.439 7.001 1.8974 -1.2953 -0.2243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10003 2810SOL OW10001 0.855 6.679 0.721 0.5354 -0.1728 0.2642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10004 2810SOL HW110002 0.762 6.711 0.741 0.2956 -0.2167 -0.7468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10005 2810SOL HW210003 0.920 6.735 0.773 0.0397 1.0321 -0.3593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10006 2811SOL OW10004 0.328 6.117 0.841 0.2811 0.9325 -0.0850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10007 2811SOL HW110005 0.417 6.100 0.798 0.1630 1.6069 -0.6057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10008 2811SOL HW210006 0.265 6.043 0.817 1.2916 -0.7229 2.0499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10009 2812SOL OW10007 0.453 5.831 0.898 0.1074 -0.1372 0.0057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10010 2812SOL HW110008 0.361 5.860 0.874 0.5826 1.6104 0.2139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10011 2812SOL HW210009 0.516 5.908 0.891 1.4392 -1.1345 0.5368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10012 2813SOL OW10010 1.145 5.723 1.698 0.1125 -0.2523 0.2877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10013 2813SOL HW110011 1.090 5.805 1.715 0.7909 0.1401 0.6554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10014 2813SOL HW210012 1.240 5.750 1.682 0.8190 -1.0987 2.6789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10015 2814SOL OW10013 1.123 5.580 1.462 -0.0519 -0.1738 -0.1759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10016 2814SOL HW110014 1.121 5.582 1.562 0.3536 -1.0316 -0.1351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10017 2814SOL HW210015 1.089 5.666 1.426 -0.7138 -0.0550 0.6963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10018 2815SOL OW10016 0.015 6.904 0.229 0.3694 0.2640 -0.0617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10019 2815SOL HW110017 -0.037 6.975 0.275 0.1292 -0.4085 0.7173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10020 2815SOL HW210018 0.084 6.946 0.170 0.3176 1.1435 0.4871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10021 2816SOL OW10019 0.147 7.159 0.966 0.1484 0.4687 -0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10022 2816SOL HW110020 0.130 7.175 0.869 0.4077 -0.7953 -0.4132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10023 2816SOL HW210021 0.244 7.171 0.986 0.6424 -2.1413 -0.6663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10024 2817SOL OW10022 0.533 6.904 0.908 -0.1072 0.0847 -0.3252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10025 2817SOL HW110023 0.579 6.981 0.865 1.3416 -0.4725 0.1768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10026 2817SOL HW210024 0.458 6.873 0.849 0.6456 0.5107 -1.5450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10027 2818SOL OW10025 0.953 6.321 0.646 0.7887 0.3776 0.1952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10028 2818SOL HW110026 1.029 6.382 0.626 1.2416 -0.6870 -1.6106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10029 2818SOL HW210027 0.975 6.229 0.613 -0.8668 -0.2046 0.6084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10030 2819SOL OW10028 7.090 6.048 1.144 0.0452 -0.1781 0.0132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10031 2819SOL HW110029 7.092 5.948 1.139 1.4586 -0.1603 -0.1376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10032 2819SOL HW210030 7.177 6.085 1.113 -1.8930 1.3428 -4.4829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10033 2820SOL OW10031 7.170 5.980 1.459 -0.3881 0.0410 0.6626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10034 2820SOL HW110032 7.097 6.004 1.394 1.0897 2.8541 -0.1418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10035 2820SOL HW210033 7.247 6.044 1.447 0.9836 -0.9167 3.5255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10036 2821SOL OW10034 1.451 6.231 1.465 0.4917 -0.0616 -0.3587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10037 2821SOL HW110035 1.547 6.230 1.493 0.3736 1.0917 0.1723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10038 2821SOL HW210036 1.432 6.315 1.414 -0.9470 1.4131 2.3733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10039 2822SOL OW10037 0.723 6.033 0.326 -0.4231 0.2441 0.1435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10040 2822SOL HW110038 0.793 6.069 0.265 -1.5887 -0.6630 -1.8307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10041 2822SOL HW210039 0.665 6.108 0.359 0.4511 0.7904 0.4654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10042 2823SOL OW10040 1.552 6.147 1.034 0.4208 -0.3660 -0.2390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10043 2823SOL HW110041 1.535 6.051 1.053 1.8659 -0.6775 -0.4440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10044 2823SOL HW210042 1.645 6.171 1.061 0.0950 0.9703 -0.2213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10045 2824SOL OW10043 0.338 7.050 1.725 0.2042 0.3471 -0.1919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10046 2824SOL HW110044 0.303 6.992 1.798 0.5670 0.5137 0.1198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10047 2824SOL HW210045 0.303 7.018 1.637 1.8787 -1.5328 -0.2533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10048 2825SOL OW10046 0.661 5.950 1.165 0.4947 -0.2215 -0.7472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10049 2825SOL HW110047 0.578 5.899 1.187 0.6038 0.5067 1.6355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10050 2825SOL HW210048 0.656 5.982 1.070 -0.7217 -2.3883 -1.4957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10051 2826SOL OW10049 0.361 6.060 7.191 -0.1529 1.3275 -0.0505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10052 2826SOL HW110050 0.383 6.131 7.258 -1.6396 1.6477 0.1484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10053 2826SOL HW210051 0.276 6.084 7.144 0.4528 0.7218 -1.5178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10054 2827SOL OW10052 0.209 6.651 1.465 0.2348 0.2750 -0.1361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10055 2827SOL HW110053 0.178 6.602 1.546 0.6412 0.7753 0.3357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10056 2827SOL HW210054 0.193 6.596 1.383 0.7060 -0.6528 0.3836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10057 2828SOL OW10055 1.160 6.505 1.166 0.9501 -0.3679 -0.6726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10058 2828SOL HW110056 1.156 6.514 1.066 1.7052 1.2084 -0.6029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10059 2828SOL HW210057 1.107 6.579 1.208 -0.1169 -1.5468 0.1184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10060 2829SOL OW10058 1.356 6.426 0.308 0.0456 -0.4867 0.5255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10061 2829SOL HW110059 1.387 6.471 0.392 1.6248 -1.1386 0.3131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10062 2829SOL HW210060 1.403 6.339 0.297 -1.1050 -1.0237 -0.3887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10063 2830SOL OW10061 1.566 0.091 1.305 -0.5146 0.0539 0.0770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10064 2830SOL HW110062 1.610 0.084 1.215 -0.5736 0.0472 0.0480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10065 2830SOL HW210063 1.467 0.086 1.293 -0.4939 -0.7609 0.2205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10066 2831SOL OW10064 1.307 0.067 1.238 -0.4815 0.0761 -0.9735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10067 2831SOL HW110065 1.242 0.135 1.272 -0.1348 -0.9079 1.9043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10068 2831SOL HW210066 1.264 -0.023 1.239 0.3416 -0.3163 -0.7798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10069 2832SOL OW10067 0.162 6.782 1.098 0.1095 0.3469 -0.0483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10070 2832SOL HW110068 0.210 6.763 1.012 -0.3559 -0.2319 -0.1869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10071 2832SOL HW210069 0.151 6.697 1.150 -1.0049 0.4066 -0.1525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10072 2833SOL OW10070 1.026 5.458 7.258 -0.4629 0.5788 0.0997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10073 2833SOL HW110071 1.110 5.430 7.305 -0.0345 -0.8570 -1.4158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10074 2833SOL HW210072 0.952 5.394 7.281 -0.5595 0.5614 -0.2570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10075 2834SOL OW10073 1.745 5.744 0.452 -0.7171 0.7637 -0.2156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10076 2834SOL HW110074 1.843 5.746 0.433 -0.1339 0.8004 2.4477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10077 2834SOL HW210075 1.721 5.658 0.498 -1.4396 1.7652 1.3517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10078 2835SOL OW10076 1.501 7.129 0.494 0.3770 0.0540 1.0425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10079 2835SOL HW110077 1.567 7.115 0.421 -0.4113 -1.1741 0.5337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10080 2835SOL HW210078 1.419 7.175 0.458 0.2058 -0.0719 1.2662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10081 2836SOL OW10079 0.011 7.114 1.826 -0.4327 0.1731 0.8630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10082 2836SOL HW110080 0.007 7.034 1.886 -0.2188 0.3774 1.1516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10083 2836SOL HW210081 0.061 7.187 1.871 0.9158 -0.1187 -0.0839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10084 2837SOL OW10082 1.034 6.581 0.548 -0.2869 0.0985 -0.3401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10085 2837SOL HW110083 0.961 6.612 0.609 0.5294 2.7584 -0.5660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10086 2837SOL HW210084 1.122 6.617 0.581 0.5529 -0.8245 -1.5137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10087 2838SOL OW10085 0.772 6.870 1.353 -0.5497 0.1408 0.6007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10088 2838SOL HW110086 0.752 6.928 1.432 0.6804 0.1053 0.9582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10089 2838SOL HW210087 0.691 6.817 1.329 -1.6180 1.7609 0.4572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10090 2839SOL OW10088 0.222 7.060 0.108 0.2736 0.3725 -0.2688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10091 2839SOL HW110089 0.200 7.156 0.126 1.0485 0.6443 -0.7075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10092 2839SOL HW210090 0.297 7.031 0.168 -1.4530 -0.6497 1.4818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10093 2840SOL OW10091 1.787 5.714 0.975 -0.4164 -0.0442 0.0494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10094 2840SOL HW110092 1.844 5.661 0.912 0.9552 1.3820 0.0205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10095 2840SOL HW210093 1.703 5.740 0.929 0.0207 -0.0692 -0.7892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10096 2841SOL OW10094 0.202 5.890 0.787 -0.1874 0.2723 0.0709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10097 2841SOL HW110095 0.131 5.928 0.728 -0.2860 -0.2069 -0.1162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10098 2841SOL HW210096 0.165 5.812 0.837 0.3871 -0.3629 -0.4862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10099 2842SOL OW10097 1.329 6.968 0.015 0.0864 0.2628 -0.4179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10100 2842SOL HW110098 1.279 7.001 0.095 3.2474 0.0040 1.8347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10101 2842SOL HW210099 1.276 6.987 -0.068 -2.9341 1.3474 1.6143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10102 2843SOL OW10100 1.053 6.235 1.165 -0.2844 -0.0032 0.0389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10103 2843SOL HW110101 1.047 6.186 1.252 -2.9855 -0.7102 -0.4357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10104 2843SOL HW210102 1.106 6.319 1.178 1.5017 -1.2909 1.7107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10105 2844SOL OW10103 0.929 6.782 0.385 -0.2065 0.1304 -0.0157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10106 2844SOL HW110104 0.979 6.798 0.300 -0.5820 0.4542 -0.1764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10107 2844SOL HW210105 0.975 6.710 0.438 -1.1152 -1.6289 -1.4791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10108 2845SOL OW10106 0.211 6.943 1.528 -0.0985 0.1961 0.2207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10109 2845SOL HW110107 0.127 6.974 1.483 -0.4767 -1.3863 -0.2149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10110 2845SOL HW210108 0.227 6.847 1.506 0.4290 -0.2682 2.4042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10111 2846SOL OW10109 1.594 6.883 1.186 -0.1900 0.5667 -0.0290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10112 2846SOL HW110110 1.687 6.882 1.223 -0.4279 0.4455 0.5772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10113 2846SOL HW210111 1.533 6.930 1.250 -1.2817 -2.5676 1.4517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10114 2847SOL OW10112 0.864 7.033 0.467 0.0641 -0.0621 -0.3686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10115 2847SOL HW110113 0.894 6.946 0.429 -0.3313 0.0384 -0.9400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10116 2847SOL HW210114 0.930 7.065 0.535 0.0631 -0.9369 0.0479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10117 2848SOL OW10115 0.951 5.658 0.955 -0.1146 -0.4572 -0.1779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10118 2848SOL HW110116 0.853 5.640 0.960 0.0176 -1.0158 0.6973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10119 2848SOL HW210117 1.000 5.572 0.944 0.3148 -0.2739 0.2373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10120 2849SOL OW10118 0.600 6.976 0.560 -0.0559 -0.2768 0.2855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10121 2849SOL HW110119 0.689 7.007 0.528 -1.7631 1.2221 -3.5765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10122 2849SOL HW210120 0.593 6.877 0.547 0.5286 -0.1818 -0.9294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10123 2850SOL OW10121 1.947 5.924 1.420 -0.1460 -0.0092 -0.2322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10124 2850SOL HW110122 1.955 6.017 1.387 -0.6298 0.0488 -0.1930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10125 2850SOL HW210123 1.877 5.875 1.367 -1.4562 0.3034 1.1294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10126 2851SOL OW10124 0.123 6.792 0.476 -0.4147 -0.0343 -0.8900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10127 2851SOL HW110125 0.120 6.810 0.378 1.6802 -0.3196 -1.0584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10128 2851SOL HW210126 0.160 6.872 0.523 1.4840 -0.9444 -0.7351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10129 2852SOL OW10127 0.113 6.469 1.669 -0.2979 -0.5799 0.0260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10130 2852SOL HW110128 0.024 6.424 1.662 -0.1553 -0.9803 0.6997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10131 2852SOL HW210129 0.184 6.400 1.685 -0.1728 -0.0818 1.9002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10132 2853SOL OW10130 0.779 5.567 1.316 -0.0595 0.0350 -0.7436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10133 2853SOL HW110131 0.860 5.519 1.283 -0.0656 -0.4169 -0.1175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10134 2853SOL HW210132 0.772 5.656 1.271 0.2814 -0.2985 -1.4732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10135 2854SOL OW10133 7.230 5.907 0.080 -0.2077 0.1440 0.4244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10136 2854SOL HW110134 7.253 5.931 0.174 -1.3546 -0.1101 0.7876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10137 2854SOL HW210135 7.234 5.988 0.022 0.8135 0.2423 0.6176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10138 2855SOL OW10136 1.362 6.435 1.319 -0.4762 -0.2863 0.6058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10139 2855SOL HW110137 1.273 6.430 1.273 0.2852 -0.7351 -0.8856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10140 2855SOL HW210138 1.433 6.459 1.252 0.5610 -0.0774 1.7388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10141 2856SOL OW10139 7.133 5.703 0.377 -0.5183 0.4750 -0.0184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10142 2856SOL HW110140 7.156 5.630 0.313 4.8911 1.7530 -0.0853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10143 2856SOL HW210141 7.144 5.668 0.471 2.9547 1.0884 -0.0415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10144 2857SOL OW10142 1.107 6.955 0.198 -0.4475 0.2183 -0.2037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10145 2857SOL HW110143 1.068 7.042 0.167 -2.3068 -0.1084 1.0715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10146 2857SOL HW210144 1.166 6.972 0.278 0.7413 0.4979 -1.1039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10147 2858SOL OW10145 0.702 6.176 1.339 0.6561 0.8145 -0.4426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10148 2858SOL HW110146 0.683 6.250 1.275 -3.5683 1.0069 0.7293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10149 2858SOL HW210147 0.691 6.088 1.293 3.0723 0.8041 -1.1676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10150 2859SOL OW10148 1.312 7.259 0.776 -0.5594 0.7885 0.4399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10151 2859SOL HW110149 1.318 7.247 0.875 2.9810 -2.6424 0.0692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10152 2859SOL HW210150 1.373 7.333 0.748 -0.1427 0.5441 0.7069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10153 2860SOL OW10151 0.774 5.901 1.640 0.8577 -0.4184 -0.1881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10154 2860SOL HW110152 0.848 5.925 1.702 0.4988 1.1432 -0.3265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10155 2860SOL HW210153 0.714 5.834 1.685 1.8045 -0.9610 0.2922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10156 2861SOL OW10154 1.527 6.719 1.690 -0.2055 -0.2552 -0.5884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10157 2861SOL HW110155 1.586 6.641 1.710 -0.6966 -0.6687 -0.7354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10158 2861SOL HW210156 1.583 6.800 1.672 0.2831 -0.0955 1.4272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10159 2862SOL OW10157 1.549 6.420 1.120 -0.2253 -0.5162 0.5075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10160 2862SOL HW110158 1.552 6.329 1.078 0.1448 -0.7023 0.9251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10161 2862SOL HW210159 1.531 6.489 1.050 -0.4732 -0.9090 0.1825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10162 2863SOL OW10160 1.166 5.847 0.514 0.0750 -0.2310 -0.7553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10163 2863SOL HW110161 1.203 5.766 0.469 -0.2967 0.0021 -1.5000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10164 2863SOL HW210162 1.147 5.827 0.610 -1.9589 -1.6765 -1.4050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10165 2864SOL OW10163 0.523 6.322 0.635 -0.2804 0.0660 -0.0784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10166 2864SOL HW110164 0.536 6.369 0.722 -0.4901 -0.1657 0.0802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10167 2864SOL HW210165 0.568 6.373 0.562 0.4621 -0.0850 0.2655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10168 2865SOL OW10166 1.913 5.831 1.705 0.2865 -0.3919 -0.3670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10169 2865SOL HW110167 1.959 5.843 1.617 -0.1321 -1.9548 -0.8216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10170 2865SOL HW210168 1.856 5.912 1.723 2.0820 0.9537 -0.4305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10171 2866SOL OW10169 1.723 6.475 1.316 0.0444 -0.3746 -0.1713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10172 2866SOL HW110170 1.690 6.544 1.380 -0.5469 -1.3184 0.5651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10173 2866SOL HW210171 1.660 6.471 1.237 0.7251 0.7231 -0.7967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10174 2867SOL OW10172 0.761 7.098 0.050 0.6322 0.6098 -0.1505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10175 2867SOL HW110173 0.733 7.015 0.097 0.5973 0.2691 -0.7566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10176 2867SOL HW210174 0.732 7.093 -0.046 -0.7121 1.9778 0.1458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10177 2868SOL OW10175 0.598 6.446 0.865 0.1891 0.7485 0.6741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10178 2868SOL HW110176 0.692 6.411 0.870 0.1243 0.6472 1.1403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10179 2868SOL HW210177 0.590 6.529 0.921 -0.1612 0.4058 1.1320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10180 2869SOL OW10178 0.994 6.533 0.136 -0.1733 -0.2960 0.2292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10181 2869SOL HW110179 0.911 6.543 0.081 0.9802 0.9692 -1.3665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10182 2869SOL HW210180 0.997 6.440 0.174 -1.2186 -1.0977 -1.5004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10183 2870SOL OW10181 1.662 0.025 1.055 1.0186 0.5492 0.0153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10184 2870SOL HW110182 1.618 -0.058 1.021 2.3158 0.1373 -0.7138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10185 2870SOL HW210183 1.755 0.030 1.020 1.1585 2.0117 0.5371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10186 2871SOL OW10184 0.633 6.743 1.951 0.0422 0.2159 -0.3410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10187 2871SOL HW110185 0.646 6.674 2.023 -0.1304 1.0105 0.4712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10188 2871SOL HW210186 0.558 6.804 1.977 1.0474 1.5149 -0.4168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10189 2872SOL OW10187 7.136 6.665 0.764 0.0561 -0.1440 0.0117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10190 2872SOL HW110188 7.094 6.756 0.771 -0.2268 -0.2930 0.2958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10191 2872SOL HW210189 7.171 6.651 0.672 -1.0655 -0.2453 -0.4159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10192 2873SOL OW10190 0.639 6.975 1.591 -0.4895 0.2453 0.6456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10193 2873SOL HW110191 0.557 6.918 1.597 -1.0816 0.6055 -2.4393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10194 2873SOL HW210192 0.613 7.071 1.583 0.4000 0.6804 2.3844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10195 2874SOL OW10193 1.784 5.780 1.245 -0.2755 -0.0738 -0.1099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10196 2874SOL HW110194 1.783 5.691 1.290 -0.4202 0.8571 1.7948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10197 2874SOL HW210195 1.755 5.769 1.150 -1.6466 -1.8634 0.4595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10198 2875SOL OW10196 0.318 5.974 0.365 0.0330 -0.5498 -0.5461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10199 2875SOL HW110197 0.395 5.986 0.427 -1.1421 -1.1513 1.0904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10200 2875SOL HW210198 0.329 5.888 0.315 0.6831 -0.3623 -0.7352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10201 2876SOL OW10199 1.527 7.039 0.976 0.6314 -0.0780 0.1943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10202 2876SOL HW110200 1.430 7.020 0.966 0.7457 -0.5479 -0.0421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10203 2876SOL HW210201 1.569 6.972 1.037 0.6362 0.6607 1.0201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10204 2877SOL OW10202 0.343 6.126 1.134 0.3370 0.1424 0.0907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10205 2877SOL HW110203 0.351 6.040 1.184 0.4405 -0.0443 -0.2486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10206 2877SOL HW210204 0.346 6.109 1.036 1.8785 0.6628 0.0123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10207 2878SOL OW10205 0.558 7.167 0.766 0.2305 -0.3261 0.4781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10208 2878SOL HW110206 0.515 7.251 0.732 1.0027 0.1089 0.5375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10209 2878SOL HW210207 0.560 7.098 0.694 -1.4904 -0.7468 0.7696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10210 2879SOL OW10208 1.573 5.902 1.129 -1.1020 -0.5074 0.4676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10211 2879SOL HW110209 1.653 5.895 1.189 -1.4899 -0.6936 0.9835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10212 2879SOL HW210210 1.495 5.857 1.174 -1.4101 -0.6203 -0.1708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10213 2880SOL OW10211 1.056 5.412 0.949 0.4666 -0.4266 0.3443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10214 2880SOL HW110212 0.986 5.346 0.921 1.5169 -1.3432 -0.2240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10215 2880SOL HW210213 1.142 5.364 0.967 0.8237 0.6100 1.5536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10216 2881SOL OW10214 0.616 6.914 0.199 -0.2483 -0.4175 0.2530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10217 2881SOL HW110215 0.529 6.913 0.249 0.1170 1.2567 0.9837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10218 2881SOL HW210216 0.691 6.901 0.264 0.1310 -0.5099 -0.2003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10219 2882SOL OW10217 0.608 7.238 1.523 0.1550 0.1292 0.9302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10220 2882SOL HW110218 0.547 7.213 1.448 0.4631 -2.1764 1.3626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10221 2882SOL HW210219 0.689 7.283 1.487 0.3835 -1.1107 -0.1611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10222 2883SOL OW10220 1.238 5.357 0.143 0.2061 -0.1592 0.4336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10223 2883SOL HW110221 1.320 5.309 0.113 -0.1884 -0.2292 -0.5636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10224 2883SOL HW210222 1.194 5.305 0.217 0.3972 -0.7430 0.1393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10225 2884SOL OW10223 1.055 5.822 0.763 0.1305 -0.1317 0.2104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10226 2884SOL HW110224 1.100 5.892 0.819 1.0473 -0.8266 0.3659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10227 2884SOL HW210225 1.030 5.744 0.821 1.4574 -1.0316 -0.3925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10228 2885SOL OW10226 1.550 5.798 0.874 -0.5802 0.0040 0.1989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10229 2885SOL HW110227 1.553 5.836 0.967 2.6498 2.2932 -0.6561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10230 2885SOL HW210228 1.528 5.871 0.809 1.7098 -0.4034 -1.1538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10231 2886SOL OW10229 7.056 6.779 0.079 0.1063 0.4717 -0.0760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10232 2886SOL HW110230 6.979 6.843 0.082 1.3974 2.2096 -1.6275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10233 2886SOL HW210231 7.133 6.819 0.129 0.1797 -1.0668 1.1159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10234 2887SOL OW10232 0.335 6.081 1.899 -0.1629 -0.5653 -0.4180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10235 2887SOL HW110233 0.250 6.048 1.941 -1.0055 0.2861 -1.4370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10236 2887SOL HW210234 0.315 6.156 1.836 1.6050 1.2508 1.0695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10237 2888SOL OW10235 0.100 5.808 2.785 -0.7770 0.2089 -0.4427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10238 2888SOL HW110236 0.083 5.783 2.881 -0.1446 -1.5520 -0.7477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10239 2888SOL HW210237 0.014 5.832 2.741 -1.1425 0.5586 0.4371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10240 2889SOL OW10238 7.127 5.557 2.442 0.4519 -0.5346 -0.3783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10241 2889SOL HW110239 7.127 5.656 2.427 -1.0879 -0.6087 -0.9949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10242 2889SOL HW210240 7.149 5.538 2.538 -0.3667 0.4655 0.0241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10243 2890SOL OW10241 0.608 6.642 2.713 -0.2846 0.6610 0.2238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10244 2890SOL HW110242 0.537 6.705 2.742 -0.1301 1.1181 -0.3685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10245 2890SOL HW210243 0.606 6.560 2.770 -2.6203 -0.2619 -1.0632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10246 2891SOL OW10244 1.413 7.039 2.499 0.1235 -0.0326 0.0477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10247 2891SOL HW110245 1.355 6.961 2.522 -1.7442 1.8046 1.9760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10248 2891SOL HW210246 1.416 7.050 2.400 -1.7091 -1.0297 -0.1625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10249 2892SOL OW10247 1.199 6.212 2.391 0.1352 0.3500 0.2555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10250 2892SOL HW110248 1.287 6.248 2.421 0.5196 -1.7260 1.7953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10251 2892SOL HW210249 1.128 6.239 2.457 0.0510 0.1066 0.2668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10252 2893SOL OW10250 1.749 6.090 2.037 -0.7086 0.4000 -0.2735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10253 2893SOL HW110251 1.752 6.044 1.948 -0.6632 0.6386 -0.3971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10254 2893SOL HW210252 1.767 6.024 2.110 -0.8343 0.1847 -0.4359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10255 2894SOL OW10253 0.815 6.777 2.605 0.0583 0.1439 0.0280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10256 2894SOL HW110254 0.745 6.731 2.660 0.3088 0.0820 0.2967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10257 2894SOL HW210255 0.773 6.815 2.523 -0.0683 -1.0019 -0.4569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10258 2895SOL OW10256 0.871 6.245 3.585 -0.3572 0.0073 0.1751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10259 2895SOL HW110257 0.818 6.276 3.663 0.4045 -1.1438 1.1891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10260 2895SOL HW210258 0.899 6.323 3.530 -0.0080 0.9426 1.6324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10261 2896SOL OW10259 0.840 6.616 2.287 -0.6132 0.4419 0.5336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10262 2896SOL HW110260 0.857 6.554 2.364 -0.1846 -0.1433 -0.0138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10263 2896SOL HW210261 0.746 6.605 2.256 -0.3325 -0.5251 -0.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10264 2897SOL OW10262 0.430 6.697 3.474 -0.3878 -0.6007 -0.2363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10265 2897SOL HW110263 0.487 6.737 3.546 1.4568 0.5518 -2.2075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10266 2897SOL HW210264 0.414 6.765 3.403 -1.7718 -1.8242 -1.1529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10267 2898SOL OW10265 0.377 6.758 2.797 -0.0699 0.1176 0.0083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10268 2898SOL HW110266 0.326 6.674 2.815 0.0316 0.3864 1.7073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10269 2898SOL HW210267 0.315 6.826 2.756 -0.4106 -0.4259 -0.3860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10270 2899SOL OW10268 1.390 6.992 3.238 -0.3782 -0.0492 -0.0279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10271 2899SOL HW110269 1.392 7.089 3.263 -1.4898 0.0683 -0.3260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10272 2899SOL HW210270 1.361 6.938 3.317 -1.0836 0.0207 -0.2260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10273 2900SOL OW10271 0.359 5.754 3.155 -0.8488 0.2972 -0.4288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10274 2900SOL HW110272 0.289 5.743 3.227 -0.6541 1.9800 0.0628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10275 2900SOL HW210273 0.316 5.791 3.073 -0.7734 -0.0734 -0.6402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10276 2901SOL OW10274 1.613 6.030 2.419 -0.0537 -0.6095 -0.1913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10277 2901SOL HW110275 1.575 6.058 2.331 -0.1659 -0.3746 -0.0695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10278 2901SOL HW210276 1.563 6.076 2.493 -0.6753 -1.6200 0.0404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10279 2902SOL OW10277 1.113 6.975 3.581 -0.0114 0.3921 -0.2363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10280 2902SOL HW110278 1.204 6.961 3.540 0.1373 1.0945 -0.1451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10281 2902SOL HW210279 1.091 6.895 3.637 0.4196 0.0815 -0.4898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10282 2903SOL OW10280 0.150 6.940 2.155 -0.3909 -0.0553 -0.1212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10283 2903SOL HW110281 0.139 7.038 2.173 0.4817 0.1678 -0.7312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10284 2903SOL HW210282 0.151 6.890 2.241 -2.7242 0.2416 0.1235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10285 2904SOL OW10283 0.505 6.622 2.441 0.1098 -0.2311 0.1149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10286 2904SOL HW110284 0.420 6.605 2.491 0.2183 -1.0573 0.0359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10287 2904SOL HW210285 0.583 6.617 2.504 0.2029 -0.7605 -0.0367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10288 2905SOL OW10286 0.496 6.343 1.832 -0.0651 -0.0904 -0.9411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10289 2905SOL HW110287 0.527 6.428 1.791 -0.3918 -0.0169 -1.0339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10290 2905SOL HW210288 0.560 6.270 1.808 0.1395 0.0997 -0.9760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10291 2906SOL OW10289 1.571 5.678 3.204 -0.1596 0.2485 -0.0541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10292 2906SOL HW110290 1.506 5.753 3.187 0.9694 1.9418 2.5126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10293 2906SOL HW210291 1.544 5.629 3.286 0.7988 -0.2158 -0.0117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10294 2907SOL OW10292 0.033 6.209 2.636 -0.0030 0.1507 0.1663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10295 2907SOL HW110293 0.130 6.226 2.624 -0.2557 1.3787 -0.3085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10296 2907SOL HW210294 -0.018 6.250 2.560 -0.8170 -1.3548 -0.1314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10297 2908SOL OW10295 7.179 6.887 1.985 -0.0228 0.1889 0.5886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10298 2908SOL HW110296 7.151 6.791 1.986 -0.8246 0.3767 -0.6240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10299 2908SOL HW210297 7.259 6.900 2.043 1.1429 -1.5565 -0.5445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10300 2909SOL OW10298 1.618 6.384 2.587 0.1776 0.1805 0.4816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10301 2909SOL HW110299 1.624 6.482 2.607 -2.3601 0.2899 0.9446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10302 2909SOL HW210300 1.565 6.338 2.658 0.6054 -1.4183 -0.1793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10303 2910SOL OW10301 1.739 6.486 2.245 -0.1072 0.1353 -0.3778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10304 2910SOL HW110302 1.745 6.386 2.256 0.6882 0.1833 -0.3910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10305 2910SOL HW210303 1.770 6.531 2.328 -1.3671 0.3781 -0.0056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10306 2911SOL OW10304 0.294 6.303 3.377 -0.5531 0.2956 -0.0921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10307 2911SOL HW110305 0.393 6.311 3.368 -0.2793 0.4789 2.3627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10308 2911SOL HW210306 0.255 6.392 3.398 -1.5361 0.5880 -2.7777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10309 2912SOL OW10307 0.657 6.868 2.422 0.1944 0.3084 -0.8567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10310 2912SOL HW110308 0.619 6.782 2.388 -0.5051 1.3497 -2.8897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10311 2912SOL HW210309 0.660 6.934 2.347 -1.1153 2.6959 1.0753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10312 2913SOL OW10310 1.352 6.893 3.495 0.3642 -0.5070 -0.3643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10313 2913SOL HW110311 1.393 6.806 3.467 1.5855 -0.3739 0.9392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10314 2913SOL HW210312 1.422 6.953 3.531 -0.9628 -0.3769 2.2388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10315 2914SOL OW10313 0.774 5.587 2.306 0.8144 -0.0143 -0.2777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10316 2914SOL HW110314 0.801 5.682 2.288 -1.3651 0.3436 -2.0376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10317 2914SOL HW210315 0.678 5.574 2.281 0.3450 -2.1130 2.2209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10318 2915SOL OW10316 0.342 6.547 3.002 0.2154 -0.3174 -0.2723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10319 2915SOL HW110317 0.399 6.486 2.947 -0.4754 -1.0405 -0.1994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10320 2915SOL HW210318 0.269 6.495 3.047 -0.1952 0.5060 0.0534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10321 2916SOL OW10319 1.698 6.677 2.058 0.3529 -0.3818 -0.0645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10322 2916SOL HW110320 1.643 6.746 2.104 0.1918 0.1014 -0.9617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10323 2916SOL HW210321 1.703 6.595 2.115 1.0585 0.5644 1.2861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10324 2917SOL OW10322 0.254 5.831 3.700 -0.4280 -0.2117 0.0583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10325 2917SOL HW110323 0.242 5.895 3.624 -1.0231 1.3790 1.4323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10326 2917SOL HW210324 0.269 5.739 3.664 2.7550 0.9636 -2.0668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10327 2918SOL OW10325 1.282 6.764 2.604 -0.2660 0.1308 -0.2434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10328 2918SOL HW110326 1.196 6.785 2.556 -0.5016 -0.7410 -0.2113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10329 2918SOL HW210327 1.262 6.719 2.691 0.2013 0.7883 0.2129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10330 2919SOL OW10328 0.666 6.160 1.688 0.4560 0.4624 -0.4554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10331 2919SOL HW110329 0.687 6.087 1.623 -1.3810 0.0064 -0.5829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10332 2919SOL HW210330 0.737 6.231 1.683 1.8725 -0.9284 -0.8631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10333 2920SOL OW10331 1.253 5.889 2.714 -0.4109 0.2650 0.2391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10334 2920SOL HW110332 1.208 5.804 2.688 -1.7121 1.3590 -1.2108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10335 2920SOL HW210333 1.334 5.867 2.770 -0.0450 -1.9607 -1.0330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10336 2921SOL OW10334 1.532 0.061 1.992 0.5212 0.2765 0.1811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10337 2921SOL HW110335 1.595 0.113 2.050 -1.3209 0.8261 1.8088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10338 2921SOL HW210336 1.513 -0.028 2.035 2.5452 -1.2388 -1.8685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10339 2922SOL OW10337 0.849 6.132 3.167 0.2516 0.4090 -0.3171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10340 2922SOL HW110338 0.811 6.091 3.250 1.2226 0.9156 0.4013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10341 2922SOL HW210339 0.914 6.068 3.126 -0.7445 -0.1306 -1.1019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10342 2923SOL OW10340 1.409 6.068 3.444 -0.3984 -0.0124 0.3846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10343 2923SOL HW110341 1.386 6.099 3.536 -0.0268 2.1280 -0.1799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10344 2923SOL HW210342 1.491 6.012 3.447 0.4848 1.2606 1.2275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10345 2924SOL OW10343 0.947 6.444 3.419 0.0521 -0.1719 -0.1870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10346 2924SOL HW110344 1.045 6.461 3.427 0.5378 -2.5675 -0.1761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10347 2924SOL HW210345 0.914 6.477 3.330 0.5029 1.9753 0.3972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10348 2925SOL OW10346 1.084 6.027 3.063 0.1035 -0.2120 0.2395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10349 2925SOL HW110347 1.117 6.090 3.133 1.2078 -0.1250 -0.3379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10350 2925SOL HW210348 1.070 6.076 2.977 -1.1034 -0.3466 0.3376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10351 2926SOL OW10349 1.094 6.248 2.137 -0.5166 -0.2167 -0.0419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10352 2926SOL HW110350 1.133 6.240 2.228 -1.9816 -0.0055 0.6317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10353 2926SOL HW210351 1.016 6.311 2.140 -0.4863 -0.0832 -1.4718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10354 2927SOL OW10352 0.235 6.547 2.543 -0.1669 0.0103 -0.1459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10355 2927SOL HW110353 0.248 6.449 2.530 -1.0491 -0.1910 0.4207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10356 2927SOL HW210354 0.169 6.563 2.617 -0.7662 1.0228 -0.8748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10357 2928SOL OW10355 0.058 0.097 3.297 -0.3124 0.9740 -0.5306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10358 2928SOL HW110356 0.108 0.051 3.369 -0.8923 -0.5114 -1.0398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10359 2928SOL HW210357 -0.024 0.140 3.335 0.4209 1.9361 0.0052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10360 2929SOL OW10358 0.771 5.981 2.048 -0.0133 0.0919 -0.4634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10361 2929SOL HW110359 0.867 5.995 2.024 -0.2666 0.1902 -1.4757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10362 2929SOL HW210360 0.716 5.980 1.964 -0.6299 -2.0538 -0.0776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10363 2930SOL OW10361 1.896 6.201 3.413 0.3457 -0.5256 -0.0189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10364 2930SOL HW110362 1.832 6.210 3.489 2.1185 1.3248 1.3831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10365 2930SOL HW210363 1.914 6.104 3.396 -1.8822 -1.0455 0.2929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10366 2931SOL OW10364 1.450 6.512 2.201 0.0237 0.2580 0.3116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10367 2931SOL HW110365 1.547 6.528 2.217 -0.0076 0.8635 -0.0802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10368 2931SOL HW210366 1.422 6.556 2.116 0.3085 -3.3023 -1.8326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10369 2932SOL OW10367 0.619 5.697 2.715 -0.1209 0.2340 -0.2574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10370 2932SOL HW110368 0.562 5.655 2.786 -0.8976 1.3438 -0.2101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10371 2932SOL HW210369 0.576 5.686 2.626 0.7455 -0.9554 -0.5630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10372 2933SOL OW10370 1.125 7.249 2.218 -0.0479 0.4278 0.0161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10373 2933SOL HW110371 1.102 7.255 2.121 -0.6483 -0.5121 0.0909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10374 2933SOL HW210372 1.045 7.273 2.273 -0.0789 -0.2598 0.2763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10375 2934SOL OW10373 0.380 7.205 2.475 -0.2982 0.3392 -0.0437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10376 2934SOL HW110374 0.437 7.147 2.534 -0.4047 0.0070 -0.2676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10377 2934SOL HW210375 0.396 7.301 2.499 0.1341 0.2299 0.0959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10378 2935SOL OW10376 1.773 6.772 2.806 0.1218 0.3227 -0.4447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10379 2935SOL HW110377 1.750 6.857 2.758 -2.5236 -1.0686 -1.8486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10380 2935SOL HW210378 1.696 6.744 2.863 1.1081 -0.9716 0.3141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10381 2936SOL OW10379 1.127 7.164 3.234 -0.1717 -0.1306 -0.1862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10382 2936SOL HW110380 1.188 7.188 3.310 -0.0718 2.2006 -0.9401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10383 2936SOL HW210381 1.124 7.239 3.169 -3.1915 -0.5316 -0.6228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10384 2937SOL OW10382 0.433 6.342 2.094 -0.3195 -0.4213 -0.4112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10385 2937SOL HW110383 0.452 6.329 1.997 1.7491 1.7820 -0.4044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10386 2937SOL HW210384 0.418 6.254 2.138 -1.8650 -1.4378 -2.7849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10387 2938SOL OW10385 1.248 6.348 2.839 -0.2380 -0.5197 -0.1095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10388 2938SOL HW110386 1.256 6.251 2.815 1.3810 -0.5771 0.6051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10389 2938SOL HW210387 1.263 6.404 2.757 -1.7195 -0.8430 -0.6441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10390 2939SOL OW10388 0.615 6.949 3.173 -0.7069 -0.1389 -0.5731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10391 2939SOL HW110389 0.609 6.859 3.129 1.2943 -0.1389 -0.9412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10392 2939SOL HW210390 0.542 6.958 3.240 -0.7927 -2.1660 -0.3282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10393 2940SOL OW10391 0.261 5.745 3.395 -0.1523 -0.4478 -0.2699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10394 2940SOL HW110392 0.172 5.790 3.402 1.5426 2.9302 1.9625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10395 2940SOL HW210393 0.270 5.678 3.469 -1.0686 -1.4017 -0.9905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10396 2941SOL OW10394 1.484 7.014 1.930 -0.0756 0.1270 -0.6853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10397 2941SOL HW110395 1.440 7.047 1.846 0.5601 0.1903 -1.0001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10398 2941SOL HW210396 1.416 6.968 1.987 0.0476 -2.8001 -2.6721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10399 2942SOL OW10397 1.318 5.616 2.122 -0.5718 -0.3591 0.1196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10400 2942SOL HW110398 1.254 5.543 2.099 -0.6440 -0.4321 0.5335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10401 2942SOL HW210399 1.384 5.582 2.189 1.0620 -0.8521 -1.6497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10402 2943SOL OW10400 0.383 6.115 2.235 0.0694 1.0042 -0.0445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10403 2943SOL HW110401 0.403 6.026 2.194 -1.2502 0.7601 -0.1999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10404 2943SOL HW210402 0.284 6.130 2.237 0.0508 1.1460 2.7548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10405 2944SOL OW10403 1.592 5.839 3.496 -0.2819 0.0403 0.2904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10406 2944SOL HW110404 1.578 5.858 3.593 0.2835 -0.5136 0.4877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10407 2944SOL HW210405 1.533 5.765 3.467 -1.0753 0.7718 -0.0068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10408 2945SOL OW10406 0.703 5.522 1.953 -0.4642 0.4254 -0.2403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10409 2945SOL HW110407 0.796 5.518 1.916 -1.0494 -0.4563 -1.7175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10410 2945SOL HW210408 0.680 5.435 1.996 -1.5128 -0.3877 -2.3164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10411 2946SOL OW10409 0.590 5.910 3.560 -0.3241 0.4573 -0.1530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10412 2946SOL HW110410 0.618 5.824 3.518 0.0508 0.7351 -0.4930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10413 2946SOL HW210411 0.511 5.896 3.618 -1.8849 0.3390 -2.2110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10414 2947SOL OW10412 0.867 7.156 3.041 -0.3923 0.4857 -0.5180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10415 2947SOL HW110413 0.853 7.195 3.132 0.3767 -0.3162 -0.0388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10416 2947SOL HW210414 0.911 7.067 3.050 -2.6349 -0.8152 -1.5361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10417 2948SOL OW10415 1.469 6.122 3.173 0.3228 -0.1030 -0.5196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10418 2948SOL HW110416 1.416 6.123 3.257 1.1346 -0.6706 0.0134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10419 2948SOL HW210417 1.457 6.209 3.125 -2.1561 -0.7023 -1.1265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10420 2949SOL OW10418 0.745 7.013 2.784 0.0618 -0.0167 0.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10421 2949SOL HW110419 0.758 7.103 2.827 0.1432 0.1288 -0.2988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10422 2949SOL HW210420 0.790 6.943 2.840 -0.8187 0.0138 0.8102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10423 2950SOL OW10421 1.084 6.080 2.796 -0.2453 0.4493 0.1945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10424 2950SOL HW110422 0.997 6.058 2.754 0.5020 2.6151 -2.8486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10425 2950SOL HW210423 1.155 6.017 2.762 0.1318 1.4503 -0.9679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10426 2951SOL OW10424 0.517 5.559 2.244 -0.3837 -0.2304 -0.0072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10427 2951SOL HW110425 0.480 5.599 2.328 -1.5382 -0.1770 -0.5137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10428 2951SOL HW210426 0.517 5.628 2.172 1.5124 0.0024 0.1732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10429 2952SOL OW10427 1.375 6.627 1.975 -1.0332 -0.0813 -0.0700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10430 2952SOL HW110428 1.337 6.576 1.897 -0.8185 -1.3344 0.6200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10431 2952SOL HW210429 1.331 6.717 1.980 -0.5702 0.2990 -2.0252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10432 2953SOL OW10430 0.228 5.535 1.901 -0.2270 0.1481 0.2523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10433 2953SOL HW110431 0.276 5.591 1.834 -1.0585 0.2674 -0.2669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10434 2953SOL HW210432 0.294 5.481 1.954 0.6357 2.1054 1.2484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10435 2954SOL OW10433 0.835 5.849 2.279 0.4945 -0.3344 -0.5004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10436 2954SOL HW110434 0.791 5.884 2.196 -2.0923 0.4821 1.1105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10437 2954SOL HW210435 0.931 5.875 2.279 0.3112 0.5446 -2.7283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10438 2955SOL OW10436 1.250 6.409 3.435 0.2665 0.3181 0.1196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10439 2955SOL HW110437 1.261 6.424 3.533 -1.4105 1.2987 0.1951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10440 2955SOL HW210438 1.304 6.477 3.385 -0.6763 1.2899 0.4004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10441 2956SOL OW10439 1.158 6.965 2.288 0.0264 0.5528 -0.0672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10442 2956SOL HW110440 1.061 6.941 2.290 0.4540 -1.2273 0.6645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10443 2956SOL HW210441 1.167 7.064 2.280 -1.8482 0.8117 0.5390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10444 2957SOL OW10442 0.582 6.559 2.174 0.4218 -0.2215 0.1729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10445 2957SOL HW110443 0.527 6.586 2.253 -0.8332 0.1589 -0.7978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10446 2957SOL HW210444 0.538 6.483 2.127 -0.7520 1.7145 -2.0907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10447 2958SOL OW10445 1.022 5.985 1.736 0.4927 0.1614 -0.6791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10448 2958SOL HW110446 1.049 6.066 1.685 1.8767 0.2420 0.1307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10449 2958SOL HW210447 1.021 6.006 1.834 0.1043 -0.5878 -0.5104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10450 2959SOL OW10448 0.231 6.086 3.231 0.4521 0.2838 0.0111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10451 2959SOL HW110449 0.282 6.066 3.147 0.7134 -0.1973 0.2791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10452 2959SOL HW210450 0.279 6.156 3.283 1.4038 -0.8865 0.7573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10453 2960SOL OW10451 0.526 5.624 2.973 -0.1729 -0.5116 0.8672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10454 2960SOL HW110452 0.618 5.649 3.002 -0.4940 1.0746 0.6130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10455 2960SOL HW210453 0.462 5.642 3.048 -0.9018 2.9295 -0.4012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10456 2961SOL OW10454 0.670 5.984 2.440 -0.2136 0.5274 -0.5759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10457 2961SOL HW110455 0.679 6.073 2.396 1.2493 0.0061 -1.4355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10458 2961SOL HW210456 0.736 5.921 2.399 -0.1359 -0.5227 1.0760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10459 2962SOL OW10457 0.842 5.592 2.619 -0.2299 0.0618 -0.1245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10460 2962SOL HW110458 0.761 5.640 2.652 -0.6951 0.2614 -1.4794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10461 2962SOL HW210459 0.824 5.557 2.527 1.2559 0.1638 -0.4725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10462 2963SOL OW10460 1.338 6.487 2.604 0.6386 -0.2649 -0.2465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10463 2963SOL HW110461 1.283 6.524 2.529 -0.2324 0.7619 0.8583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10464 2963SOL HW210462 1.434 6.512 2.590 0.3183 0.9278 -0.4320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10465 2964SOL OW10463 1.461 6.068 2.649 0.0733 -0.3987 -0.1079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10466 2964SOL HW110464 1.381 6.015 2.678 0.0720 -0.0895 0.4729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10467 2964SOL HW210465 1.512 6.099 2.730 -0.2077 0.9048 -0.4014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10468 2965SOL OW10466 1.917 6.255 2.279 0.0429 -0.3293 0.3145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10469 2965SOL HW110467 1.962 6.281 2.364 0.7433 -0.1800 -0.0938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10470 2965SOL HW210468 1.892 6.158 2.282 -1.4527 0.0631 1.3492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10471 2966SOL OW10469 0.575 7.065 2.001 0.1027 0.1047 -0.6934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10472 2966SOL HW110470 0.481 7.031 1.998 0.0796 0.1745 -0.7800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10473 2966SOL HW210471 0.594 7.117 1.918 0.5559 -0.7929 -1.1652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10474 2967SOL OW10472 1.585 6.671 2.582 0.3140 -0.0780 0.2938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10475 2967SOL HW110473 1.660 6.735 2.567 -1.1997 2.0038 1.1283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10476 2967SOL HW210474 1.499 6.721 2.590 -0.9812 -2.2443 0.8675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10477 2968SOL OW10475 1.329 5.996 1.842 -0.2921 -0.1811 -0.2743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10478 2968SOL HW110476 1.245 5.959 1.881 -0.6234 -0.1194 -0.9216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10479 2968SOL HW210477 1.408 5.958 1.891 -0.6598 -1.0046 -0.3134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10480 2969SOL OW10478 0.546 5.761 2.044 -0.3729 0.2025 0.1817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10481 2969SOL HW110479 0.608 5.691 2.009 -2.0890 -1.2808 -0.0542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10482 2969SOL HW210480 0.544 5.839 1.982 -1.0513 -1.0617 -1.4579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10483 2970SOL OW10481 1.772 7.119 3.326 0.4139 -0.0394 -0.7457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10484 2970SOL HW110482 1.838 7.112 3.401 -0.0039 1.1884 -0.2294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10485 2970SOL HW210483 1.706 7.044 3.333 -1.2672 1.5298 1.8136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10486 2971SOL OW10484 1.023 6.946 3.141 -0.4039 -0.3337 -0.1448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10487 2971SOL HW110485 0.955 6.922 3.210 0.0874 -0.6282 0.2388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10488 2971SOL HW210486 1.075 7.026 3.173 -0.7969 0.1150 -0.5962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10489 2972SOL OW10487 1.360 7.207 3.376 0.6982 -0.0653 -0.4033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10490 2972SOL HW110488 1.380 7.305 3.366 -0.4904 0.1516 -0.7611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10491 2972SOL HW210489 1.366 7.182 3.472 -0.1424 0.6281 -0.1601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10492 2973SOL OW10490 1.159 6.863 2.902 -0.2791 0.8580 -0.1078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10493 2973SOL HW110491 1.096 6.883 2.976 -1.6187 0.0687 -0.9871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10494 2973SOL HW210492 1.114 6.877 2.814 -0.2692 -2.4165 -0.7978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10495 2974SOL OW10493 1.562 6.725 2.981 0.4447 -0.4525 -0.0933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10496 2974SOL HW110494 1.625 6.754 3.054 -0.2559 2.1871 -0.4153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10497 2974SOL HW210495 1.471 6.713 3.020 0.2693 0.0279 -0.3445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10498 2975SOL OW10496 1.048 5.703 3.016 -0.3373 0.3802 -0.3778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10499 2975SOL HW110497 1.140 5.665 3.011 -0.8689 -1.2602 1.1914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10500 2975SOL HW210498 1.045 5.775 3.085 -0.5866 -0.8113 0.8939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10501 2976SOL OW10499 0.774 6.672 3.518 -0.5448 -0.4015 0.3617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10502 2976SOL HW110500 0.779 6.671 3.618 -0.5613 -2.4052 0.3749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10503 2976SOL HW210501 0.837 6.604 3.481 -0.6242 0.2427 -1.0033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10504 2977SOL OW10502 0.871 6.411 2.113 0.7086 0.2215 0.3111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10505 2977SOL HW110503 0.857 6.492 2.170 0.5853 0.5923 -0.2331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10506 2977SOL HW210504 0.876 6.439 2.017 0.2364 -0.4652 0.0787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10507 2978SOL OW10505 0.505 6.345 2.880 -0.1752 -0.9502 0.2993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10508 2978SOL HW110506 0.567 6.343 2.958 -0.5473 1.0275 0.6993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10509 2978SOL HW210507 0.449 6.263 2.880 -2.5769 0.4104 4.1610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10510 2979SOL OW10508 1.398 5.876 3.120 -0.6520 0.0017 -0.9717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10511 2979SOL HW110509 1.438 5.968 3.123 2.4220 -1.2043 -0.3205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10512 2979SOL HW210510 1.329 5.868 3.191 1.6018 0.8372 1.5134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10513 2980SOL OW10511 0.059 7.193 3.079 -0.2372 0.3427 0.0121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10514 2980SOL HW110512 0.036 7.245 3.162 -1.5331 1.5052 -1.0301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10515 2980SOL HW210513 0.104 7.108 3.105 1.8851 1.8776 1.8117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10516 2981SOL OW10514 0.209 6.508 2.145 0.6381 0.4934 -0.7648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10517 2981SOL HW110515 0.295 6.457 2.149 0.7790 0.7749 2.1242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10518 2981SOL HW210516 0.134 6.446 2.125 1.2730 -0.0673 -1.4689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10519 2982SOL OW10517 0.411 5.905 2.450 0.2073 -0.1015 0.0604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10520 2982SOL HW110518 0.392 5.932 2.355 -0.0493 -0.9738 -0.1544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10521 2982SOL HW210519 0.509 5.912 2.468 0.3905 -0.8299 -0.5814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10522 2983SOL OW10520 1.584 6.851 2.213 -0.8555 -0.3201 0.2267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10523 2983SOL HW110521 1.606 6.932 2.159 -0.0021 -0.7188 -0.0354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10524 2983SOL HW210522 1.519 6.876 2.285 -1.3361 0.3958 -0.4340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10525 2984SOL OW10523 1.398 6.987 2.963 0.2520 -0.0790 -0.5364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10526 2984SOL HW110524 1.388 7.011 3.060 1.1243 1.2622 -0.7515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10527 2984SOL HW210525 1.324 6.925 2.937 -1.0204 0.9093 0.5664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10528 2985SOL OW10526 1.528 6.146 2.164 0.2417 -0.1053 -0.2753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10529 2985SOL HW110527 1.513 6.216 2.233 -0.4705 -0.2893 -0.2415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10530 2985SOL HW210528 1.613 6.166 2.115 0.9165 -0.1515 0.8506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10531 2986SOL OW10529 0.191 6.977 3.174 0.4037 -0.2624 -0.1913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10532 2986SOL HW110530 0.268 7.025 3.131 2.7321 -1.9284 1.8652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10533 2986SOL HW210531 0.219 6.885 3.200 -1.9043 -0.4876 1.8378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10534 2987SOL OW10532 0.568 6.275 3.332 -0.2488 0.5371 0.3629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10535 2987SOL HW110533 0.601 6.303 3.242 -0.5619 1.9576 0.6711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10536 2987SOL HW210534 0.615 6.191 3.359 3.0889 2.3100 0.6866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10537 2988SOL OW10535 1.639 6.524 3.591 0.2016 -0.1027 -0.0308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10538 2988SOL HW110536 1.603 6.447 3.537 -3.1531 1.1807 0.1514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10539 2988SOL HW210537 1.721 6.559 3.547 -0.0475 -1.7111 -1.9590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10540 2989SOL OW10538 0.983 5.796 3.305 0.2909 0.1189 -0.1071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10541 2989SOL HW110539 0.949 5.788 3.399 -0.7082 -0.9896 -0.5397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10542 2989SOL HW210540 0.912 5.835 3.247 0.2561 -0.8498 -0.7377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10543 2990SOL OW10541 0.539 5.685 3.406 -0.0782 -0.1251 0.1105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10544 2990SOL HW110542 0.538 5.606 3.344 3.0592 1.0641 -1.7216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10545 2990SOL HW210543 0.486 5.760 3.365 0.5816 0.1013 -0.3542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10546 2991SOL OW10544 0.657 6.297 2.642 -0.2694 0.0840 0.0989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10547 2991SOL HW110545 0.587 6.269 2.707 -0.7955 -1.0009 -0.8894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10548 2991SOL HW210546 0.623 6.283 2.549 -0.0072 2.7342 -0.4686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10549 2992SOL OW10547 1.082 6.460 3.033 0.0281 0.0009 0.0797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10550 2992SOL HW110548 1.138 6.427 2.957 -0.6714 0.7291 -0.7936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10551 2992SOL HW210549 1.083 6.394 3.108 0.8943 -0.6472 -0.4922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10552 2993SOL OW10550 1.032 6.006 2.014 0.7328 0.1065 0.2469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10553 2993SOL HW110551 1.064 5.927 2.067 -0.9632 0.6492 2.2059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10554 2993SOL HW210552 1.068 6.090 2.054 -0.3153 0.5140 0.3558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10555 2994SOL OW10553 0.052 5.718 3.050 0.1957 -0.4365 -0.2274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10556 2994SOL HW110554 0.045 5.778 3.129 1.8236 -0.5331 0.0273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10557 2994SOL HW210555 0.021 5.626 3.074 1.8836 -0.7912 0.7075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10558 2995SOL OW10556 7.021 6.882 3.055 -0.8252 0.0846 -0.3219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10559 2995SOL HW110557 6.972 6.812 3.106 1.7355 -1.5188 0.1001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10560 2995SOL HW210558 7.119 6.862 3.055 -0.3167 1.9503 -2.8932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10561 2996SOL OW10559 0.826 6.019 2.673 0.4990 0.2132 -0.2271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10562 2996SOL HW110560 0.772 5.979 2.598 -0.1026 -0.0072 0.3137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10563 2996SOL HW210561 0.795 6.112 2.691 -0.2967 -0.2034 0.6445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10564 2997SOL OW10562 1.782 6.676 3.796 0.4798 0.0585 0.0203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10565 2997SOL HW110563 1.688 6.708 3.788 0.9992 1.3316 -1.5956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10566 2997SOL HW210564 1.811 6.679 3.892 -0.5664 1.3574 0.3144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10567 2998SOL OW10565 0.447 5.630 2.492 0.4666 -0.1007 0.3389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10568 2998SOL HW110566 0.412 5.724 2.484 0.2352 -0.1272 1.0305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10569 2998SOL HW210567 0.399 5.582 2.565 0.8977 -0.6210 0.2878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10570 2999SOL OW10568 1.493 5.881 2.040 0.0780 -0.2799 -0.3049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10571 2999SOL HW110569 1.581 5.838 2.060 0.0724 -0.6966 -1.1267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10572 2999SOL HW210570 1.483 5.964 2.094 -0.3049 -1.7545 2.0409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10573 3000SOL OW10571 1.037 6.294 2.598 0.2087 0.2844 -0.7056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10574 3000SOL HW110572 1.006 6.388 2.587 2.7245 1.1928 -0.8426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10575 3000SOL HW210573 1.040 6.271 2.696 2.2764 1.4391 -0.4278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10576 3001SOL OW10574 0.995 7.169 3.780 -0.0013 -0.2184 0.5476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10577 3001SOL HW110575 1.048 7.253 3.766 -0.8786 -0.0229 -1.9316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10578 3001SOL HW210576 1.049 7.090 3.752 0.6275 -0.5120 2.3977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10579 3002SOL OW10577 1.709 7.217 3.701 0.4054 -0.0764 0.6688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10580 3002SOL HW110578 1.735 7.302 3.747 0.3736 0.7434 -0.7803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10581 3002SOL HW210579 1.642 7.168 3.758 0.9674 0.4895 1.8616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10582 3003SOL OW10580 0.498 6.441 3.573 -0.5866 -0.0248 -0.4037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10583 3003SOL HW110581 0.488 6.531 3.532 -0.0562 -0.3305 -1.2368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10584 3003SOL HW210582 0.547 6.381 3.510 -0.2939 -0.6896 0.4323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10585 3004SOL OW10583 1.490 5.656 1.851 0.4228 -0.1393 0.4184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10586 3004SOL HW110584 1.452 5.566 1.873 -0.6693 0.4510 1.0171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10587 3004SOL HW210585 1.485 5.715 1.931 1.1637 0.4591 0.0384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10588 3005SOL OW10586 1.402 6.250 1.751 -0.1497 0.3116 0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10589 3005SOL HW110587 1.366 6.164 1.787 -2.5805 0.8282 -0.9211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10590 3005SOL HW210588 1.407 6.245 1.651 0.1543 1.1486 0.0338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10591 3006SOL OW10589 1.029 6.916 2.677 -0.2520 0.0747 0.1244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10592 3006SOL HW110590 0.949 6.870 2.638 -1.1745 0.7264 1.1792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10593 3006SOL HW210591 1.027 7.013 2.654 -0.7742 0.4599 1.6618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10594 3007SOL OW10592 0.288 6.253 2.569 0.4037 -0.2165 -0.2372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10595 3007SOL HW110593 0.371 6.274 2.517 -0.8249 0.4586 -2.0196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10596 3007SOL HW210594 0.289 6.158 2.598 1.3605 -0.4697 -1.0668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10597 3008SOL OW10595 0.297 5.962 2.686 -0.2152 -0.0473 0.2002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10598 3008SOL HW110596 0.246 5.883 2.721 1.8034 -1.5281 -0.0335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10599 3008SOL HW210597 0.348 5.935 2.605 -0.4942 1.8902 -0.6837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10600 3009SOL OW10598 0.940 5.788 3.568 -0.5110 0.1812 0.1482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10601 3009SOL HW110599 1.005 5.860 3.593 -0.3208 -0.4250 1.4663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10602 3009SOL HW210600 0.933 5.721 3.642 -0.2152 -1.5228 -1.2838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10603 3010SOL OW10601 1.246 5.870 3.341 0.3067 -0.6436 0.0598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10604 3010SOL HW110602 1.147 5.863 3.333 0.2830 -0.3459 0.1055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10605 3010SOL HW210603 1.271 5.953 3.390 0.6159 -0.1437 -0.9099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10606 3011SOL OW10604 0.231 6.621 1.879 -1.0680 0.0602 -0.2674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10607 3011SOL HW110605 0.225 6.568 1.963 -0.3532 -1.6988 -1.2816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10608 3011SOL HW210606 0.177 6.576 1.807 0.1205 0.2996 -1.3383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10609 3012SOL OW10607 0.331 7.085 2.791 -0.4092 0.1338 0.2084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10610 3012SOL HW110608 0.246 7.048 2.753 -0.2449 -0.2432 0.2086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10611 3012SOL HW210609 0.405 7.071 2.725 -0.4427 0.9149 -0.0091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10612 3013SOL OW10610 0.526 7.039 2.602 0.2782 -0.0676 -0.3579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10613 3013SOL HW110611 0.601 7.047 2.668 0.3503 0.7533 -0.5352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10614 3013SOL HW210612 0.538 6.955 2.549 -0.9815 -2.0089 2.1547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10615 3014SOL OW10613 1.102 6.271 3.222 -0.2457 1.0244 0.3249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10616 3014SOL HW110614 1.148 6.299 3.306 1.9250 -1.9170 0.2400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10617 3014SOL HW210615 1.021 6.217 3.244 0.1387 0.5328 0.5477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10618 3015SOL OW10616 7.233 6.193 3.143 0.1596 -0.2074 -0.0203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10619 3015SOL HW110617 7.211 6.168 3.048 1.8030 1.4881 -0.9191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10620 3015SOL HW210618 7.302 6.131 3.178 -0.8300 -1.1576 0.2767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10621 3016SOL OW10619 0.256 6.033 3.507 -0.0939 0.3561 -0.1843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10622 3016SOL HW110620 0.252 6.013 3.409 2.1046 1.1826 -0.5083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10623 3016SOL HW210621 0.244 6.132 3.521 -0.1316 0.2786 0.3471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10624 3017SOL OW10622 1.522 6.711 3.741 -0.1416 0.9163 0.4736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10625 3017SOL HW110623 1.544 6.628 3.690 -2.3058 0.5197 0.1067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10626 3017SOL HW210624 1.516 6.789 3.679 -0.3520 0.9013 0.4728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10627 3018SOL OW10625 0.734 6.158 2.230 -0.1659 -0.6688 0.0272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10628 3018SOL HW110626 0.754 6.076 2.176 -0.4625 -0.1747 -0.8532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10629 3018SOL HW210627 0.787 6.235 2.194 -0.5818 -0.2662 0.2737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10630 3019SOL OW10628 1.622 6.206 2.854 0.4082 0.6696 -0.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10631 3019SOL HW110629 1.682 6.159 2.919 2.1889 0.2227 -1.8647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10632 3019SOL HW210630 1.634 6.305 2.864 2.4642 0.5998 -1.1251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10633 3020SOL OW10631 0.451 6.949 3.386 0.2833 0.0873 0.3342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10634 3020SOL HW110632 0.367 7.003 3.377 -0.1952 -0.8469 -1.3031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10635 3020SOL HW210633 0.494 6.968 3.474 0.2201 3.2238 -0.2135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10636 3021SOL OW10634 0.651 5.937 2.878 0.2035 -0.0445 -1.1965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10637 3021SOL HW110635 0.634 5.858 2.819 -0.0290 0.3948 -1.7199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10638 3021SOL HW210636 0.720 5.996 2.837 1.8195 -0.9474 0.1115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10639 3022SOL OW10637 0.568 5.970 1.875 -0.4614 0.0189 -0.2141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10640 3022SOL HW110638 0.588 6.007 1.784 -0.7040 -1.0285 -0.7115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10641 3022SOL HW210639 0.486 6.014 1.912 0.6215 1.6987 0.2618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10642 3023SOL OW10640 0.242 6.718 3.212 -0.0988 -0.5544 0.3408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10643 3023SOL HW110641 0.217 6.665 3.293 -0.3347 0.6834 1.1029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10644 3023SOL HW210642 0.289 6.659 3.147 0.5448 -1.4625 1.5890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10645 3024SOL OW10643 1.291 6.643 3.064 -0.3177 0.5433 0.4055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10646 3024SOL HW110644 1.228 6.568 3.047 0.1892 -0.2201 1.7524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10647 3024SOL HW210645 1.253 6.728 3.027 -0.4846 -0.4995 -1.9826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10648 3025SOL OW10646 1.676 6.285 1.863 -0.0498 0.4606 -0.6426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10649 3025SOL HW110647 1.709 6.210 1.920 1.7804 -0.0104 -2.2048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10650 3025SOL HW210648 1.576 6.280 1.856 0.0956 -3.7184 -3.0498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10651 3026SOL OW10649 1.731 7.177 2.946 -0.3553 -0.7632 -0.1854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10652 3026SOL HW110650 1.745 7.250 2.879 -0.6924 -0.6728 -0.1500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10653 3026SOL HW210651 1.646 7.194 2.996 -0.4172 -1.1634 -0.1562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10654 3027SOL OW10652 1.422 7.233 2.836 0.5109 0.4133 -0.0017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10655 3027SOL HW110653 1.334 7.280 2.838 0.9859 1.3378 -0.1883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10656 3027SOL HW210654 1.409 7.136 2.859 -0.4577 0.6742 0.5901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10657 3028SOL OW10655 0.026 6.845 2.996 0.0516 -0.2857 0.0891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10658 3028SOL HW110656 0.072 6.920 3.045 -0.1358 -0.3973 0.4400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10659 3028SOL HW210657 0.055 6.758 3.034 0.3780 -0.4037 -0.4144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10660 3029SOL OW10658 1.758 5.775 2.096 -0.2314 0.4542 -0.2860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10661 3029SOL HW110659 1.827 5.741 2.032 2.3357 0.0675 2.4940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10662 3029SOL HW210660 1.713 5.697 2.139 -1.0344 0.7092 -0.6439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10663 3030SOL OW10661 1.488 7.168 2.261 -0.0097 0.4303 -0.7037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10664 3030SOL HW110662 1.588 7.162 2.261 0.0799 1.5143 0.6352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10665 3030SOL HW210663 1.461 7.264 2.262 -1.0441 0.1395 0.6129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10666 3031SOL OW10664 0.167 7.122 3.456 0.2531 -0.2562 -0.1645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10667 3031SOL HW110665 0.097 7.053 3.475 -1.2621 0.7348 -1.8759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10668 3031SOL HW210666 0.239 7.116 3.526 -0.7233 -2.3396 0.7550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10669 3032SOL OW10667 1.460 6.312 2.374 0.0341 -0.2611 0.5372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10670 3032SOL HW110668 1.503 6.349 2.456 0.1212 0.9831 -0.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10671 3032SOL HW210669 1.452 6.383 2.305 -1.4531 -0.8911 0.0161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10672 3033SOL OW10670 0.833 6.863 3.325 -0.3958 0.2603 0.0134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10673 3033SOL HW110671 0.746 6.890 3.283 0.3108 -0.0273 -1.7475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10674 3033SOL HW210672 0.816 6.791 3.392 -1.6973 1.4698 1.0319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10675 3034SOL OW10673 0.822 6.892 1.808 -0.3904 0.0819 -0.0170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10676 3034SOL HW110674 0.768 6.849 1.880 -0.0078 -1.1138 -0.4247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10677 3034SOL HW210675 0.770 6.893 1.723 0.3947 -1.6453 -0.5752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10678 3035SOL OW10676 1.847 5.875 2.868 0.1758 -0.4954 -0.4210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10679 3035SOL HW110677 1.842 5.787 2.822 -1.5377 0.0535 -1.3794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10680 3035SOL HW210678 1.840 5.862 2.967 -0.6893 -1.3837 -0.5907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10681 3036SOL OW10679 0.144 5.723 2.533 -0.0695 -0.0606 -0.1569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10682 3036SOL HW110680 0.156 5.626 2.509 -0.3380 -0.7076 2.1215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10683 3036SOL HW210681 0.138 5.732 2.632 1.3490 2.4808 -0.2312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10684 3037SOL OW10682 1.011 0.026 1.983 0.0524 0.3079 0.2044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10685 3037SOL HW110683 1.003 -0.073 1.971 -0.3783 0.4498 -0.6661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10686 3037SOL HW210684 1.030 0.069 1.895 0.7676 0.9592 0.6616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10687 3038SOL OW10685 0.845 6.533 3.164 0.0497 0.4307 -0.2101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10688 3038SOL HW110686 0.918 6.528 3.096 -1.1481 3.4739 -1.9284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10689 3038SOL HW210687 0.831 6.629 3.191 -1.2439 -0.4053 2.4550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10690 3039SOL OW10688 1.008 6.330 1.872 0.0990 0.1455 -0.1067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10691 3039SOL HW110689 1.083 6.370 1.819 0.1112 0.0705 -0.1454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10692 3039SOL HW210690 1.044 6.290 1.956 0.2350 -0.7774 -0.6022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10693 3040SOL OW10691 0.572 6.729 3.026 -0.3022 -0.5877 -0.4639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10694 3040SOL HW110692 0.581 6.762 2.932 -3.0686 0.1128 -0.5616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10695 3040SOL HW210693 0.497 6.663 3.031 -1.3033 0.6342 1.5463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10696 3041SOL OW10694 1.669 6.798 3.249 0.4941 -0.2729 -0.1879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10697 3041SOL HW110695 1.719 6.780 3.333 -0.1287 2.4994 0.8797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10698 3041SOL HW210696 1.574 6.820 3.270 -0.4790 -2.4152 -1.9316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10699 3042SOL OW10697 1.209 6.551 2.351 1.1625 -0.5037 -0.1979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10700 3042SOL HW110698 1.140 6.591 2.291 1.5856 0.3117 -0.1550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10701 3042SOL HW210699 1.292 6.532 2.298 2.0937 1.6403 0.3720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10702 3043SOL OW10700 1.113 5.662 2.670 -0.6171 -0.3148 -0.1726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10703 3043SOL HW110701 1.016 5.678 2.649 -0.6813 1.2404 1.1488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10704 3043SOL HW210702 1.121 5.580 2.727 -1.1661 -0.3605 -0.1510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10705 3044SOL OW10703 0.682 7.043 2.236 -0.5874 0.1749 0.4562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10706 3044SOL HW110704 0.654 7.053 2.140 0.0597 -0.4314 0.1951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10707 3044SOL HW210705 0.682 7.133 2.280 -1.7956 0.3370 0.1545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10708 3045SOL OW10706 1.738 6.121 3.122 0.1999 -0.4110 -0.2098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10709 3045SOL HW110707 1.642 6.121 3.151 0.2273 0.1322 -0.1048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10710 3045SOL HW210708 1.776 6.213 3.131 1.1677 -0.9163 1.1817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10711 3046SOL OW10709 0.328 6.853 1.951 -0.1556 0.4962 0.7665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10712 3046SOL HW110710 0.311 6.763 1.911 1.9496 0.3417 0.0931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10713 3046SOL HW210711 0.270 6.866 2.031 -1.1072 -1.0863 0.3738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10714 3047SOL OW10712 0.115 6.555 3.439 0.7702 0.3314 0.2393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10715 3047SOL HW110713 0.030 6.527 3.395 0.1360 0.4898 1.3384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10716 3047SOL HW210714 0.095 6.609 3.521 1.9385 0.8062 0.2400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10717 3048SOL OW10715 0.758 5.722 3.042 0.5781 -0.2645 -0.3098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10718 3048SOL HW110716 0.848 5.724 2.999 0.2019 0.8707 -1.0989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10719 3048SOL HW210717 0.714 5.812 3.031 -1.3269 -1.2748 -1.4481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10720 3049SOL OW10718 7.135 5.732 1.564 0.6346 0.1513 -0.4735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10721 3049SOL HW110719 7.045 5.714 1.605 0.4275 0.8417 -0.6137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10722 3049SOL HW210720 7.136 5.824 1.526 1.2011 -0.0779 -1.0271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10723 3050SOL OW10721 1.389 6.639 3.350 1.0125 0.2450 -0.0143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10724 3050SOL HW110722 1.336 6.654 3.267 -1.1738 2.1024 1.5923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10725 3050SOL HW210723 1.461 6.572 3.332 0.9964 1.0077 -3.4951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10726 3051SOL OW10724 0.033 5.577 2.081 0.5636 -0.7900 -0.3678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10727 3051SOL HW110725 0.075 5.563 2.171 -0.0713 0.6436 0.1913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10728 3051SOL HW210726 0.103 5.578 2.011 1.1687 -1.0700 0.2261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10729 3052SOL OW10727 1.260 6.894 2.055 -0.0244 -0.0255 -0.2940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10730 3052SOL HW110728 1.178 6.935 2.014 -0.0729 2.4659 2.0251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10731 3052SOL HW210729 1.251 6.892 2.154 2.1696 -1.0408 -0.0486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10732 3053SOL OW10730 0.693 6.320 3.076 -0.4703 -0.4546 0.1297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10733 3053SOL HW110731 0.752 6.401 3.070 0.3614 -1.1406 -1.7040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10734 3053SOL HW210732 0.747 6.243 3.110 -0.3770 -0.9903 -1.1851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10735 3054SOL OW10733 1.244 0.002 2.506 -0.2231 0.2117 -0.3630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10736 3054SOL HW110734 1.240 0.035 2.412 -0.2881 -2.0145 -1.2217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10737 3054SOL HW210735 1.325 -0.057 2.517 1.1370 2.3082 1.6937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10738 3055SOL OW10736 0.732 6.063 3.396 0.4756 -0.1611 0.3576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10739 3055SOL HW110737 0.760 6.135 3.459 0.9312 -0.2598 0.2680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10740 3055SOL HW210738 0.673 5.998 3.445 -1.8545 1.4699 -0.1065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10741 3056SOL OW10739 1.606 6.923 3.588 -0.0926 0.6843 0.7013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10742 3056SOL HW110740 1.604 7.020 3.562 -1.1080 0.9731 1.7436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10743 3056SOL HW210741 1.698 6.887 3.575 -0.1918 1.1410 -1.9231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10744 3057SOL OW10742 1.441 6.359 3.056 0.1137 0.2765 0.3756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10745 3057SOL HW110743 1.518 6.386 2.997 -1.4211 4.5619 -0.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10746 3057SOL HW210744 1.363 6.334 2.999 0.1274 -0.5986 0.7328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10747 3058SOL OW10745 1.146 5.818 2.151 0.3713 0.1153 0.0814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10748 3058SOL HW110746 1.215 5.759 2.109 -0.8549 -2.0828 0.9557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10749 3058SOL HW210747 1.180 5.852 2.238 0.2416 -1.3576 0.7447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10750 3059SOL OW10748 0.503 6.292 2.415 0.1766 -0.1526 -0.1547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10751 3059SOL HW110749 0.522 6.385 2.382 -0.8653 -0.1130 -0.6750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10752 3059SOL HW210750 0.494 6.230 2.338 -0.4292 -0.4288 0.1307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10753 3060SOL OW10751 1.857 5.928 3.409 -0.1716 -0.2267 -0.3087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10754 3060SOL HW110752 1.871 5.846 3.354 -0.0759 0.2782 -1.0629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10755 3060SOL HW210753 1.763 5.930 3.443 0.6444 -2.1705 2.3189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10756 3061SOL OW10754 1.583 6.456 3.274 0.0841 -0.0419 -0.7223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10757 3061SOL HW110755 1.674 6.417 3.258 0.0053 -1.5310 1.8128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10758 3061SOL HW210756 1.517 6.415 3.211 0.7117 -1.1301 -0.6901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10759 3062SOL OW10757 0.986 7.007 1.976 0.4051 -0.1691 0.4595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10760 3062SOL HW110758 0.967 6.984 2.072 1.5196 -1.3947 0.4201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10761 3062SOL HW210759 0.911 6.975 1.919 0.9053 -1.8182 0.6681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10762 3063SOL OW10760 0.841 6.495 2.544 -0.1632 -0.1539 0.6580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10763 3063SOL HW110761 0.766 6.440 2.581 -1.4762 2.5079 2.2672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10764 3063SOL HW210762 0.839 6.586 2.586 3.0367 0.5460 -0.4435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10765 3064SOL OW10763 1.241 6.447 1.782 0.0423 -0.2597 -0.2062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10766 3064SOL HW110764 1.244 6.518 1.712 1.8089 -0.4876 -0.4188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10767 3064SOL HW210765 1.304 6.373 1.756 -1.7527 -1.9389 -0.0104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10768 3065SOL OW10766 1.877 7.214 2.615 -0.3906 -0.5313 0.0978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10769 3065SOL HW110767 1.825 7.128 2.611 1.6065 -1.7643 -1.6563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10770 3065SOL HW210768 1.963 7.197 2.663 0.2854 0.3241 -0.7852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10771 3066SOL OW10769 0.535 6.718 3.742 0.5663 -0.0219 -0.0957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10772 3066SOL HW110770 0.445 6.676 3.748 0.5764 -0.0918 -0.4537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10773 3066SOL HW210771 0.605 6.647 3.741 0.7236 0.0536 1.8093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10774 3067SOL OW10772 0.150 6.712 2.332 -0.1404 0.4044 -0.3121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10775 3067SOL HW110773 0.198 6.674 2.411 0.5652 -0.6717 -1.2251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10776 3067SOL HW210774 0.168 6.656 2.252 0.8274 2.6076 -1.7221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10777 3068SOL OW10775 0.889 7.124 3.452 -0.3726 0.1101 -0.2374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10778 3068SOL HW110776 0.895 7.041 3.396 -1.6340 0.0838 -0.3570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10779 3068SOL HW210777 0.956 7.118 3.527 -1.9452 -2.0823 1.1183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10780 3069SOL OW10778 1.797 5.836 3.142 0.2058 0.1391 -0.3962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10781 3069SOL HW110779 1.718 5.783 3.173 0.3749 0.4901 0.6836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10782 3069SOL HW210780 1.784 5.931 3.168 0.3545 0.4639 -1.4635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10783 3070SOL OW10781 0.315 5.853 2.175 -0.3135 -0.2579 -0.4084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10784 3070SOL HW110782 0.392 5.816 2.123 -0.3060 0.1435 -0.6824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10785 3070SOL HW210783 0.251 5.779 2.195 -0.3156 -0.4216 -0.9912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10786 3071SOL OW10784 1.640 7.029 2.671 -0.4551 0.2761 -0.4169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10787 3071SOL HW110785 1.561 7.040 2.612 0.0219 2.3556 -0.7156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10788 3071SOL HW210786 1.618 7.063 2.763 0.1995 1.2258 -0.6046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10789 3072SOL OW10787 0.404 6.085 2.925 0.3634 -0.2578 0.4572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10790 3072SOL HW110788 0.489 6.032 2.928 -0.0473 -1.0765 -1.1953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10791 3072SOL HW210789 0.339 6.040 2.864 -2.0066 -0.6718 3.0837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10792 3073SOL OW10790 1.004 7.192 2.614 -0.2132 -0.8967 -0.1752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10793 3073SOL HW110791 1.094 7.192 2.569 -0.5467 -2.1995 -0.8983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10794 3073SOL HW210792 0.937 7.237 2.555 -0.0433 0.1336 0.3928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10795 3074SOL OW10793 1.469 5.849 2.843 -0.0052 0.6876 -0.5107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10796 3074SOL HW110794 1.506 5.759 2.823 -2.1343 -0.0839 -1.1708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10797 3074SOL HW210795 1.455 5.859 2.941 3.3389 1.6402 0.0156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10798 3075SOL OW10796 1.284 5.565 2.945 0.2580 -0.2339 0.3989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10799 3075SOL HW110797 1.225 5.507 2.889 0.3119 -0.1908 0.2969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10800 3075SOL HW210798 1.374 5.573 2.903 0.1413 0.2110 0.2251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10801 3076SOL OW10799 0.920 6.886 2.234 -0.1828 0.1298 -0.7122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10802 3076SOL HW110800 0.901 6.798 2.278 -0.2349 0.4141 -0.1558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10803 3076SOL HW210801 0.838 6.943 2.238 -0.2623 0.0698 -1.4017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10804 3077SOL OW10802 0.417 7.100 3.050 -0.6851 -0.4884 0.4457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10805 3077SOL HW110803 0.501 7.054 3.077 -0.9733 -1.2009 0.1549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10806 3077SOL HW210804 0.398 7.080 2.954 -2.6545 -2.6978 1.1939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10807 3078SOL OW10805 1.400 5.396 1.891 0.1201 -0.4528 0.8372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10808 3078SOL HW110806 1.381 5.345 1.807 -1.5071 0.1579 0.7987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10809 3078SOL HW210807 1.317 5.401 1.946 0.7925 0.3960 1.8123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10810 3079SOL OW10808 1.252 5.933 2.376 0.3615 -0.1860 -0.4700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10811 3079SOL HW110809 1.248 6.033 2.383 -0.8115 -0.2295 -0.2323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10812 3079SOL HW210810 1.336 5.900 2.418 0.0524 0.6034 0.8515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10813 3080SOL OW10811 1.645 5.824 2.624 -0.1174 -0.1179 0.5386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10814 3080SOL HW110812 1.605 5.878 2.699 0.0341 0.0529 0.4983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10815 3080SOL HW210813 1.641 5.877 2.539 -1.5391 -0.8408 0.1250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10816 3081SOL OW10814 0.101 6.103 2.193 0.2484 -0.4125 0.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10817 3081SOL HW110815 0.075 6.045 2.270 3.1759 -0.0516 1.4545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10818 3081SOL HW210816 0.109 6.047 2.110 -0.4462 -1.2971 0.5671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10819 3082SOL OW10817 0.143 6.231 3.785 -0.3964 0.9608 0.5498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10820 3082SOL HW110818 0.080 6.304 3.757 -1.6704 -0.5538 -0.7828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10821 3082SOL HW210819 0.236 6.256 3.760 -0.9417 1.6997 -0.9024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10822 3083SOL OW10820 0.169 5.699 4.574 0.3195 0.0123 -0.0486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10823 3083SOL HW110821 0.228 5.660 4.644 0.7435 -0.6930 -0.7688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10824 3083SOL HW210822 0.090 5.639 4.560 0.3977 -0.0150 -0.3829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10825 3084SOL OW10823 7.193 6.003 4.292 -0.3076 -0.2363 -0.2739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10826 3084SOL HW110824 7.105 5.980 4.333 -0.8030 2.1270 0.1592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10827 3084SOL HW210825 7.224 6.092 4.327 0.1186 1.0988 -3.6105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10828 3085SOL OW10826 0.428 6.719 4.971 0.1592 0.4559 0.2192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10829 3085SOL HW110827 0.394 6.649 5.035 1.7625 0.3181 0.9509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10830 3085SOL HW210828 0.467 6.795 5.022 2.9493 -0.3756 -0.5049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10831 3086SOL OW10829 1.420 7.158 4.476 -0.0815 0.0031 -0.0994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10832 3086SOL HW110830 1.378 7.073 4.507 0.9463 -0.5717 -0.2145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10833 3086SOL HW210831 1.408 7.167 4.377 -0.3055 0.0632 -0.0676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10834 3087SOL OW10832 0.904 6.459 4.141 0.1569 -0.4896 -0.7409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10835 3087SOL HW110833 0.978 6.526 4.149 -0.3023 -0.0055 -0.5371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10836 3087SOL HW210834 0.858 6.448 4.229 0.3887 -1.2629 -0.7091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10837 3088SOL OW10835 1.814 6.373 3.849 -0.3516 0.9130 -0.4394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10838 3088SOL HW110836 1.734 6.315 3.867 0.3589 -0.0455 -0.3258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10839 3088SOL HW210837 1.795 6.430 3.769 -1.2588 0.9137 -0.2420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10840 3089SOL OW10838 0.664 6.598 4.927 0.1936 0.2239 0.1100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10841 3089SOL HW110839 0.577 6.646 4.932 0.2975 0.3042 2.9925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10842 3089SOL HW210840 0.739 6.663 4.939 0.4639 -0.2534 1.1387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10843 3090SOL OW10841 0.989 6.152 5.253 -0.1262 -0.4031 0.2751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10844 3090SOL HW110842 0.963 6.227 5.314 -0.9386 0.1283 -0.7097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10845 3090SOL HW210843 1.065 6.180 5.195 0.6699 -0.9214 1.0408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10846 3091SOL OW10844 0.773 6.505 4.400 0.2974 -0.1396 0.2580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10847 3091SOL HW110845 0.795 6.511 4.497 -0.2835 -1.0277 0.4571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10848 3091SOL HW210846 0.674 6.510 4.388 0.4437 2.0159 -0.4743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10849 3092SOL OW10847 0.803 6.561 5.611 0.3697 -0.5607 -0.6170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10850 3092SOL HW110848 0.765 6.529 5.698 1.3248 1.1170 0.4697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10851 3092SOL HW210849 0.735 6.619 5.565 0.4842 -0.0502 -0.1508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10852 3093SOL OW10850 0.401 6.902 4.554 -0.4114 -0.1203 -0.0746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10853 3093SOL HW110851 0.461 6.835 4.598 -1.1487 -0.9366 -0.2891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10854 3093SOL HW210852 0.435 6.923 4.463 -0.5408 -0.7216 -0.2669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10855 3094SOL OW10853 1.444 7.065 5.059 -0.0709 1.0293 0.2899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10856 3094SOL HW110854 1.481 6.991 5.116 0.8783 3.0015 2.3674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10857 3094SOL HW210855 1.368 7.109 5.107 0.2527 2.2625 -0.2896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10858 3095SOL OW10856 0.573 5.684 4.898 0.2287 0.3361 -0.1568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10859 3095SOL HW110857 0.669 5.661 4.913 -0.1647 -0.9170 0.6134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10860 3095SOL HW210858 0.537 5.734 4.977 -0.0910 -0.3894 0.1699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10861 3096SOL OW10859 1.580 6.115 4.340 -0.1807 0.5930 0.6232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10862 3096SOL HW110860 1.532 6.148 4.258 -0.4192 0.2167 0.6101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10863 3096SOL HW210861 1.529 6.141 4.422 -1.1627 -0.9856 0.5629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10864 3097SOL OW10862 1.159 6.836 5.279 -0.2512 -0.6612 0.4204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10865 3097SOL HW110863 1.226 6.908 5.296 -0.5305 -0.3739 0.3183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10866 3097SOL HW210864 1.070 6.865 5.312 0.0304 -1.8313 2.3996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10867 3098SOL OW10865 0.252 7.117 4.017 -0.4032 -0.2153 0.1774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10868 3098SOL HW110866 0.345 7.149 4.034 0.1117 -0.7666 -1.4611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10869 3098SOL HW210867 0.203 7.186 3.962 -1.2128 0.3802 1.5784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10870 3099SOL OW10868 0.373 6.499 4.515 -0.4071 0.3517 0.2989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10871 3099SOL HW110869 0.289 6.548 4.537 1.3743 1.7624 5.2374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10872 3099SOL HW210870 0.448 6.564 4.505 0.5921 -1.0028 -1.9088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10873 3100SOL OW10871 0.750 6.565 3.779 -0.5250 0.3271 0.1658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10874 3100SOL HW110872 0.848 6.542 3.780 -0.5841 0.0498 0.9647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10875 3100SOL HW210873 0.721 6.588 3.872 -1.9927 -2.9897 0.6709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10876 3101SOL OW10874 1.557 5.770 4.913 0.1425 0.2728 -0.2261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10877 3101SOL HW110875 1.462 5.788 4.889 -0.3565 -0.5067 1.0309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10878 3101SOL HW210876 1.565 5.760 5.013 1.2967 -1.0204 -0.4148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10879 3102SOL OW10877 0.073 6.384 4.167 0.1238 0.1572 -0.5884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10880 3102SOL HW110878 0.052 6.370 4.263 -0.3810 -0.6117 -0.7989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10881 3102SOL HW210879 0.012 6.452 4.128 -0.4933 -0.4308 -0.6547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10882 3103SOL OW10880 7.221 6.922 3.545 0.3273 -0.2092 -0.3782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10883 3103SOL HW110881 7.220 6.871 3.459 1.8493 -0.9560 0.0157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10884 3103SOL HW210882 7.246 6.861 3.620 1.9642 1.0315 0.1390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10885 3104SOL OW10883 1.539 6.542 4.313 0.0927 -0.1283 -0.1060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10886 3104SOL HW110884 1.611 6.474 4.300 1.3905 1.2348 -0.3815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10887 3104SOL HW210885 1.559 6.622 4.257 -1.3983 0.4867 0.2017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10888 3105SOL OW10886 1.655 6.744 4.166 0.5545 0.8678 0.3059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10889 3105SOL HW110887 1.754 6.732 4.153 0.5131 -0.1837 0.8804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10890 3105SOL HW210888 1.639 6.819 4.231 1.0003 0.5895 0.7442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10891 3106SOL OW10889 0.159 6.319 5.393 0.4115 0.1913 0.3697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10892 3106SOL HW110890 0.229 6.248 5.399 0.6763 0.4714 0.6221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10893 3106SOL HW210891 0.069 6.276 5.388 0.5723 -0.1638 0.4578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10894 3107SOL OW10892 0.768 6.799 4.352 0.1094 0.0682 0.3170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10895 3107SOL HW110893 0.805 6.711 4.380 0.9106 0.4343 0.4425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10896 3107SOL HW210894 0.843 6.864 4.339 -0.4804 0.7749 0.3859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10897 3108SOL OW10895 1.401 6.512 4.993 0.3078 0.4131 -0.0141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10898 3108SOL HW110896 1.495 6.527 4.962 0.5659 -0.0629 0.5128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10899 3108SOL HW210897 1.353 6.599 4.998 1.4642 1.0084 2.0519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10900 3109SOL OW10898 0.771 5.695 4.113 0.3913 0.5034 -0.1072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10901 3109SOL HW110899 0.805 5.770 4.057 -0.3685 0.8280 -0.1519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10902 3109SOL HW210900 0.671 5.703 4.123 0.6883 1.7207 3.0541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10903 3110SOL OW10901 0.399 6.481 5.127 -0.3999 0.0452 0.2966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10904 3110SOL HW110902 0.353 6.397 5.098 -1.5003 0.6767 0.1450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10905 3110SOL HW210903 0.387 6.493 5.225 -0.8464 0.3612 0.2102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10906 3111SOL OW10904 1.437 6.788 3.990 0.3510 -0.6366 0.3364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10907 3111SOL HW110905 1.436 6.731 3.908 -0.1181 0.9219 -0.8099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10908 3111SOL HW210906 1.522 6.775 4.039 0.3539 -2.1132 -0.0182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10909 3112SOL OW10907 0.277 5.670 5.636 -0.1489 0.2703 0.6871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10910 3112SOL HW110908 0.302 5.767 5.632 -1.7060 0.6603 -2.2893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10911 3112SOL HW210909 0.178 5.661 5.630 0.0203 -1.5509 0.2700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10912 3113SOL OW10910 1.285 6.946 4.580 -0.4897 0.3244 -0.5066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10913 3113SOL HW110911 1.186 6.958 4.580 -1.0409 -2.6077 2.8561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10914 3113SOL HW210912 1.308 6.853 4.550 0.4209 -1.5750 4.9458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10915 3114SOL OW10913 0.407 6.285 3.751 0.8794 0.1197 -0.5621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10916 3114SOL HW110914 0.444 6.350 3.685 -2.3915 2.3121 -0.4908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10917 3114SOL HW210915 0.388 6.332 3.838 -2.1058 -0.6507 -0.6815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10918 3115SOL OW10916 1.287 5.900 4.560 -0.1089 -0.0684 -0.2107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10919 3115SOL HW110917 1.224 5.857 4.625 0.1653 -1.0141 -0.5478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10920 3115SOL HW210918 1.237 5.965 4.502 -0.7981 -0.8414 -0.5039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10921 3116SOL OW10919 0.765 5.988 4.975 0.2746 -0.3119 -0.1864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10922 3116SOL HW110920 0.782 5.891 4.993 -0.6150 -0.3380 0.6170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10923 3116SOL HW210921 0.706 5.997 4.895 0.6781 -0.4110 -0.4976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10924 3117SOL OW10922 1.385 6.044 5.342 0.4700 -0.5801 -0.0431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10925 3117SOL HW110923 1.402 6.049 5.440 1.0095 -0.6155 -0.1287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10926 3117SOL HW210924 1.469 6.015 5.295 -0.4875 -3.3598 -0.2602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10927 3118SOL OW10925 1.088 6.312 4.911 0.5513 -0.0383 -0.5729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10928 3118SOL HW110926 1.130 6.325 5.001 -1.0924 0.0569 0.2128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10929 3118SOL HW210927 1.088 6.400 4.862 -2.1144 0.9534 0.9863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10930 3119SOL OW10928 1.065 5.864 4.741 0.1538 -0.2476 -0.1119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10931 3119SOL HW110929 1.027 5.955 4.755 0.5807 0.3276 -2.2798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10932 3119SOL HW210930 1.009 5.815 4.674 -0.2750 -1.7576 1.2869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10933 3120SOL OW10931 0.956 6.312 3.916 0.1212 0.4291 -0.1680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10934 3120SOL HW110932 0.951 6.347 4.010 0.1875 1.5680 -0.5674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10935 3120SOL HW210933 0.864 6.290 3.884 0.2837 -2.6804 1.0864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10936 3121SOL OW10934 0.063 6.328 4.456 -0.1164 -0.6608 0.1883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10937 3121SOL HW110935 0.141 6.266 4.459 0.1909 -0.2443 1.1682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10938 3121SOL HW210936 0.092 6.420 4.484 -0.5662 -0.0536 -1.2207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10939 3122SOL OW10937 0.014 0.115 5.213 0.3967 -0.1540 -0.1550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10940 3122SOL HW110938 -0.033 0.108 5.301 1.6362 -0.9903 0.4608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10941 3122SOL HW210939 -0.034 0.059 5.146 0.8872 -1.5729 0.6481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10942 3123SOL OW10940 0.787 5.950 3.748 0.0051 -0.4960 -0.1848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10943 3123SOL HW110941 0.849 6.001 3.689 -0.4831 1.2227 0.6914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10944 3123SOL HW210942 0.697 5.943 3.705 -0.2004 0.2898 0.0866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10945 3124SOL OW10943 1.796 6.154 5.427 0.0749 -0.1435 0.5015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10946 3124SOL HW110944 1.771 6.246 5.397 2.2844 -0.3418 -2.4650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10947 3124SOL HW210945 1.734 6.088 5.384 1.0046 -0.2177 -0.7779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10948 3125SOL OW10946 1.369 6.710 4.447 0.2423 0.3452 -0.2472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10949 3125SOL HW110947 1.439 6.647 4.412 0.6997 1.5342 -1.5092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10950 3125SOL HW210948 1.302 6.729 4.376 0.2955 1.5448 0.0078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10951 3126SOL OW10949 0.424 5.636 4.395 0.5109 0.0629 0.0832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10952 3126SOL HW110950 0.455 5.613 4.303 1.1260 0.5713 0.1587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10953 3126SOL HW210951 0.359 5.711 4.391 0.1013 -0.2897 0.0200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10954 3127SOL OW10952 0.954 6.978 4.307 -0.1820 -0.0581 0.2520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10955 3127SOL HW110953 1.048 6.978 4.274 -0.6139 -0.5428 -1.0577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10956 3127SOL HW210954 0.913 7.068 4.292 -0.0983 -0.0123 0.3005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10957 3128SOL OW10955 0.330 7.118 4.697 0.0205 -0.2647 -0.2168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10958 3128SOL HW110956 0.362 7.039 4.645 2.2792 -0.0291 0.6792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10959 3128SOL HW210957 0.366 7.202 4.655 0.2752 0.0497 0.6132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10960 3129SOL OW10958 1.699 6.669 4.563 0.1048 -0.0313 -0.4872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10961 3129SOL HW110959 1.630 6.603 4.534 -0.5138 0.4745 -0.1815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10962 3129SOL HW210960 1.675 6.707 4.652 1.7625 -1.2244 0.5055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10963 3130SOL OW10961 0.954 7.237 5.154 0.7195 -0.0765 -1.0298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10964 3130SOL HW110962 1.009 7.228 5.238 -1.7274 -1.4178 0.5351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10965 3130SOL HW210963 0.928 7.333 5.143 0.1794 -0.0363 0.3963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10966 3131SOL OW10964 0.353 6.415 3.987 0.1724 -0.1362 -0.4802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10967 3131SOL HW110965 0.346 6.510 4.016 3.0100 0.2266 -0.7376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10968 3131SOL HW210966 0.322 6.355 4.060 -0.9781 0.9498 -0.0477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10969 3132SOL OW10967 1.367 6.371 4.449 0.2841 0.1218 -0.3243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10970 3132SOL HW110968 1.364 6.330 4.540 -1.1046 0.1950 -0.3166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10971 3132SOL HW210969 1.430 6.449 4.449 0.5140 -0.0585 0.4979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10972 3133SOL OW10970 0.631 6.995 5.330 -0.4159 -0.0102 0.2752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10973 3133SOL HW110971 0.582 6.968 5.248 0.1767 -0.7995 0.1765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10974 3133SOL HW210972 0.574 7.060 5.382 -2.0075 -1.6515 0.6845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10975 3134SOL OW10973 0.228 5.741 5.159 0.2347 0.4939 -0.0656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10976 3134SOL HW110974 0.190 5.756 5.068 0.0734 1.0577 0.0847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10977 3134SOL HW210975 0.219 5.645 5.184 2.0036 -0.0578 -1.3924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10978 3135SOL OW10976 1.770 7.190 4.017 -0.1469 -0.0075 0.7027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10979 3135SOL HW110977 1.681 7.184 4.062 -0.8943 -0.7873 -0.8058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10980 3135SOL HW210978 1.777 7.278 3.969 0.0034 0.1489 1.0212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10981 3136SOL OW10979 1.287 5.708 4.142 0.2596 -0.0423 0.0747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10982 3136SOL HW110980 1.325 5.667 4.059 0.7642 1.4293 -0.4542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10983 3136SOL HW210981 1.342 5.681 4.221 -0.3242 -1.5924 -0.0042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10984 3137SOL OW10982 0.287 6.229 4.192 0.6796 -0.3038 -0.9412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10985 3137SOL HW110983 0.274 6.205 4.288 1.7702 2.3278 -0.0616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10986 3137SOL HW210984 0.200 6.255 4.152 0.5103 0.4411 -0.1033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10987 3138SOL OW10985 1.483 5.742 5.180 0.6288 0.1963 -0.2266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10988 3138SOL HW110986 1.545 5.750 5.258 1.7303 -1.8067 -0.8277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10989 3138SOL HW210987 1.406 5.684 5.206 2.0014 -2.1466 -1.1218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10990 3139SOL OW10988 0.685 5.541 3.579 0.4105 -0.1776 0.5751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10991 3139SOL HW110989 0.732 5.475 3.520 1.6301 0.8402 0.3635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10992 3139SOL HW210990 0.627 5.601 3.524 -0.2739 -0.7092 0.7039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10993 3140SOL OW10991 0.803 5.531 5.423 -0.1167 -0.7416 -0.6963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10994 3140SOL HW110992 0.897 5.564 5.423 0.4296 -2.2332 -1.2657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10995 3140SOL HW210993 0.767 5.533 5.517 0.5664 -0.3860 -0.4370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10996 3141SOL OW10994 0.762 7.040 4.702 -0.6625 1.1132 0.3152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10997 3141SOL HW110995 0.706 6.969 4.660 -0.4200 0.6241 0.8013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10998 3141SOL HW210996 0.851 7.001 4.728 -0.3976 1.6815 0.2691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
10999 3142SOL OW10997 1.395 6.118 4.893 -0.2828 0.5145 0.5859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11000 3142SOL HW110998 1.488 6.128 4.927 -0.3643 0.6352 0.7767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11001 3142SOL HW210999 1.393 6.136 4.795 0.1382 -0.8583 0.3063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11002 3143SOL OW11000 0.636 6.767 4.599 -0.8869 -0.0123 -0.3491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11003 3143SOL HW111001 0.694 6.699 4.643 -0.5188 1.4153 1.4818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11004 3143SOL HW211002 0.683 6.803 4.518 1.5797 2.1312 1.8387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11005 3144SOL OW11003 1.076 5.968 4.370 0.1907 0.2583 -0.3127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11006 3144SOL HW111004 0.990 5.971 4.422 1.0432 0.6127 1.1200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11007 3144SOL HW211005 1.094 5.874 4.341 -0.6406 0.1719 -0.5806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11008 3145SOL OW11006 0.484 5.682 4.132 0.2849 0.1465 0.6074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11009 3145SOL HW111007 0.423 5.639 4.066 -0.0229 -0.1162 1.0562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11010 3145SOL HW211008 0.462 5.780 4.139 1.0374 0.4130 -0.4701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11011 3146SOL OW11009 1.512 7.085 3.853 0.1261 -0.0928 -0.2944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11012 3146SOL HW111010 1.544 6.995 3.882 0.8976 1.0815 2.8165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11013 3146SOL HW211011 1.440 7.116 3.914 -0.0641 1.4654 -1.2605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11014 3147SOL OW11012 0.327 5.562 3.928 -0.4008 -0.0177 -0.1048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11015 3147SOL HW111013 0.229 5.542 3.932 -0.2876 -0.7073 -0.7211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11016 3147SOL HW211014 0.379 5.479 3.946 0.0807 -0.3216 -2.6116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11017 3148SOL OW11015 0.874 5.934 4.010 0.8801 -0.2382 0.1427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11018 3148SOL HW111016 0.834 5.948 3.920 1.2709 0.5310 0.0721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11019 3148SOL HW211017 0.973 5.945 4.004 0.9439 -0.5365 0.6038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11020 3149SOL OW11018 1.240 6.188 5.137 0.1177 -0.3388 -0.6894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11021 3149SOL HW111019 1.279 6.141 5.216 1.3973 2.3171 0.3709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11022 3149SOL HW211020 1.277 6.148 5.053 1.8504 -0.6772 0.1850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11023 3150SOL OW11021 1.123 0.023 4.487 0.0825 0.3268 0.1441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11024 3150SOL HW111022 1.163 0.094 4.429 -0.1081 -0.4471 -0.9807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11025 3150SOL HW211023 1.181 0.008 4.567 1.3751 0.1415 -0.7855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11026 3151SOL OW11024 0.489 6.613 4.247 -0.0353 0.7543 0.1538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11027 3151SOL HW111025 0.504 6.707 4.277 0.5765 1.2259 -1.4797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11028 3151SOL HW211026 0.408 6.609 4.189 -0.4961 0.1166 0.8306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11029 3152SOL OW11027 1.043 6.055 3.631 0.8658 -0.0549 -0.4699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11030 3152SOL HW111028 0.976 6.123 3.600 -0.7120 -0.7842 1.1296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11031 3152SOL HW211029 1.088 6.089 3.714 -0.5809 -1.2240 0.8737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11032 3153SOL OW11030 0.264 6.230 5.035 -0.4932 -0.3065 0.3971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11033 3153SOL HW111031 0.315 6.189 4.960 -0.8053 0.5791 -0.3181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11034 3153SOL HW211032 0.314 6.216 5.121 -0.1057 -1.2734 0.0227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11035 3154SOL OW11033 0.594 5.711 4.568 -0.0608 0.7209 -0.2706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11036 3154SOL HW111034 0.555 5.699 4.659 2.6259 0.4938 0.9371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11037 3154SOL HW211035 0.524 5.690 4.499 -2.2168 1.0254 1.6682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11038 3155SOL OW11036 0.782 5.985 4.266 -0.5478 0.2268 0.0346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11039 3155SOL HW111037 0.708 6.028 4.214 0.2226 1.2014 -0.3159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11040 3155SOL HW211038 0.847 5.944 4.202 -2.1406 -3.1488 0.3763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11041 3156SOL OW11039 0.999 5.701 4.259 -0.2538 0.0502 -0.2740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11042 3156SOL HW111040 1.082 5.709 4.203 -0.8484 -0.8181 -1.3181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11043 3156SOL HW211041 0.919 5.694 4.199 -0.9869 -0.1794 0.7064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11044 3157SOL OW11042 1.364 6.685 4.750 -1.1170 0.3871 0.3982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11045 3157SOL HW111043 1.346 6.696 4.848 2.3637 -2.3027 1.5331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11046 3157SOL HW211044 1.343 6.591 4.723 -1.1152 0.8371 -1.2257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11047 3158SOL OW11045 1.424 6.131 4.592 -0.1480 0.1674 0.3063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11048 3158SOL HW111046 1.390 6.037 4.592 -0.2738 0.1992 -0.8849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11049 3158SOL HW211047 1.516 6.132 4.630 0.7859 -0.8216 -1.7622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11050 3159SOL OW11048 1.942 6.360 4.088 0.3080 -0.2241 -0.0642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11051 3159SOL HW111049 1.874 6.340 4.159 -0.1470 -1.8782 -0.9315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11052 3159SOL HW211050 1.896 6.368 4.000 1.1878 -0.9596 -0.5997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11053 3160SOL OW11051 0.531 6.916 3.952 0.4744 -0.0386 0.0027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11054 3160SOL HW111052 0.490 6.855 4.020 -1.4603 2.3728 1.1442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11055 3160SOL HW211053 0.558 6.863 3.871 -0.5473 -2.4390 1.1503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11056 3161SOL OW11054 1.639 6.954 4.316 0.4719 0.2298 0.0473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11057 3161SOL HW111055 1.633 6.969 4.415 2.5657 0.4135 0.1890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11058 3161SOL HW211056 1.598 7.031 4.268 -1.2416 -0.2049 0.7354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11059 3162SOL OW11057 1.381 6.171 3.725 -0.0690 0.4590 -0.4489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11060 3162SOL HW111058 1.297 6.159 3.777 -0.3332 2.0433 -0.4578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11061 3162SOL HW211059 1.459 6.145 3.781 -0.4274 1.1274 0.3835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11062 3163SOL OW11060 0.502 5.806 3.820 -0.0168 0.3958 -0.0168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11063 3163SOL HW111061 0.553 5.724 3.845 1.6586 1.5712 0.5483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11064 3163SOL HW211062 0.405 5.782 3.809 0.4439 -1.6729 -0.0502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11065 3164SOL OW11063 1.488 6.829 5.204 0.2004 -0.3579 0.4302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11066 3164SOL HW111064 1.560 6.762 5.220 0.0207 -0.4328 0.9411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11067 3164SOL HW211065 1.447 6.856 5.291 -0.2755 -0.1867 0.1588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11068 3165SOL OW11066 0.997 7.008 4.883 0.0211 -0.5657 0.4223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11069 3165SOL HW111067 0.952 7.091 4.916 -0.5338 -0.2182 -1.1110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11070 3165SOL HW211068 1.082 7.032 4.836 -0.2223 -0.8359 -0.1719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11071 3166SOL OW11069 1.777 0.257 5.328 -0.5140 -0.0239 0.0375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11072 3166SOL HW111070 1.802 0.335 5.385 1.2854 -1.1316 0.8302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11073 3166SOL HW211071 1.701 0.283 5.269 1.3640 3.0021 -1.2721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11074 3167SOL OW11072 0.915 6.756 4.951 -0.5287 0.4729 0.0346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11075 3167SOL HW111073 0.877 6.749 5.043 -0.0769 1.9035 0.3532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11076 3167SOL HW211074 0.948 6.849 4.935 4.5286 -0.9277 0.4607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11077 3168SOL OW11075 1.595 6.810 4.777 -0.3594 -0.0545 0.1409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11078 3168SOL HW111076 1.594 6.904 4.812 0.1162 0.0249 -0.0496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11079 3168SOL HW211077 1.504 6.786 4.743 -1.3489 -0.7137 2.9423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11080 3169SOL OW11078 0.951 5.505 4.984 -0.0033 -0.2770 0.8832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11081 3169SOL HW111079 0.931 5.483 4.888 0.8075 -0.7328 0.8174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11082 3169SOL HW211080 1.034 5.561 4.988 0.2310 -0.6570 1.3553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11083 3170SOL OW11081 0.901 6.357 5.405 0.3406 0.5056 0.1309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11084 3170SOL HW111082 0.920 6.417 5.482 0.0866 -1.3179 1.7048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11085 3170SOL HW211083 0.825 6.394 5.351 0.0251 1.4604 1.1890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11086 3171SOL OW11084 0.700 6.601 4.059 -0.4463 -1.1767 -0.5932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11087 3171SOL HW111085 0.632 6.582 4.129 0.5060 -1.4820 0.2841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11088 3171SOL HW211086 0.780 6.541 4.074 -0.0638 -0.9565 -1.6918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11089 3172SOL OW11087 0.629 6.259 4.764 0.1600 -0.0927 -0.2652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11090 3172SOL HW111088 0.683 6.294 4.841 0.1735 -0.2824 -0.1870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11091 3172SOL HW211089 0.625 6.160 4.769 -2.1641 -0.0010 1.0944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11092 3173SOL OW11090 1.316 5.843 4.882 0.1098 -0.0975 0.1439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11093 3173SOL HW111091 1.357 5.934 4.892 2.1812 -0.8887 -0.5801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11094 3173SOL HW211092 1.231 5.851 4.830 0.7268 1.3374 -0.7215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11095 3174SOL OW11093 7.230 7.034 4.909 -0.7340 0.5294 -0.0117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11096 3174SOL HW111094 7.183 7.096 4.972 0.2892 1.9679 -0.6046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11097 3174SOL HW211095 7.324 7.020 4.939 -0.2671 1.1394 -1.0964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11098 3175SOL OW11096 0.274 6.650 4.098 -0.0402 -0.4218 -0.0710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11099 3175SOL HW111097 0.294 6.746 4.118 -0.9237 -0.4275 0.9188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11100 3175SOL HW211098 0.180 6.642 4.064 0.6806 -0.7058 -2.1539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11101 3176SOL OW11099 0.453 5.915 4.387 0.4550 0.2248 -0.3933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11102 3176SOL HW111100 0.413 5.957 4.306 0.1451 0.1963 -0.2577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11103 3176SOL HW211101 0.550 5.899 4.372 0.9000 2.2688 0.0562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11104 3177SOL OW11102 1.242 6.858 4.205 0.2258 -0.4894 0.2855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11105 3177SOL HW111103 1.237 6.953 4.235 -0.4283 -0.2489 -0.5426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11106 3177SOL HW211104 1.298 6.851 4.123 0.1743 -0.7943 0.2738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11107 3178SOL OW11105 1.256 7.063 4.831 0.7970 0.0703 -0.1295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11108 3178SOL HW111106 1.308 7.024 4.906 -1.0852 -1.2324 0.5957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11109 3178SOL HW211107 1.269 7.007 4.748 1.2853 0.3131 -0.2175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11110 3179SOL OW11108 1.457 6.252 4.120 0.1295 0.5321 0.4259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11111 3179SOL HW111109 1.385 6.209 4.175 -0.0093 -3.2062 -2.3542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11112 3179SOL HW211110 1.417 6.324 4.064 -1.4783 -1.2267 -0.7872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11113 3180SOL OW11111 0.356 7.127 4.966 -0.1360 -1.0711 0.2081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11114 3180SOL HW111112 0.329 7.121 4.870 -0.0198 0.3182 0.0718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11115 3180SOL HW211113 0.455 7.115 4.973 -0.2858 -2.4083 0.3068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11116 3181SOL OW11114 0.411 6.174 5.253 -0.3094 0.7071 -0.0350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11117 3181SOL HW111115 0.502 6.213 5.245 -0.7553 1.5565 -1.2836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11118 3181SOL HW211116 0.417 6.075 5.267 0.8821 -0.2125 -5.0475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11119 3182SOL OW11117 1.717 6.390 5.296 0.3496 0.2882 0.1607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11120 3182SOL HW111118 1.637 6.347 5.253 1.2650 -0.3022 -1.0193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11121 3182SOL HW211119 1.704 6.489 5.300 0.5511 0.4843 -2.3250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11122 3183SOL OW11120 1.069 5.616 5.490 0.0645 0.0640 -0.1161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11123 3183SOL HW111121 1.100 5.703 5.451 1.7315 -0.2483 0.4554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11124 3183SOL HW211122 1.080 5.617 5.589 -1.2558 -0.2986 0.0611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11125 3184SOL OW11123 0.464 5.477 5.560 -0.4979 -0.1819 0.0652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11126 3184SOL HW111124 0.428 5.413 5.492 0.9366 0.3054 -1.1936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11127 3184SOL HW211125 0.400 5.553 5.571 0.1497 0.7887 -2.3081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11128 3185SOL OW11126 0.521 6.287 4.526 0.5339 0.6312 0.6018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11129 3185SOL HW111127 0.472 6.374 4.515 -1.0881 -0.3572 -0.3191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11130 3185SOL HW211128 0.547 6.275 4.622 -0.7059 1.3776 1.0575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11131 3186SOL OW11129 1.089 6.492 4.452 -0.3395 -0.1214 0.0174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11132 3186SOL HW111130 1.180 6.475 4.491 -0.7674 -0.4808 0.8999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11133 3186SOL HW211131 1.026 6.421 4.483 -0.9993 0.3104 -0.3133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11134 3187SOL OW11132 1.156 6.132 3.875 -0.0131 0.8955 0.6480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11135 3187SOL HW111133 1.179 6.095 3.965 1.4301 2.2332 0.8689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11136 3187SOL HW211134 1.093 6.209 3.886 0.9393 1.6975 0.6244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11137 3188SOL OW11135 0.335 5.581 4.754 -0.8813 0.0528 0.1616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11138 3188SOL HW111136 0.385 5.632 4.823 -0.5498 -0.7532 0.5285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11139 3188SOL HW211137 0.384 5.497 4.732 -0.6795 0.5451 -1.4786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11140 3189SOL OW11138 7.142 6.759 4.869 -0.2774 -0.1587 0.4006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11141 3189SOL HW111139 7.224 6.702 4.859 -0.2550 -0.2547 1.0769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11142 3189SOL HW211140 7.169 6.854 4.883 -0.3253 0.2852 -2.0457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11143 3190SOL OW11141 0.760 6.109 4.515 0.2916 0.6384 0.2665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11144 3190SOL HW111142 0.766 6.057 4.429 0.3936 -1.9468 1.7159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11145 3190SOL HW211143 0.695 6.184 4.505 -0.1582 0.0269 -1.8771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11146 3191SOL OW11144 1.712 6.603 5.565 -0.3318 0.6069 -0.1005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11147 3191SOL HW111145 1.691 6.553 5.649 0.8127 1.5875 0.8069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11148 3191SOL HW211146 1.666 6.691 5.566 -1.3789 0.1056 -1.1469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11149 3192SOL OW11147 0.067 5.556 4.088 -0.1809 -0.2617 0.2352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11150 3192SOL HW111148 0.056 5.630 4.154 0.0107 -0.7645 0.8453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11151 3192SOL HW211149 0.104 5.476 4.134 -0.6612 -0.8356 -0.3540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11152 3193SOL OW11150 1.626 6.195 3.921 0.1839 -0.0087 -0.2281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11153 3193SOL HW111151 1.697 6.141 3.966 0.3118 -0.1701 -0.6183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11154 3193SOL HW211152 1.553 6.216 3.986 0.8396 0.6054 0.3092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11155 3194SOL OW11153 0.972 6.260 4.585 0.0223 -0.2393 -0.5359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11156 3194SOL HW111154 1.007 6.195 4.652 0.4074 0.2923 -0.2137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11157 3194SOL HW211155 0.891 6.221 4.540 -0.7048 -0.2949 0.7752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11158 3195SOL OW11156 1.113 7.081 5.735 0.4102 0.2973 0.2435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11159 3195SOL HW111157 1.026 7.040 5.762 0.2384 0.0591 -0.6406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11160 3195SOL HW211158 1.172 7.012 5.693 0.2505 0.8490 -0.9432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11161 3196SOL OW11159 1.815 7.112 5.197 0.1649 0.0908 0.4866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11162 3196SOL HW111160 1.893 7.150 5.147 -0.0103 0.4395 0.4753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11163 3196SOL HW211161 1.824 7.013 5.202 -1.1015 -0.2785 -2.5224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11164 3197SOL OW11162 0.263 6.548 5.367 0.2835 0.1961 0.0323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11165 3197SOL HW111163 0.304 6.570 5.456 -0.1659 -2.5160 0.9773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11166 3197SOL HW211164 0.213 6.462 5.373 -3.4875 2.0195 -1.7319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11167 3198SOL OW11165 1.534 5.904 3.767 -0.5128 0.5157 -0.7011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11168 3198SOL HW111166 1.562 5.884 3.861 -1.2237 0.1409 -0.5602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11169 3198SOL HW211167 1.435 5.895 3.760 -0.3453 -0.7112 -1.7800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11170 3199SOL OW11168 1.287 6.436 3.711 0.0426 0.4371 0.9360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11171 3199SOL HW111169 1.335 6.349 3.698 -0.4160 0.1132 1.3501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11172 3199SOL HW211170 1.312 6.474 3.800 1.2503 1.3958 0.2183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11173 3200SOL OW11171 1.025 6.951 4.569 -0.5320 0.3923 -0.3326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11174 3200SOL HW111172 0.971 6.871 4.592 -1.2618 0.1909 -2.5159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11175 3200SOL HW211173 1.009 6.976 4.473 -0.1006 2.9625 0.1743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11176 3201SOL OW11174 0.280 6.164 4.454 -0.0975 -0.3813 0.6220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11177 3201SOL HW111175 0.371 6.199 4.475 -0.0792 0.1215 -0.2526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11178 3201SOL HW211176 0.267 6.075 4.499 0.5736 -0.1568 1.2779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11179 3202SOL OW11177 0.353 5.911 4.621 -0.4711 -0.2994 0.3235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11180 3202SOL HW111178 0.284 5.839 4.626 -0.2813 -0.6310 -1.2649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11181 3202SOL HW211179 0.414 5.893 4.544 0.0306 1.1793 0.3467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11182 3203SOL OW11180 1.173 5.840 5.360 -0.2334 0.5928 -0.6373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11183 3203SOL HW111181 1.093 5.881 5.403 0.6274 -0.4511 2.1787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11184 3203SOL HW211182 1.249 5.905 5.361 -0.0767 0.4052 -0.1021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11185 3204SOL OW11183 1.149 5.680 5.040 -0.1089 -0.1613 -0.3368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11186 3204SOL HW111184 1.206 5.671 5.122 -0.9140 -1.2497 0.1252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11187 3204SOL HW211185 1.179 5.760 4.988 1.3609 -0.2822 0.2643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11188 3205SOL OW11186 0.048 6.699 3.663 0.1908 0.2650 -0.2123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11189 3205SOL HW111187 -0.010 6.651 3.730 0.4357 -1.1304 -0.9595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11190 3205SOL HW211188 0.144 6.685 3.686 0.2756 -0.2853 -0.8608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11191 3206SOL OW11189 0.073 7.220 4.683 0.0196 -0.2170 -0.1704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11192 3206SOL HW111190 -0.006 7.183 4.732 0.1096 -0.6495 -0.3481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11193 3206SOL HW211191 0.152 7.160 4.696 1.1303 1.5533 2.2768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11194 3207SOL OW11192 0.521 6.899 4.306 -0.2621 -0.4700 -0.0929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11195 3207SOL HW111193 0.509 6.997 4.290 -1.3716 -0.7310 -0.9707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11196 3207SOL HW211194 0.619 6.878 4.310 0.0672 0.3064 -2.4024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11197 3208SOL OW11195 0.964 6.091 4.822 -0.1521 -0.2161 -0.5326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11198 3208SOL HW111196 1.013 6.162 4.873 -1.5455 0.4556 -0.0659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11199 3208SOL HW211197 0.897 6.047 4.882 0.0412 -1.2795 -1.0800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11200 3209SOL OW11198 7.216 6.037 4.799 -0.9978 0.1262 -0.4112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11201 3209SOL HW111199 7.289 5.972 4.822 1.7673 1.5007 -4.2492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11202 3209SOL HW211200 7.226 6.120 4.855 -0.3867 -0.1503 -0.1054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11203 3210SOL OW11201 0.473 5.831 5.095 0.1159 0.0890 -0.0772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11204 3210SOL HW111202 0.398 5.792 5.149 1.0835 -2.4745 -0.4149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11205 3210SOL HW211203 0.542 5.870 5.157 0.0375 -0.5382 0.4194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11206 3211SOL OW11204 1.457 6.349 5.198 -0.2834 0.0491 0.1654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11207 3211SOL HW111205 1.445 6.408 5.118 0.4000 -1.5831 -1.2037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11208 3211SOL HW211206 1.382 6.283 5.202 0.7482 -1.2217 -0.3946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11209 3212SOL OW11207 0.714 6.246 3.847 0.3214 0.3342 0.2639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11210 3212SOL HW111208 0.703 6.147 3.856 0.7118 0.3075 0.4384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11211 3212SOL HW211209 0.625 6.290 3.859 -0.2094 -0.1232 -1.6902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11212 3213SOL OW11210 1.678 6.141 4.705 -0.0402 -0.3762 -0.1989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11213 3213SOL HW111211 1.755 6.078 4.706 -0.0707 -0.4042 0.5214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11214 3213SOL HW211212 1.712 6.235 4.716 -0.1106 -0.3873 0.1010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11215 3214SOL OW11213 0.515 7.184 5.662 0.0995 -0.3951 -0.1564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11216 3214SOL HW111214 0.508 7.172 5.761 1.1592 -2.5393 -0.2919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11217 3214SOL HW211215 0.455 7.119 5.616 -0.5717 0.7540 -0.9524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11218 3215SOL OW11216 0.645 6.003 4.732 0.0154 -0.1560 -0.6282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11219 3215SOL HW111217 0.560 5.983 4.683 0.8835 -0.5285 -2.0062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11220 3215SOL HW211218 0.712 6.042 4.669 1.4155 -1.3416 0.0859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11221 3216SOL OW11219 0.487 6.058 3.894 -0.1789 -0.3353 0.2974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11222 3216SOL HW111220 0.443 6.118 3.827 -0.6237 -0.8013 0.1638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11223 3216SOL HW211221 0.489 5.964 3.859 0.7783 -0.3530 0.3773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11224 3217SOL OW11222 0.169 6.984 5.115 -0.1872 -0.2875 0.5271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11225 3217SOL HW111223 0.204 6.916 5.179 2.9447 -2.0966 -2.7246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11226 3217SOL HW211224 0.245 7.025 5.065 -2.3828 1.2548 -1.8155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11227 3218SOL OW11225 1.087 6.566 4.827 0.3390 0.2984 0.3656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11228 3218SOL HW111226 1.121 6.640 4.770 2.0391 0.1553 1.1479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11229 3218SOL HW211227 1.013 6.599 4.885 -1.3995 0.4622 -1.8115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11230 3219SOL OW11228 1.339 6.488 4.045 -0.1307 0.1308 0.5632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11231 3219SOL HW111229 1.254 6.536 4.064 -0.4558 -0.2393 0.0553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11232 3219SOL HW211230 1.403 6.503 4.120 -0.2614 1.2753 0.4598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11233 3220SOL OW11231 1.962 7.061 4.693 -0.4809 -0.3032 0.0803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11234 3220SOL HW111232 2.046 7.026 4.651 0.2627 0.3050 1.0228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11235 3220SOL HW211233 1.891 7.071 4.623 0.7145 0.6805 -1.0433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11236 3221SOL OW11234 1.255 0.053 4.729 -0.3301 -0.4515 -0.1317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11237 3221SOL HW111235 1.349 0.060 4.695 0.2061 -1.0330 1.1697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11238 3221SOL HW211236 1.246 -0.028 4.787 -0.8887 1.0133 1.9604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11239 3222SOL OW11237 0.193 6.651 4.840 -0.5856 -0.8007 0.3204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11240 3222SOL HW111238 0.289 6.657 4.866 -0.7243 0.0154 0.6781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11241 3222SOL HW211239 0.185 6.656 4.740 -0.1468 -2.6722 0.1518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11242 3223SOL OW11240 1.806 6.028 4.027 0.4477 0.4190 0.1336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11243 3223SOL HW111241 1.887 5.990 3.982 1.9707 1.8313 1.5229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11244 3223SOL HW211242 1.734 5.959 4.031 1.8583 -1.1481 -0.4427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11245 3224SOL OW11243 1.214 7.111 4.263 0.3976 0.2572 0.2552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11246 3224SOL HW111244 1.165 7.173 4.323 -1.0424 -1.4292 0.9298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11247 3224SOL HW211245 1.216 7.149 4.170 -1.4092 0.8340 0.4093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11248 3225SOL OW11246 0.030 7.188 5.631 0.2355 -0.5783 0.1728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11249 3225SOL HW111247 0.018 7.096 5.593 0.8651 0.2365 -2.1717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11250 3225SOL HW211248 -0.020 7.253 5.575 0.8353 0.6794 1.0621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11251 3226SOL OW11249 1.139 6.609 4.192 -0.1602 0.3615 0.1859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11252 3226SOL HW111250 1.137 6.560 4.278 -1.9395 1.1781 0.6443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11253 3226SOL HW211251 1.174 6.702 4.208 -1.5964 0.9061 0.2741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11254 3227SOL OW11252 0.776 6.748 5.193 -0.6147 0.0456 -0.1774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11255 3227SOL HW111253 0.836 6.788 5.263 -2.1017 1.8418 0.1487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11256 3227SOL HW211254 0.750 6.656 5.220 0.7097 -0.1677 0.4493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11257 3228SOL OW11255 0.551 6.948 3.629 0.2179 0.2448 -0.2639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11258 3228SOL HW111256 0.540 6.863 3.680 1.5534 -0.2845 -0.8430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11259 3228SOL HW211257 0.635 6.994 3.658 -0.3197 1.2151 -0.1912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11260 3229SOL OW11258 1.779 5.418 4.556 0.7817 -0.7416 0.4166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11261 3229SOL HW111259 1.839 5.473 4.614 -0.0080 -1.4804 1.9942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11262 3229SOL HW211260 1.788 5.321 4.581 0.1976 -1.0430 -0.5019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11263 3230SOL OW11261 0.055 5.749 4.270 0.0910 -0.0119 -0.1190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11264 3230SOL HW111262 0.012 5.839 4.262 -0.6910 -0.3547 0.0767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11265 3230SOL HW211263 0.134 5.754 4.331 0.4551 0.6758 -0.6385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11266 3231SOL OW11264 1.155 7.201 4.001 -0.0468 0.2936 0.4813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11267 3231SOL HW111265 1.183 7.107 3.984 -0.0389 0.3701 0.0687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11268 3231SOL HW211266 1.061 7.214 3.969 0.0664 0.5153 0.2395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11269 3232SOL OW11267 0.713 6.461 5.209 0.0518 -0.2609 -0.1236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11270 3232SOL HW111268 0.701 6.366 5.183 1.2124 -0.0935 -1.4424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11271 3232SOL HW211269 0.677 6.521 5.137 -0.9786 0.3227 0.8416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11272 3233SOL OW11270 1.054 6.538 3.778 -0.1487 0.1473 0.4943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11273 3233SOL HW111271 1.115 6.521 3.700 -1.0871 -0.3630 -0.1511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11274 3233SOL HW211272 1.056 6.459 3.839 1.1246 0.8323 1.3879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11275 3234SOL OW11273 0.557 6.908 5.091 0.0773 -0.1656 -0.0027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11276 3234SOL HW111274 0.640 6.868 5.132 0.0913 0.5320 0.6837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11277 3234SOL HW211275 0.584 6.976 5.023 0.0540 -1.2143 -1.0779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11278 3235SOL OW11276 1.638 7.073 4.858 -0.2839 -0.0377 0.4153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11279 3235SOL HW111277 1.715 7.064 4.922 0.0913 0.4539 0.0410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11280 3235SOL HW211278 1.556 7.098 4.908 -0.2406 -0.7003 0.8398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11281 3236SOL OW11279 0.941 6.698 4.548 -0.6824 -0.3225 0.0990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11282 3236SOL HW111280 0.897 6.655 4.627 -0.1465 -0.9944 0.0463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11283 3236SOL HW211281 1.001 6.632 4.503 1.2848 0.8416 0.8509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11284 3237SOL OW11282 0.911 5.752 4.531 0.1191 -0.2739 -0.4458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11285 3237SOL HW111283 0.919 5.714 4.439 -0.8136 0.5000 -0.8532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11286 3237SOL HW211284 0.816 5.745 4.563 -0.4339 2.8959 -1.0896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11287 3238SOL OW11285 0.461 7.157 4.259 -0.3354 -0.4222 -0.1284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11288 3238SOL HW111286 0.524 7.229 4.232 -0.7712 -0.1104 -0.3273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11289 3238SOL HW211287 0.367 7.191 4.254 -0.6039 -1.2468 -0.9994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11290 3239SOL OW11288 1.656 6.120 4.999 0.3232 0.0466 0.1891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11291 3239SOL HW111289 1.673 6.060 4.921 0.4577 -0.4733 0.6173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11292 3239SOL HW211290 1.727 6.191 5.001 -0.2819 0.7142 -0.7717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11293 3240SOL OW11291 0.045 6.918 3.942 0.6988 0.5202 0.0570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11294 3240SOL HW111292 -0.041 6.963 3.916 1.6957 0.8187 -3.0919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11295 3240SOL HW211293 0.122 6.979 3.922 1.7552 0.6336 3.6760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11296 3241SOL OW11294 0.186 6.824 5.353 -0.5814 0.3576 -0.2464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11297 3241SOL HW111295 0.088 6.845 5.348 -1.0669 -0.8563 2.2809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11298 3241SOL HW211296 0.200 6.726 5.334 0.0013 0.3268 0.2983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11299 3242SOL OW11297 0.810 5.734 5.066 -0.3889 -0.2237 0.8511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11300 3242SOL HW111298 0.851 5.650 5.032 -1.8279 -0.9734 0.9253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11301 3242SOL HW211299 0.817 5.737 5.165 1.2023 0.5879 0.7446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11302 3243SOL OW11300 0.053 5.550 3.792 0.2579 0.2747 -0.3922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11303 3243SOL HW111301 0.002 5.529 3.876 0.3201 -0.6775 -0.5833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11304 3243SOL HW211302 0.013 5.630 3.748 -0.4599 0.1264 -0.0214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11305 3244SOL OW11303 1.321 6.395 4.730 0.0804 0.0715 0.2448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11306 3244SOL HW111304 1.232 6.353 4.748 -0.2433 0.4175 -0.5138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11307 3244SOL HW211305 1.357 6.434 4.815 -0.0996 -0.7859 0.7340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11308 3245SOL OW11306 0.119 5.820 3.980 -0.2233 0.0771 0.0525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11309 3245SOL HW111307 0.168 5.830 3.893 -0.9919 1.0167 -0.2826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11310 3245SOL HW211308 0.125 5.725 4.010 1.7242 0.1299 -0.0186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11311 3246SOL OW11309 1.226 6.961 3.904 -0.3183 0.7615 -0.1028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11312 3246SOL HW111310 1.136 6.920 3.888 -0.0881 0.2824 -0.1811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11313 3246SOL HW211311 1.297 6.893 3.887 0.0408 1.0082 0.4001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11314 3247SOL OW11312 0.723 6.204 5.139 0.7540 0.4943 0.1686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11315 3247SOL HW111313 0.815 6.176 5.166 0.5994 0.1321 0.3227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11316 3247SOL HW211314 0.693 6.150 5.060 1.2190 1.5786 -0.7731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11317 3248SOL OW11315 1.504 0.127 4.620 0.2313 0.7727 -0.0107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11318 3248SOL HW111316 1.493 0.216 4.576 4.5158 0.4781 -2.1238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11319 3248SOL HW211317 1.489 0.055 4.553 -0.0965 -0.0030 0.8827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11320 3249SOL OW11318 0.492 5.955 5.380 0.8180 0.3039 -0.3060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11321 3249SOL HW111319 0.543 5.895 5.443 -1.9461 -2.6965 -0.6739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11322 3249SOL HW211320 0.415 5.996 5.428 0.9277 1.1310 -0.8219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11323 3250SOL OW11321 1.307 6.748 5.002 0.7944 0.7238 -0.2036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11324 3250SOL HW111322 1.231 6.743 5.067 2.2085 0.4583 1.4912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11325 3250SOL HW211323 1.388 6.784 5.048 2.0220 -0.0745 -1.6547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11326 3251SOL OW11324 1.655 6.578 4.941 0.5344 0.3331 -0.4983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11327 3251SOL HW111325 1.699 6.503 4.891 -3.5157 -1.6078 -1.5999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11328 3251SOL HW211326 1.643 6.656 4.880 0.1930 -0.1085 -1.0115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11329 3252SOL OW11327 1.196 5.966 4.100 0.1493 0.0422 -0.1168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11330 3252SOL HW111328 1.232 5.873 4.104 -0.1211 -0.1858 -2.0894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11331 3252SOL HW211329 1.239 6.021 4.172 1.7505 -1.1208 -0.1251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11332 3253SOL OW11330 0.558 6.113 4.159 -0.2182 0.3283 -0.4485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11333 3253SOL HW111331 0.493 6.176 4.202 -1.5645 0.0063 -1.8928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11334 3253SOL HW211332 0.538 6.107 4.061 2.7465 1.0760 -1.2024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11335 3254SOL OW11333 1.648 6.009 5.263 -0.1250 0.4060 0.0614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11336 3254SOL HW111334 1.636 6.038 5.168 1.4374 1.5466 0.1803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11337 3254SOL HW211335 1.723 5.943 5.268 0.0515 0.6422 0.5478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11338 3255SOL OW11336 1.735 6.651 5.214 -0.7409 0.4711 -0.3053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11339 3255SOL HW111337 1.788 6.732 5.239 0.2869 -0.4651 0.6530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11340 3255SOL HW211338 1.727 6.646 5.114 1.0608 0.5996 -0.4881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11341 3256SOL OW11339 0.783 6.998 3.744 -0.0541 0.2489 -0.1755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11342 3256SOL HW111340 0.767 6.975 3.840 0.6961 1.7769 0.3615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11343 3256SOL HW211341 0.861 7.060 3.738 0.5338 -0.6014 -1.8871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11344 3257SOL OW11342 0.787 6.521 4.684 -0.9095 0.6671 0.1687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11345 3257SOL HW111343 0.830 6.431 4.694 -0.9152 0.8305 1.9373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11346 3257SOL HW211344 0.726 6.538 4.761 0.8360 3.1125 1.1292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11347 3258SOL OW11345 1.028 6.805 3.771 -0.5345 -0.0024 0.3546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11348 3258SOL HW111346 0.943 6.829 3.817 0.0037 0.3005 1.2196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11349 3258SOL HW211347 1.044 6.707 3.779 -1.9096 -0.4601 -1.7583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11350 3259SOL OW11348 1.800 0.029 4.317 0.2587 0.3009 -0.0946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11351 3259SOL HW111349 1.727 0.072 4.264 1.1909 1.0245 -0.8147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11352 3259SOL HW211350 1.761 -0.042 4.376 -1.0638 0.9165 -0.2121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11353 3260SOL OW11351 0.332 6.994 5.520 0.3266 0.9079 -0.3040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11354 3260SOL HW111352 0.287 6.934 5.454 -1.1461 1.8424 -0.1869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11355 3260SOL HW211353 0.280 6.996 5.606 1.2276 1.1086 0.2574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11356 3261SOL OW11354 0.289 6.903 4.180 -0.2050 0.2562 0.4037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11357 3261SOL HW111355 0.281 6.986 4.125 0.4978 -0.5329 -0.9344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11358 3261SOL HW211356 0.376 6.904 4.229 0.0601 0.0553 -0.0592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11359 3262SOL OW11357 0.873 6.886 5.408 -0.0181 -0.2293 -0.1348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11360 3262SOL HW111358 0.785 6.931 5.396 -0.5438 -0.9330 0.9449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11361 3262SOL HW211359 0.886 6.862 5.504 2.1642 1.4802 0.0918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11362 3263SOL OW11360 1.662 5.764 4.684 -0.1251 -0.0425 -0.2818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11363 3263SOL HW111361 1.627 5.760 4.777 -0.9982 1.5462 -0.5063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11364 3263SOL HW211362 1.609 5.702 4.626 -1.7637 1.3354 -0.3370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11365 3264SOL OW11363 0.336 5.923 4.134 -0.3147 -0.2249 -0.0662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11366 3264SOL HW111364 0.370 5.990 4.068 0.3520 3.3995 3.5497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11367 3264SOL HW211365 0.238 5.911 4.121 -0.4514 1.4688 -0.9078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11368 3265SOL OW11366 1.673 7.122 4.563 0.0770 -0.8266 -0.3607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11369 3265SOL HW111367 1.585 7.139 4.519 -1.2049 -1.8456 1.6745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11370 3265SOL HW211368 1.658 7.089 4.656 2.6178 -1.6882 -0.1822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11371 3266SOL OW11369 0.402 6.031 4.876 0.0496 -0.4601 -0.1339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11372 3266SOL HW111370 0.407 5.957 4.943 1.6187 -1.2930 -1.1096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11373 3266SOL HW211371 0.369 5.996 4.789 -1.0771 0.4215 -0.0813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11374 3267SOL OW11372 0.844 7.214 4.299 -0.1601 -0.1969 -0.1025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11375 3267SOL HW111373 0.772 7.266 4.253 0.2201 0.0567 -0.4070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11376 3267SOL HW211374 0.867 7.259 4.385 0.2148 0.1759 -0.3964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11377 3268SOL OW11375 1.390 5.693 4.411 -0.3026 0.4403 -0.2074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11378 3268SOL HW111376 1.437 5.623 4.465 -0.5004 -0.8072 -1.5902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11379 3268SOL HW211377 1.347 5.759 4.473 1.5763 0.5164 1.1207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11380 3269SOL OW11378 0.954 5.424 4.730 0.0117 0.4719 0.1672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11381 3269SOL HW111379 0.900 5.404 4.647 -0.7341 3.7383 -0.2742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11382 3269SOL HW211380 1.051 5.415 4.709 -0.1983 -1.8924 -0.0750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11383 3270SOL OW11381 0.847 6.827 4.010 -0.2310 -0.7218 -0.4066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11384 3270SOL HW111382 0.792 6.748 4.036 2.5460 -2.4509 0.6475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11385 3270SOL HW211383 0.900 6.858 4.089 1.2674 0.0043 -1.6470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11386 3271SOL OW11384 0.620 7.122 4.930 0.4472 0.4132 0.0636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11387 3271SOL HW111385 0.644 7.213 4.964 -0.3267 0.7481 -0.2613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11388 3271SOL HW211386 0.676 7.101 4.850 1.7952 -0.0976 1.1038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11389 3272SOL OW11387 1.437 5.582 3.956 0.7493 -0.2139 0.0875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11390 3272SOL HW111388 1.518 5.545 3.910 0.5894 -0.2866 -0.1383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11391 3272SOL HW211389 1.355 5.550 3.909 0.4034 -3.1807 2.3969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11392 3273SOL OW11390 1.267 6.168 4.296 0.5965 -0.5340 1.0967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11393 3273SOL HW111391 1.195 6.113 4.336 -0.9164 -1.0008 -1.9923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11394 3273SOL HW211392 1.280 6.252 4.351 -3.0083 0.0612 1.2345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11395 3274SOL OW11393 1.559 5.849 4.284 0.2505 0.3629 1.0970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11396 3274SOL HW111394 1.482 5.801 4.325 0.3374 -0.7005 0.0723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11397 3274SOL HW211395 1.564 5.942 4.321 -1.1998 0.2833 1.5618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11398 3275SOL OW11396 0.321 6.581 3.761 -0.5034 -0.1513 -0.1997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11399 3275SOL HW111397 0.290 6.527 3.839 -0.3396 -0.0004 -0.0313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11400 3275SOL HW211398 0.340 6.520 3.684 -0.8460 -0.2826 -0.1847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11401 3276SOL OW11399 0.082 5.909 5.358 -0.0702 0.0394 -0.5604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11402 3276SOL HW111400 -0.013 5.882 5.371 -0.4993 1.2736 -1.0857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11403 3276SOL HW211401 0.122 5.854 5.284 -0.7127 0.2863 -1.0984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11404 3277SOL OW11402 0.256 5.821 6.479 0.5491 -0.1835 0.1460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11405 3277SOL HW111403 0.310 5.743 6.511 -1.6688 -2.9716 -2.3588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11406 3277SOL HW211404 0.162 5.793 6.464 -1.7314 4.2283 3.5236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11407 3278SOL OW11405 0.097 6.136 6.161 -0.0455 0.0694 0.1840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11408 3278SOL HW111406 0.106 6.162 6.257 2.0763 0.0053 0.0400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11409 3278SOL HW211407 0.111 6.217 6.103 0.5976 -0.2578 -0.1205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11410 3279SOL OW11408 0.515 6.936 6.819 0.3032 -0.2802 -0.6976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11411 3279SOL HW111409 0.515 6.977 6.728 -0.3934 0.8912 -0.1979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11412 3279SOL HW211410 0.609 6.925 6.851 0.5442 -0.5944 -1.5147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11413 3280SOL OW11411 1.714 7.185 6.063 0.9021 -0.8908 -0.4241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11414 3280SOL HW111412 1.691 7.101 6.113 -1.7346 -0.4924 -0.7946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11415 3280SOL HW211413 1.672 7.182 5.972 0.2759 1.0292 -0.2533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11416 3281SOL OW11414 1.122 6.218 6.043 -0.1204 0.2791 -0.4409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11417 3281SOL HW111415 1.106 6.241 6.139 -0.3277 -1.4754 -0.0078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11418 3281SOL HW211416 1.142 6.120 6.036 -0.2079 0.3626 -2.2017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11419 3282SOL OW11417 1.832 6.313 5.808 -0.4014 -0.2403 0.0391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11420 3282SOL HW111418 1.739 6.313 5.770 0.9176 0.3714 -3.5663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11421 3282SOL HW211419 1.897 6.284 5.737 2.6010 3.0268 1.1906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11422 3283SOL OW11420 0.667 6.862 6.565 -0.0919 -0.2950 -0.2944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11423 3283SOL HW111421 0.586 6.823 6.521 0.1189 -1.0697 -0.0187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11424 3283SOL HW211422 0.669 6.961 6.551 0.3129 -0.5675 -2.6416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11425 3284SOL OW11423 0.657 6.219 0.039 0.2974 0.4216 -0.5300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11426 3284SOL HW111424 0.746 6.190 0.074 0.0381 0.2732 0.0070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11427 3284SOL HW211425 0.598 6.246 0.115 -1.3090 -2.6644 -0.5215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11428 3285SOL OW11426 0.661 6.448 6.170 -0.4717 -0.4317 -0.3279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11429 3285SOL HW111427 0.730 6.421 6.236 -1.7461 -1.3152 0.6908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11430 3285SOL HW211428 0.620 6.535 6.198 -0.4438 -0.3926 -0.4077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11431 3286SOL OW11429 0.438 7.099 6.571 -0.0113 0.0342 0.0539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11432 3286SOL HW111430 0.348 7.118 6.611 0.6879 2.7741 0.5842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11433 3286SOL HW211431 0.426 7.063 6.478 -1.6515 -0.2980 0.3607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11434 3287SOL OW11432 1.363 7.052 6.620 -0.0004 -0.0269 0.7831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11435 3287SOL HW111433 1.297 7.116 6.582 -1.4304 -1.0560 1.4455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11436 3287SOL HW211434 1.392 7.085 6.710 -0.3317 -0.0267 0.8928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11437 3288SOL OW11435 0.450 5.996 6.930 -0.3978 0.1475 -0.2158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11438 3288SOL HW111436 0.357 5.959 6.941 -0.7392 0.9656 -0.2231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11439 3288SOL HW211437 0.468 6.061 7.004 0.4654 -0.5723 0.2250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11440 3289SOL OW11438 1.945 6.004 6.033 -0.0441 -0.2797 0.0196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11441 3289SOL HW111439 1.922 6.079 6.096 1.1364 0.2649 -0.1807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11442 3289SOL HW211440 1.867 5.986 5.974 -0.3607 0.7694 0.0924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11443 3290SOL OW11441 0.230 7.216 5.835 -0.0367 -0.7165 -0.3766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11444 3290SOL HW111442 0.172 7.202 5.754 0.4091 -1.4922 -0.5750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11445 3290SOL HW211443 0.173 7.239 5.914 -0.3945 1.1321 -1.1303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11446 3291SOL OW11444 0.403 6.793 6.518 0.6185 0.2169 0.1983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11447 3291SOL HW111445 0.369 6.700 6.502 -0.0359 0.3832 0.5842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11448 3291SOL HW211446 0.326 6.856 6.527 1.0359 0.6768 0.6698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11449 3292SOL OW11447 0.555 6.292 5.685 -0.0387 0.4082 0.4773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11450 3292SOL HW111448 0.634 6.331 5.732 -0.3763 -0.1647 1.5528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11451 3292SOL HW211449 0.549 6.194 5.705 -0.3558 0.2111 -0.5481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11452 3293SOL OW11450 1.420 5.669 6.969 0.3950 0.5775 0.2381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11453 3293SOL HW111451 1.366 5.731 6.911 -3.1415 -1.6930 0.7958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11454 3293SOL HW211452 1.409 5.696 7.065 -0.0989 -0.1238 0.3844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11455 3294SOL OW11453 0.289 6.375 6.072 -0.0268 0.2607 0.4267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11456 3294SOL HW111454 0.353 6.350 6.145 0.6466 1.2731 0.1968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11457 3294SOL HW211455 0.329 6.447 6.016 -0.4995 -0.5331 -0.9888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11458 3295SOL OW11456 7.251 6.938 5.585 -0.5305 0.5812 0.1036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11459 3295SOL HW111457 7.187 6.864 5.602 1.9267 -1.9091 -0.8523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11460 3295SOL HW211458 7.257 6.957 5.487 -0.3684 1.3610 0.2502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11461 3296SOL OW11459 1.635 6.723 6.005 0.4689 0.2134 0.5038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11462 3296SOL HW111460 1.632 6.625 5.985 0.7476 0.3183 -0.0532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11463 3296SOL HW211461 1.724 6.760 5.979 0.2800 0.6618 0.4904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11464 3297SOL OW11462 1.845 6.838 5.860 0.2609 -0.3551 0.3594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11465 3297SOL HW111463 1.902 6.774 5.809 0.4167 -1.6692 2.0772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11466 3297SOL HW211464 1.903 6.899 5.914 0.0807 -0.0183 0.1742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11467 3298SOL OW11465 0.371 6.381 7.024 0.7489 -0.4273 -0.6095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11468 3298SOL HW111466 0.441 6.311 7.010 0.8900 -0.0945 -1.5676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11469 3298SOL HW211467 0.334 6.411 6.936 1.1981 1.2325 -0.2713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11470 3299SOL OW11468 0.821 6.776 6.178 -0.0324 0.1882 0.2256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11471 3299SOL HW111469 0.777 6.689 6.200 -2.6776 1.3892 0.0428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11472 3299SOL HW211470 0.827 6.787 6.079 1.5897 -0.3286 0.2285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11473 3300SOL OW11471 1.029 6.843 7.030 -0.5036 0.8393 -0.3397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11474 3300SOL HW111472 1.095 6.827 6.957 -0.1138 2.4083 -0.3670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11475 3300SOL HW211473 1.068 6.815 7.118 -0.2039 0.8021 -0.4865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11476 3301SOL OW11474 0.711 5.715 5.917 0.4951 -0.3409 -0.1898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11477 3301SOL HW111475 0.706 5.670 5.828 0.4639 -1.8429 0.5412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11478 3301SOL HW211476 0.630 5.691 5.970 0.6781 0.2741 0.3738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11479 3302SOL OW11477 0.144 6.586 6.880 0.2270 -0.5842 -0.1643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11480 3302SOL HW111478 0.226 6.634 6.848 0.1390 -1.3377 -1.5778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11481 3302SOL HW211479 0.068 6.604 6.816 -1.1818 1.3132 1.8757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11482 3303SOL OW11480 1.637 6.873 5.600 0.2294 0.6680 -0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11483 3303SOL HW111481 1.605 6.949 5.543 -0.4846 0.1323 -0.4003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11484 3303SOL HW211482 1.571 6.856 5.673 -0.1548 -0.2826 -0.6073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11485 3304SOL OW11483 0.369 5.802 0.016 -0.6528 0.0712 0.9143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11486 3304SOL HW111484 0.374 5.900 -0.005 0.1484 -0.2600 -0.5256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11487 3304SOL HW211485 0.280 5.767 -0.012 -0.4847 0.1351 0.3053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11488 3305SOL OW11486 1.631 6.960 6.183 0.3601 0.4274 -0.7560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11489 3305SOL HW111487 1.561 6.892 6.161 1.0902 -0.1524 -1.3823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11490 3305SOL HW211488 1.705 6.916 6.235 1.1629 0.5604 -1.7371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11491 3306SOL OW11489 0.791 5.857 5.318 -0.3895 0.0736 -0.4622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11492 3306SOL HW111490 0.770 5.940 5.266 0.7634 0.6913 0.0294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11493 3306SOL HW211491 0.866 5.875 5.381 -1.2517 -0.8764 0.8836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11494 3307SOL OW11492 1.294 6.091 6.573 -0.4249 -0.1110 -0.3728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11495 3307SOL HW111493 1.197 6.068 6.583 -0.0965 -0.7046 1.8051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11496 3307SOL HW211494 1.344 6.066 6.656 1.1652 2.4931 -0.4098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11497 3308SOL OW11495 1.582 7.119 5.432 0.2147 -0.0000 -1.1017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11498 3308SOL HW111496 1.572 7.212 5.470 2.4890 -0.4584 0.8785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11499 3308SOL HW211497 1.645 7.121 5.355 -1.3090 0.3325 -2.3971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11500 3309SOL OW11498 0.877 6.127 6.954 -0.2278 -0.1310 -0.0740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11501 3309SOL HW111499 0.837 6.040 6.984 -1.2518 -0.0986 -1.2226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11502 3309SOL HW211500 0.856 6.141 6.857 1.6626 0.4492 -0.4499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11503 3310SOL OW11501 0.717 6.513 7.234 -0.5633 -0.3228 -0.2692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11504 3310SOL HW111502 0.755 6.429 7.195 -1.6498 -1.9120 1.9252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11505 3310SOL HW211503 0.667 6.562 7.163 0.3712 -1.3291 -1.6864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11506 3311SOL OW11504 1.052 6.028 6.624 -0.3530 -0.2353 0.0147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11507 3311SOL HW111505 0.975 6.091 6.627 -1.2718 -1.2483 -1.2857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11508 3311SOL HW211506 1.020 5.934 6.633 1.0514 -0.5650 2.5630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11509 3312SOL OW11507 0.884 6.209 5.875 0.0010 -0.1102 -0.4954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11510 3312SOL HW111508 0.953 6.222 5.947 -0.4077 -0.6513 0.0051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11511 3312SOL HW211509 0.808 6.156 5.911 -0.5495 0.2310 -1.1314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11512 3313SOL OW11510 0.096 6.597 6.380 0.1317 0.1833 0.1419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11513 3313SOL HW111511 0.186 6.566 6.411 0.6520 0.8300 -0.6663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11514 3313SOL HW211512 0.059 6.662 6.447 0.5415 0.3816 0.1785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11515 3314SOL OW11513 6.861 0.050 6.805 0.1637 0.3498 -0.8052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11516 3314SOL HW111514 6.782 0.060 6.866 0.9499 -1.3914 0.6143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11517 3314SOL HW211515 6.837 -0.008 6.728 0.0714 -0.2552 -0.3206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11518 3315SOL OW11516 0.680 5.818 5.546 0.1726 -0.1751 -0.1830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11519 3315SOL HW111517 0.706 5.836 5.452 -1.3848 0.0523 -0.5911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11520 3315SOL HW211518 0.725 5.734 5.577 -1.2386 -1.6843 -1.9846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11521 3316SOL OW11519 1.097 6.433 5.905 0.3607 0.6071 0.4879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11522 3316SOL HW111520 1.128 6.355 5.959 -1.5522 -0.1841 0.5321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11523 3316SOL HW211521 1.139 6.428 5.814 0.9617 0.0404 0.7825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11524 3317SOL OW11522 0.624 5.704 6.567 -0.2402 -0.3278 0.2555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11525 3317SOL HW111523 0.719 5.678 6.551 -0.1269 1.0917 -1.9539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11526 3317SOL HW211524 0.620 5.785 6.625 0.0262 0.4174 -0.7364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11527 3318SOL OW11525 1.353 0.010 5.705 0.1993 -0.0431 -0.3194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11528 3318SOL HW111526 1.322 0.013 5.610 -1.2832 0.1020 0.1573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11529 3318SOL HW211527 1.288 -0.041 5.760 1.0509 -0.1148 0.6407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11530 3319SOL OW11528 0.685 0.026 6.119 0.0993 -0.1280 0.1612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11531 3319SOL HW111529 0.751 -0.047 6.135 0.1052 0.0227 0.8001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11532 3319SOL HW211530 0.685 0.089 6.197 -0.9326 -0.2308 0.2476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11533 3320SOL OW11531 1.888 6.460 6.231 -0.6674 -0.1892 0.1201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11534 3320SOL HW111532 1.937 6.542 6.261 -2.3702 0.1772 2.1150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11535 3320SOL HW211533 1.809 6.486 6.176 -0.9406 -0.4976 0.3600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11536 3321SOL OW11534 1.150 7.092 7.095 -0.6739 0.3930 -0.3469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11537 3321SOL HW111535 1.097 7.018 7.053 -3.5400 3.3210 -2.3518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11538 3321SOL HW211536 1.216 7.127 7.029 0.7551 -0.3544 0.6352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11539 3322SOL OW11537 0.363 6.507 5.645 -0.1398 0.4724 0.5290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11540 3322SOL HW111538 0.420 6.425 5.651 -0.1565 0.4960 1.0670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11541 3322SOL HW211539 0.348 6.544 5.737 0.2221 1.3245 0.2528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11542 3323SOL OW11540 1.568 6.047 6.120 0.4938 0.3019 -0.4263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11543 3323SOL HW111541 1.518 6.040 6.206 -0.2712 2.6329 -0.5997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11544 3323SOL HW211542 1.658 6.088 6.137 0.4408 0.5304 -0.6782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11545 3324SOL OW11543 0.556 6.647 7.031 -0.3151 0.1458 0.0577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11546 3324SOL HW111544 0.568 6.734 6.983 1.1808 0.4667 0.9671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11547 3324SOL HW211545 0.475 6.600 6.994 -0.6615 1.5163 -1.0232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11548 3325SOL OW11546 0.226 5.853 6.939 -0.0415 0.4936 -0.0141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11549 3325SOL HW111547 0.154 5.922 6.938 -1.2854 -0.7338 0.3927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11550 3325SOL HW211548 0.219 5.799 7.023 2.0187 0.9757 0.5173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11551 3326SOL OW11549 1.219 7.227 5.112 0.6514 0.0980 -0.2603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11552 3326SOL HW111550 1.126 7.196 5.091 -1.1484 2.3477 3.3853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11553 3326SOL HW211551 1.245 7.298 5.047 -1.7450 1.9008 0.5983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11554 3327SOL OW11552 1.221 5.717 6.200 -0.2735 -0.2405 0.2676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11555 3327SOL HW111553 1.279 5.688 6.276 -0.9188 -0.8871 0.5189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11556 3327SOL HW211554 1.155 5.784 6.233 -0.5775 -0.5490 0.2817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11557 3328SOL OW11555 0.407 6.147 5.930 -0.2961 -0.2722 -0.1492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11558 3328SOL HW111556 0.494 6.155 5.978 0.7265 0.4993 -2.0008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11559 3328SOL HW211557 0.346 6.220 5.958 -0.1484 -0.4958 0.7747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11560 3329SOL OW11558 0.709 5.533 5.678 0.2090 -0.6209 -0.3049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11561 3329SOL HW111559 0.751 5.465 5.738 -1.9373 -0.2208 1.7680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11562 3329SOL HW211560 0.626 5.495 5.637 -0.0101 0.1437 -0.5861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11563 3330SOL OW11561 0.664 5.709 7.205 0.6679 -0.1080 -0.0544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11564 3330SOL HW111562 0.680 5.636 7.272 -2.2095 -0.6874 0.1330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11565 3330SOL HW211563 0.593 5.771 7.239 2.5009 2.4035 -0.5708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11566 3331SOL OW11564 1.095 6.971 6.534 -0.3398 0.4530 -0.2498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11567 3331SOL HW111565 1.045 6.895 6.491 -1.8519 0.9730 0.5274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11568 3331SOL HW211566 1.190 6.943 6.548 -0.1985 -0.3431 -2.3279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11569 3332SOL OW11567 1.176 6.132 7.141 0.0886 -0.1390 -0.1828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11570 3332SOL HW111568 1.242 6.120 7.215 0.1427 0.6380 -0.0983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11571 3332SOL HW211569 1.168 6.229 7.118 0.2870 -0.3947 -1.3935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11572 3333SOL OW11570 0.994 6.769 6.380 0.2870 0.2803 0.0904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11573 3333SOL HW111571 1.063 6.737 6.314 -0.2964 -1.5550 0.3151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11574 3333SOL HW211572 0.911 6.794 6.331 0.0835 -0.4325 0.0682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11575 3334SOL OW11573 1.003 5.980 6.230 -0.6394 -0.7126 0.1211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11576 3334SOL HW111574 0.962 5.947 6.144 -0.0399 -1.4604 0.1184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11577 3334SOL HW211575 0.940 5.964 6.305 -1.4374 0.5066 -0.2432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11578 3335SOL OW11576 0.526 5.652 6.114 0.0351 0.0988 0.1139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11579 3335SOL HW111577 0.537 5.557 6.145 0.4902 -0.3917 -1.4489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11580 3335SOL HW211578 0.465 5.654 6.035 -0.8798 1.2782 0.8183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11581 3336SOL OW11579 1.359 6.947 5.428 0.5643 -0.4767 -0.7780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11582 3336SOL HW111580 1.325 6.920 5.518 -0.3759 -0.7431 -1.1957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11583 3336SOL HW211581 1.412 7.032 5.436 -0.5160 0.1610 -0.1344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11584 3337SOL OW11582 0.294 5.926 5.811 -0.1237 0.4804 -0.1814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11585 3337SOL HW111583 0.310 5.844 5.867 -0.9757 0.3519 -0.0989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11586 3337SOL HW211584 0.344 6.003 5.849 -0.9720 0.4837 0.9987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11587 3338SOL OW11585 1.050 5.906 5.810 -0.5797 0.2471 0.2387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11588 3338SOL HW111586 1.038 5.999 5.775 1.6944 0.0430 -1.3104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11589 3338SOL HW211587 1.132 5.903 5.867 -2.6068 -0.0954 3.3373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11590 3339SOL OW11588 0.895 6.316 7.160 -0.1584 -0.1281 0.5917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11591 3339SOL HW111589 0.898 6.242 7.091 1.5524 -0.1392 0.6387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11592 3339SOL HW211590 0.970 6.379 7.144 -1.4082 1.4620 0.7640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11593 3340SOL OW11591 1.356 7.072 6.242 -0.2205 -0.1337 -0.7178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11594 3340SOL HW111592 1.261 7.088 6.271 0.3593 1.8161 0.3210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11595 3340SOL HW211593 1.393 7.157 6.203 1.6959 -0.2133 0.7768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11596 3341SOL OW11594 0.505 6.652 6.265 0.0002 0.3556 0.5440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11597 3341SOL HW111595 0.520 6.702 6.350 0.8041 0.7669 0.1862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11598 3341SOL HW211596 0.418 6.679 6.225 0.3066 1.3033 0.4880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11599 3342SOL OW11597 0.972 5.996 5.463 -0.2446 -0.1074 0.1928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11600 3342SOL HW111598 0.980 6.054 5.382 1.2183 -2.5435 -1.5357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11601 3342SOL HW211599 1.008 6.044 5.542 -1.6627 2.3410 -0.5485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11602 3343SOL OW11600 0.300 6.255 6.740 -0.4618 0.0732 0.2984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11603 3343SOL HW111601 0.309 6.157 6.724 0.2959 0.0698 0.6683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11604 3343SOL HW211602 0.389 6.299 6.724 -0.9881 0.8223 -0.6598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11605 3344SOL OW11603 0.631 5.904 6.748 -0.2550 0.0604 -0.1743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11606 3344SOL HW111604 0.672 5.826 6.795 1.1955 1.5180 1.1088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11607 3344SOL HW211605 0.570 5.952 6.810 -1.8659 -0.5423 -1.2453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11608 3345SOL OW11606 0.663 6.051 5.981 -0.5762 -0.4806 0.4105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11609 3345SOL HW111607 0.625 6.032 5.891 -4.4577 -1.3146 1.9980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11610 3345SOL HW211608 0.740 5.990 5.999 0.6086 0.0579 -2.4296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11611 3346SOL OW11609 0.876 5.892 6.009 -0.3886 0.2034 0.2989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11612 3346SOL HW111610 0.933 5.906 5.927 0.1499 -0.8723 0.4687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11613 3346SOL HW211611 0.800 5.831 5.986 -2.0230 2.2967 -0.1419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11614 3347SOL OW11612 1.648 6.634 6.266 0.1226 0.1421 -0.1929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11615 3347SOL HW111613 1.607 6.543 6.272 1.1390 -0.3500 -0.4906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11616 3347SOL HW211614 1.634 6.672 6.174 0.6884 -0.2050 -0.4265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11617 3348SOL OW11615 1.590 6.147 6.429 0.3258 -0.7572 -0.0379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11618 3348SOL HW111616 1.509 6.094 6.456 -0.9644 0.3629 -1.5590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11619 3348SOL HW211617 1.672 6.090 6.439 -0.9382 -2.9061 -1.1635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11620 3349SOL OW11618 1.680 6.471 5.990 -0.9242 -0.0910 0.3117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11621 3349SOL HW111619 1.767 6.481 5.941 -0.2155 -1.1074 1.3217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11622 3349SOL HW211620 1.613 6.428 5.930 -0.4359 -0.2108 -0.1558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11623 3350SOL OW11621 0.613 6.720 5.512 0.5086 0.2449 0.1781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11624 3350SOL HW111622 0.603 6.801 5.455 0.0843 -0.5745 -0.9515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11625 3350SOL HW211623 0.526 6.671 5.515 0.5720 0.1793 1.4052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11626 3351SOL OW11624 1.805 6.850 6.339 -0.4008 -0.0640 0.1287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11627 3351SOL HW111625 1.817 6.840 6.438 0.7636 -0.5087 -0.0379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11628 3351SOL HW211626 1.775 6.762 6.301 0.7411 -0.3669 -0.1125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11629 3352SOL OW11627 1.407 6.083 5.603 -0.0888 0.3097 0.1080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11630 3352SOL HW111628 1.369 6.050 5.690 -0.9563 -1.0916 -0.7521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11631 3352SOL HW211629 1.422 6.181 5.608 -0.9756 0.3989 1.5382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11632 3353SOL OW11630 0.386 5.647 5.894 0.0339 0.0292 0.2005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11633 3353SOL HW111631 0.360 5.618 5.802 1.1745 -0.2434 -0.0615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11634 3353SOL HW211632 0.308 5.639 5.956 -0.1016 -2.2237 -0.1918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11635 3354SOL OW11633 1.284 6.808 6.900 -0.2023 -0.0485 0.0418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11636 3354SOL HW111634 1.308 6.899 6.864 1.4491 0.3031 1.8641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11637 3354SOL HW211635 1.343 6.787 6.978 -1.0881 -2.3835 0.1435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11638 3355SOL OW11636 0.770 6.899 6.944 -0.2634 -0.1059 0.2051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11639 3355SOL HW111637 0.737 6.991 6.963 0.7065 0.4000 -0.4663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11640 3355SOL HW211638 0.857 6.883 6.992 -0.4381 -0.6784 0.3431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11641 3356SOL OW11639 1.418 7.117 6.893 -0.0674 0.1874 -0.0236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11642 3356SOL HW111640 1.415 7.216 6.883 -0.4418 0.1109 -0.7372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11643 3356SOL HW211641 1.507 7.090 6.929 -0.0399 0.7996 0.3794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11644 3357SOL OW11642 1.374 6.767 6.545 0.1453 -0.1808 0.4197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11645 3357SOL HW111643 1.384 6.857 6.587 -0.8381 0.1054 0.0535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11646 3357SOL HW211644 1.411 6.768 6.452 3.4048 -1.1195 1.5709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11647 3358SOL OW11645 1.676 6.681 6.545 -0.2224 -0.0242 0.3245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11648 3358SOL HW111646 1.627 6.641 6.622 -0.8716 -0.8688 -0.5195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11649 3358SOL HW211647 1.638 6.648 6.459 1.0482 0.2393 -0.3700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11650 3359SOL OW11648 0.855 5.685 6.860 0.3492 -0.2935 0.2251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11651 3359SOL HW111649 0.879 5.685 6.763 0.7237 -1.7939 0.2926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11652 3359SOL HW211650 0.896 5.605 6.904 -0.0707 0.2018 1.5640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11653 3360SOL OW11651 0.760 6.448 5.865 -0.1081 0.1153 -0.0072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11654 3360SOL HW111652 0.720 6.458 5.956 0.7479 1.4922 0.2588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11655 3360SOL HW211653 0.821 6.369 5.864 1.0406 0.9283 1.1175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11656 3361SOL OW11654 0.540 6.357 6.630 0.3190 -0.1415 -0.3468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11657 3361SOL HW111655 0.594 6.414 6.693 0.4953 0.5741 -1.1211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11658 3361SOL HW211656 0.602 6.303 6.574 0.1456 -1.3890 0.6141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11659 3362SOL OW11657 1.195 6.036 6.892 -0.1100 0.1520 -0.1163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11660 3362SOL HW111658 1.193 6.080 6.982 -1.0034 -0.1414 0.0105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11661 3362SOL HW211659 1.115 6.064 6.839 -1.5504 -2.4669 0.5149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11662 3363SOL OW11660 0.062 7.248 7.036 0.1797 -0.0483 0.3543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11663 3363SOL HW111661 0.066 7.150 7.055 -0.9610 -0.5320 -1.6404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11664 3363SOL HW211662 -0.030 7.283 7.059 0.2700 0.3361 0.1127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11665 3364SOL OW11663 0.382 6.615 5.955 -0.3461 0.0799 -0.1055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11666 3364SOL HW111664 0.318 6.682 5.990 -1.4007 0.0552 -1.8599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11667 3364SOL HW211665 0.439 6.656 5.883 0.2236 -0.4355 0.0311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11668 3365SOL OW11666 0.429 6.286 6.279 0.0037 0.3635 0.2684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11669 3365SOL HW111667 0.479 6.365 6.245 -0.5801 -0.4028 -2.6635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11670 3365SOL HW211668 0.492 6.208 6.285 -0.2941 -0.0439 -1.3094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11671 3366SOL OW11669 1.479 6.869 5.821 -0.0554 0.3944 0.0450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11672 3366SOL HW111670 1.492 6.959 5.863 0.7308 0.7981 -1.0196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11673 3366SOL HW211671 1.517 6.798 5.881 -0.9532 0.7221 1.0347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11674 3367SOL OW11672 1.591 7.107 6.452 0.0187 -0.3920 -0.1287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11675 3367SOL HW111673 1.508 7.059 6.482 -0.7279 1.2185 0.4866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11676 3367SOL HW211674 1.590 7.115 6.353 0.3286 -1.8976 -0.2852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11677 3368SOL OW11675 1.482 6.074 5.883 0.3276 -0.1898 0.0291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11678 3368SOL HW111676 1.514 6.065 5.978 0.7684 0.5583 -0.0384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11679 3368SOL HW211677 1.515 6.160 5.845 2.2027 -1.5306 -1.6076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11680 3369SOL OW11678 0.391 7.107 6.981 -0.2048 0.0047 0.5012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11681 3369SOL HW111679 0.417 7.041 6.910 1.3175 0.1231 0.8989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11682 3369SOL HW211680 0.352 7.059 7.059 0.9988 -0.4616 0.8333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11683 3370SOL OW11681 0.594 6.209 7.039 -0.3313 0.2301 0.9108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11684 3370SOL HW111682 0.684 6.236 7.005 -0.0360 -1.2237 0.4526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11685 3370SOL HW211683 0.594 6.214 7.139 0.3404 0.0525 0.9271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11686 3371SOL OW11684 1.573 6.402 0.016 -0.3338 -0.0744 -0.7746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11687 3371SOL HW111685 1.481 6.398 0.057 -0.6631 -0.5609 -1.5314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11688 3371SOL HW211686 1.637 6.439 0.082 -1.1665 0.6956 -0.3786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11689 3372SOL OW11687 1.015 6.573 6.569 0.2817 0.0646 -0.4652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11690 3372SOL HW111688 1.013 6.642 6.497 -0.3074 1.0987 0.5169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11691 3372SOL HW211689 0.966 6.607 6.649 2.7727 -0.1474 1.2663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11692 3373SOL OW11690 1.255 6.428 6.300 0.1147 -0.0936 0.3642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11693 3373SOL HW111691 1.191 6.352 6.292 -0.3646 0.3891 -0.5596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11694 3373SOL HW211692 1.343 6.402 6.260 -1.1479 1.0227 -3.6834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11695 3374SOL OW11693 1.065 6.154 5.659 -0.1703 0.2823 -0.6470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11696 3374SOL HW111694 0.989 6.194 5.709 -0.6225 -1.0897 -0.1933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11697 3374SOL HW211695 1.135 6.224 5.644 -0.0353 0.7998 1.8542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11698 3375SOL OW11696 0.372 5.601 6.571 -0.5623 -0.0052 -0.7077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11699 3375SOL HW111697 0.471 5.611 6.569 -0.5647 0.4312 -3.5175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11700 3375SOL HW211698 0.347 5.511 6.537 -1.1527 -1.0860 2.3103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11701 3376SOL OW11699 0.205 7.152 6.781 0.3818 0.3712 -0.7333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11702 3376SOL HW111700 0.258 7.160 6.865 0.8690 2.3120 -1.1676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11703 3376SOL HW211701 0.121 7.206 6.789 0.6361 0.9191 -1.6146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11704 3377SOL OW11702 0.710 6.224 6.467 0.2661 0.2008 0.4017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11705 3377SOL HW111703 0.687 6.156 6.398 -2.7743 0.5190 0.9580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11706 3377SOL HW211704 0.752 6.303 6.424 0.2766 -0.4308 -0.7844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11707 3378SOL OW11705 0.158 5.640 6.088 -0.5112 -0.7476 -0.7427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11708 3378SOL HW111706 0.184 5.724 6.136 -0.0644 -0.6644 -1.1248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11709 3378SOL HW211707 0.202 5.561 6.132 -0.9227 -0.7835 -0.3901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11710 3379SOL OW11708 1.743 5.951 5.836 0.1230 -0.4485 0.1191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11711 3379SOL HW111709 1.723 5.856 5.815 -0.4910 -0.5908 1.2646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11712 3379SOL HW211710 1.659 5.998 5.862 0.7500 -0.2415 1.9616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11713 3380SOL OW11711 1.045 6.242 6.313 -0.3656 -0.1446 -0.3313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11714 3380SOL HW111712 1.028 6.250 6.411 0.6986 -1.3615 -0.0102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11715 3380SOL HW211713 1.037 6.146 6.286 0.4616 0.0158 -1.2083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11716 3381SOL OW11714 1.687 7.063 6.989 -0.0342 0.3422 0.5045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11717 3381SOL HW111715 1.734 6.994 6.934 0.8318 1.5579 -0.3265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11718 3381SOL HW211716 1.742 7.085 7.070 -0.8346 -0.7128 1.3703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11719 3382SOL OW11717 1.601 5.773 5.452 0.4660 0.3904 -0.2896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11720 3382SOL HW111718 1.534 5.846 5.464 -0.2810 0.0748 -2.3536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11721 3382SOL HW211719 1.585 5.702 5.520 -1.4178 0.2301 -0.8669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11722 3383SOL OW11720 1.453 6.531 5.424 0.1945 -0.0186 -0.7227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11723 3383SOL HW111721 1.543 6.513 5.463 0.4196 -0.4878 -1.4395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11724 3383SOL HW211722 1.428 6.456 5.363 -0.8325 -0.0544 -0.2744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11725 3384SOL OW11723 1.392 6.812 6.274 0.5172 0.4354 -0.3473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11726 3384SOL HW111724 1.325 6.752 6.229 0.0488 0.7182 -0.0299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11727 3384SOL HW211725 1.380 6.906 6.241 1.2092 0.3732 -0.7945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11728 3385SOL OW11726 0.327 6.528 6.526 0.4601 -0.3076 -0.0761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11729 3385SOL HW111727 0.282 6.493 6.608 -0.1061 -0.9128 -0.6280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11730 3385SOL HW211728 0.412 6.477 6.510 -0.4289 -1.5836 -0.9507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11731 3386SOL OW11729 0.225 6.158 6.429 -0.0243 0.4929 0.0429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11732 3386SOL HW111730 0.277 6.140 6.512 -0.4623 -1.4553 -0.0409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11733 3386SOL HW211731 0.287 6.190 6.357 1.4435 -2.9747 -0.4536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11734 3387SOL OW11732 1.160 5.772 6.851 0.0963 -0.4212 -0.0872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11735 3387SOL HW111733 1.126 5.739 6.939 -0.9805 -0.1084 -0.3771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11736 3387SOL HW211734 1.167 5.871 6.853 2.3980 -0.5446 0.4516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11737 3388SOL OW11735 0.027 6.848 5.850 -0.1687 -0.3347 0.5662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11738 3388SOL HW111736 -0.001 6.896 5.767 1.0442 -0.7668 -0.1112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11739 3388SOL HW211737 -0.033 6.770 5.865 -2.4552 1.5229 1.9169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11740 3389SOL OW11738 0.474 7.016 6.303 -0.8122 -0.3731 -0.2498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11741 3389SOL HW111739 0.430 6.960 6.233 -0.6406 -0.5820 -0.1914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11742 3389SOL HW211740 0.573 7.002 6.300 -0.5667 1.3199 -1.4713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11743 3390SOL OW11741 0.759 7.032 6.233 0.2658 0.3376 0.1688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11744 3390SOL HW111742 0.821 7.054 6.308 1.5662 -0.7155 -0.5570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11745 3390SOL HW211743 0.787 6.946 6.191 -0.4576 0.8821 -1.5034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11746 3391SOL OW11744 1.061 6.316 6.565 0.1311 -0.2060 0.0431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11747 3391SOL HW111745 1.046 6.414 6.572 -0.4663 -0.4242 3.0491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11748 3391SOL HW211746 1.158 6.296 6.571 0.2509 0.1647 -0.5347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11749 3392SOL OW11747 0.108 6.324 6.586 0.3715 -0.2222 0.3750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11750 3392SOL HW111748 0.148 6.259 6.521 0.2364 0.0075 0.0607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11751 3392SOL HW211749 0.135 6.299 6.679 1.3569 0.0108 0.1601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11752 3393SOL OW11750 0.587 6.017 5.712 -0.6313 0.3504 -0.5727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11753 3393SOL HW111751 0.633 5.964 5.641 -0.7916 -0.2224 -0.2584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11754 3393SOL HW211752 0.491 5.992 5.715 -0.6255 0.3705 -0.1601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11755 3394SOL OW11753 1.491 6.405 6.978 -0.1003 0.0079 0.1617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11756 3394SOL HW111754 1.411 6.444 6.933 0.0430 -0.6220 -0.6732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11757 3394SOL HW211755 1.497 6.439 7.072 0.1786 2.2233 -0.5884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11758 3395SOL OW11756 0.140 6.965 7.131 -0.4255 -0.1151 -0.4507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11759 3395SOL HW111757 0.138 6.868 7.106 1.7940 -0.1146 -0.8757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11760 3395SOL HW211758 0.178 6.975 7.223 -0.8910 0.3275 -0.3059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11761 3396SOL OW11759 0.781 6.131 6.692 -0.3053 -0.0328 0.1598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11762 3396SOL HW111760 0.722 6.051 6.699 2.1283 -2.0905 -1.0965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11763 3396SOL HW211761 0.759 6.183 6.610 -0.7830 -0.4139 0.0465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11764 3397SOL OW11762 0.257 6.024 5.531 0.1372 -0.1714 0.7597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11765 3397SOL HW111763 0.232 6.015 5.627 0.4790 0.4114 0.9056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11766 3397SOL HW211764 0.193 5.972 5.475 -0.5242 0.1136 1.2431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11767 3398SOL OW11765 0.073 6.708 7.097 0.0245 0.6625 -0.2146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11768 3398SOL HW111766 0.113 6.663 7.178 -0.1389 0.4824 -0.2327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11769 3398SOL HW211767 0.105 6.661 7.015 0.1911 0.8466 -0.2557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11770 3399SOL OW11768 1.334 6.513 6.576 0.0464 -0.4034 0.4209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11771 3399SOL HW111769 1.292 6.479 6.492 -0.1978 -0.6115 0.6247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11772 3399SOL HW211770 1.350 6.611 6.568 1.3166 -0.6615 -0.4063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11773 3400SOL OW11771 1.999 7.024 6.689 -0.5808 -0.2455 0.5867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11774 3400SOL HW111772 2.062 7.026 6.612 -0.1852 -0.5454 0.9002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11775 3400SOL HW211773 1.914 6.979 6.662 0.1327 -1.7285 0.7444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11776 3401SOL OW11774 1.406 0.060 6.453 0.4438 -0.7020 0.2578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11777 3401SOL HW111775 1.420 0.077 6.356 0.8750 1.6751 0.6536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11778 3401SOL HW211776 1.476 -0.002 6.487 1.3547 -0.1840 -0.6284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11779 3402SOL OW11777 0.177 6.958 6.568 0.0364 0.2874 0.7548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11780 3402SOL HW111778 0.175 6.978 6.666 0.9473 -0.7532 1.0148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11781 3402SOL HW211779 0.093 6.911 6.542 0.5799 -1.1541 1.4686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11782 3403SOL OW11780 1.747 5.669 6.092 0.4547 0.1513 0.7081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11783 3403SOL HW111781 1.712 5.686 6.000 -0.6288 -1.9572 0.6556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11784 3403SOL HW211782 1.833 5.717 6.105 0.5406 0.6359 -1.3400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11785 3404SOL OW11783 1.575 7.149 5.834 -0.3202 -0.2865 0.1014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11786 3404SOL HW111784 1.654 7.113 5.785 -0.3570 -1.9509 1.1815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11787 3404SOL HW211785 1.508 7.184 5.769 1.1327 0.8411 -0.8500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11788 3405SOL OW11786 1.519 6.349 6.263 0.1898 -0.2921 0.2924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11789 3405SOL HW111787 1.552 6.283 6.330 1.1468 0.0861 0.2223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11790 3405SOL HW211788 1.527 6.310 6.171 -0.3723 -0.5161 0.3361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11791 3406SOL OW11789 0.674 7.149 7.034 -0.5003 0.0479 -0.0181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11792 3406SOL HW111790 0.580 7.117 7.044 -0.6957 0.9128 1.2270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11793 3406SOL HW211791 0.677 7.249 7.044 0.5379 0.0417 -0.1059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11794 3407SOL OW11792 0.529 6.768 5.776 -0.0035 0.7839 0.2034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11795 3407SOL HW111793 0.448 6.823 5.796 0.7846 2.2283 -0.4898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11796 3407SOL HW211794 0.566 6.794 5.687 0.1761 -1.1667 -0.3360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11797 3408SOL OW11795 1.778 5.697 6.709 -0.3765 0.2757 0.4141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11798 3408SOL HW111796 1.843 5.672 6.638 -0.9810 0.0519 -0.0649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11799 3408SOL HW211797 1.690 5.720 6.668 -0.9349 -0.5159 1.1293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11800 3409SOL OW11798 0.236 5.875 6.214 0.0315 -0.0099 0.2168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11801 3409SOL HW111799 0.192 5.962 6.192 -0.1812 0.0796 0.9684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11802 3409SOL HW211800 0.256 5.871 6.312 -2.0051 -1.7128 0.6255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11803 3410SOL OW11801 0.958 7.163 5.500 -0.1834 -0.1572 0.2718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11804 3410SOL HW111802 0.909 7.080 5.476 -1.1960 -0.0931 1.9402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11805 3410SOL HW211803 0.990 7.157 5.595 0.2234 1.1285 0.2422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11806 3411SOL OW11804 0.856 6.722 6.731 0.5876 0.3382 0.3118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11807 3411SOL HW111805 0.868 6.765 6.820 0.1124 1.0776 0.0303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11808 3411SOL HW211806 0.805 6.784 6.671 0.7557 -0.2197 -0.4187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11809 3412SOL OW11807 1.195 6.427 5.642 -0.3701 -0.1769 0.2698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11810 3412SOL HW111808 1.174 6.478 5.558 -1.8021 1.4849 1.5461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11811 3412SOL HW211809 1.294 6.419 5.653 -0.1604 -1.0078 -1.8767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11812 3413SOL OW11810 0.393 6.689 6.793 -0.0656 0.8471 -0.6657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11813 3413SOL HW111811 0.432 6.781 6.789 0.6028 0.5811 -0.3947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11814 3413SOL HW211812 0.451 6.626 6.741 1.4306 -0.1011 1.9822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11815 3414SOL OW11813 1.560 6.558 6.758 -0.4050 0.3311 -0.2700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11816 3414SOL HW111814 1.551 6.534 6.854 -2.6580 2.3092 0.1008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11817 3414SOL HW211815 1.473 6.541 6.711 0.0552 1.2315 -1.5144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11818 3415SOL OW11816 1.118 6.650 6.145 -0.1200 -0.7486 0.1629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11819 3415SOL HW111817 1.140 6.565 6.192 -0.2888 -0.5936 0.5239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11820 3415SOL HW211818 1.108 6.631 6.047 -1.0199 -1.3212 0.3460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11821 3416SOL OW11819 0.817 5.909 6.405 -0.0369 -0.1148 0.1684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11822 3416SOL HW111820 0.728 5.871 6.381 0.4477 -1.4111 0.3592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11823 3416SOL HW211821 0.846 5.872 6.493 -0.3232 2.0729 1.2548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11824 3417SOL OW11822 0.797 6.778 5.905 -0.5905 0.0808 -0.7443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11825 3417SOL HW111823 0.865 6.718 5.863 -0.0094 -0.2284 0.5912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11826 3417SOL HW211824 0.706 6.748 5.879 -0.2593 -0.2974 -1.5126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11827 3418SOL OW11825 1.702 5.982 6.967 0.1878 -0.3285 -0.0579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11828 3418SOL HW111826 1.743 6.039 6.896 0.9647 0.1355 0.7466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11829 3418SOL HW211827 1.763 5.907 6.990 0.0340 -0.3580 0.2670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11830 3419SOL OW11828 0.308 6.938 5.820 -0.0923 -0.1326 -0.3330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11831 3419SOL HW111829 0.215 6.917 5.849 0.1289 0.2000 0.6806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11832 3419SOL HW211830 0.326 7.035 5.835 0.2812 -0.1041 -0.9302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11833 3420SOL OW11831 0.145 6.507 0.024 0.1205 0.2683 -0.6332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11834 3420SOL HW111832 0.100 6.447 0.090 -0.3656 -0.0040 -1.2087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11835 3420SOL HW211833 0.233 6.466 -0.003 0.1733 0.2246 -0.3987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11836 3421SOL OW11834 0.612 5.556 6.970 -0.1886 -0.0112 0.2192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11837 3421SOL HW111835 0.675 5.602 6.908 -0.1210 -0.8146 -0.3191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11838 3421SOL HW211836 0.591 5.616 7.047 -2.1587 2.0310 -1.7463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11839 3422SOL OW11837 7.107 5.826 5.409 -0.2169 0.3335 -0.5773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11840 3422SOL HW111838 7.084 5.756 5.341 -1.0885 2.0196 -2.0844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11841 3422SOL HW211839 7.066 5.800 5.497 -0.8651 -0.8468 -1.1921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11842 3423SOL OW11840 1.271 6.529 6.848 -0.8526 0.0594 -0.2312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11843 3423SOL HW111841 1.283 6.517 6.749 0.9341 -1.4515 0.1273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11844 3423SOL HW211842 1.268 6.627 6.869 1.1749 0.4652 -1.5419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11845 3424SOL OW11843 0.020 5.909 5.711 -0.1338 -0.5063 -0.2639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11846 3424SOL HW111844 0.106 5.902 5.762 -0.2772 -2.8111 -0.2269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11847 3424SOL HW211845 -0.014 5.817 5.691 -0.8347 0.3172 -3.3006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11848 3425SOL OW11846 1.257 6.863 5.660 0.1009 0.4737 0.8730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11849 3425SOL HW111847 1.239 6.776 5.615 -1.1370 0.5262 1.2184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11850 3425SOL HW211848 1.308 6.847 5.745 0.1985 0.1181 0.7458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11851 3426SOL OW11849 0.642 6.562 6.782 -0.7706 0.0655 -0.2880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11852 3426SOL HW111850 0.729 6.603 6.757 0.0802 -0.5920 1.4309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11853 3426SOL HW211851 0.624 6.580 6.879 -1.6051 -1.4400 -0.1418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11854 3427SOL OW11852 1.527 0.087 6.187 0.2524 -0.0889 -0.0930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11855 3427SOL HW111853 1.601 0.037 6.142 1.0392 0.8195 0.1503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11856 3427SOL HW211854 1.507 0.171 6.137 1.0391 0.8644 1.1085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11857 3428SOL OW11855 0.832 5.873 7.044 -0.2221 -0.0508 -0.3190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11858 3428SOL HW111856 0.853 5.804 6.975 1.2537 -2.3958 2.2609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11859 3428SOL HW211857 0.761 5.837 7.105 -2.0743 2.2844 -0.9524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11860 3429SOL OW11858 0.305 0.067 7.131 0.0158 -0.3504 -0.0756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11861 3429SOL HW111859 0.218 0.039 7.090 0.3769 1.1224 -2.0019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11862 3429SOL HW211860 0.375 -0.001 7.111 -0.1231 -0.2841 -0.8462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11863 3430SOL OW11861 1.825 6.326 6.578 0.4789 -0.4238 0.1490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11864 3430SOL HW111862 1.765 6.278 6.641 1.9601 -1.7715 0.6135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11865 3430SOL HW211863 1.773 6.358 6.499 -0.7017 -2.3523 0.0804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11866 3431SOL OW11864 1.252 5.940 6.009 -0.1676 0.0671 0.1413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11867 3431SOL HW111865 1.288 5.852 6.041 -0.2133 0.1340 0.3736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11868 3431SOL HW211866 1.329 6.000 5.985 -0.0500 0.7604 2.0735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11869 3432SOL OW11867 0.592 6.084 6.239 0.0652 0.1813 -0.1272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11870 3432SOL HW111868 0.615 6.055 6.146 -2.1405 0.1927 -0.7358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11871 3432SOL HW211869 0.594 6.005 6.300 1.0008 0.0779 -0.2774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11872 3433SOL OW11870 1.771 6.766 7.146 -0.2202 0.0465 -0.6331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11873 3433SOL HW111871 1.797 6.761 7.050 -0.9551 0.1374 -0.8417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11874 3433SOL HW211872 1.809 6.850 7.187 0.2209 -0.0703 -0.7995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11875 3434SOL OW11873 0.889 6.911 5.673 -0.2798 -0.2588 0.1240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11876 3434SOL HW111874 0.946 6.832 5.697 -1.3546 -1.2840 -0.6375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11877 3434SOL HW211875 0.823 6.928 5.747 -0.6194 -0.6144 -0.0963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11878 3435SOL OW11876 0.841 6.430 6.364 0.1299 -0.7434 -0.1355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11879 3435SOL HW111877 0.873 6.513 6.409 -0.8673 0.5058 -1.6562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11880 3435SOL HW211878 0.920 6.375 6.337 0.9478 0.9898 -1.4413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11881 3436SOL OW11879 1.201 6.645 5.456 -0.1884 0.7519 0.0809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11882 3436SOL HW111880 1.180 6.697 5.373 -0.2396 -1.7891 -1.6245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11883 3436SOL HW211881 1.300 6.626 5.460 0.2194 2.8754 1.9516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11884 3437SOL OW11882 1.939 0.030 6.190 -0.1192 1.0443 1.0881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11885 3437SOL HW111883 1.860 0.002 6.135 -0.4739 2.4648 0.8410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11886 3437SOL HW211884 2.023 0.008 6.141 -0.4219 1.7962 0.2048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11887 3438SOL OW11885 0.241 6.737 6.160 0.2319 -0.2655 0.3102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11888 3438SOL HW111886 0.173 6.700 6.224 -1.2367 0.9267 -0.4767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11889 3438SOL HW211887 0.250 6.836 6.175 3.3887 -0.6629 1.7633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11890 3439SOL OW11888 0.505 6.967 7.189 0.2086 -0.0294 0.3752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11891 3439SOL HW111889 0.514 6.872 7.158 0.7117 -0.2395 1.1117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11892 3439SOL HW211890 0.508 6.969 7.289 -0.8462 0.6687 0.4023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11893 3440SOL OW11891 1.811 5.996 6.700 0.1584 0.6948 -1.0200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11894 3440SOL HW111892 1.863 6.062 6.752 -1.3049 1.2696 -0.2206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11895 3440SOL HW211893 1.809 5.908 6.748 -0.9696 1.1499 -0.1811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11896 3441SOL OW11894 0.562 5.826 6.332 -0.1839 -0.0238 0.1768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11897 3441SOL HW111895 0.539 5.790 6.241 -0.9521 -0.0162 0.3595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11898 3441SOL HW211896 0.550 5.754 6.400 1.4095 -0.3319 0.1571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11899 3442SOL OW11897 1.742 6.935 6.614 0.4065 0.0919 -0.2463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11900 3442SOL HW111898 1.687 7.011 6.580 0.6840 -0.3622 -1.8182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11901 3442SOL HW211899 1.696 6.849 6.593 0.3648 -0.2025 1.0041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11902 3443SOL OW11900 0.331 6.000 6.665 -0.1747 -0.3397 0.1468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11903 3443SOL HW111901 0.380 5.964 6.744 2.7064 0.6265 -1.0573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11904 3443SOL HW211902 0.311 5.926 6.601 -1.5844 -0.9569 1.2624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11905 3444SOL OW11903 1.104 7.170 6.260 -0.3468 -0.1466 0.3725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11906 3444SOL HW111904 1.086 7.254 6.208 1.8427 -0.1419 -0.5053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11907 3444SOL HW211905 1.019 7.137 6.300 -1.5306 1.6893 -0.4570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11908 3445SOL OW11906 1.427 5.975 6.789 0.2533 -0.2163 0.2669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11909 3445SOL HW111907 1.502 6.004 6.849 0.6976 3.1225 -1.6619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11910 3445SOL HW211908 1.340 5.994 6.834 0.5237 -1.4506 1.3721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11911 3446SOL OW11909 0.895 5.656 6.560 -0.5096 -0.2742 0.4601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11912 3446SOL HW111910 0.905 5.575 6.502 -0.4813 1.2710 -1.8441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11913 3446SOL HW211911 0.984 5.702 6.568 -0.5634 -0.3384 1.5851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11914 3447SOL OW11912 1.002 6.658 5.746 -1.0187 -0.3181 -0.2655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11915 3447SOL HW111913 0.932 6.622 5.683 -0.3148 -0.5417 -0.9372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11916 3447SOL HW211914 1.020 6.591 5.818 -3.7360 0.9729 1.8029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11917 3448SOL OW11915 0.880 7.115 6.464 -0.0396 0.4991 -0.0439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11918 3448SOL HW111916 0.863 7.188 6.530 0.6120 0.7230 -0.1137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11919 3448SOL HW211917 0.951 7.054 6.499 0.0504 0.4106 -0.3742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11920 3449SOL OW11918 1.399 5.619 5.648 0.1932 -0.5133 0.1708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11921 3449SOL HW111919 1.400 5.545 5.715 0.6324 0.4847 1.2917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11922 3449SOL HW211920 1.310 5.664 5.649 0.5344 0.1607 0.8359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11923 3450SOL OW11921 1.353 6.036 6.309 -0.1258 0.6745 0.2155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11924 3450SOL HW111922 1.304 5.975 6.247 -0.1324 1.3132 -0.4160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11925 3450SOL HW211923 1.295 6.058 6.388 -0.1714 -0.0200 0.3789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11926 3451SOL OW11924 1.542 5.800 6.600 -0.6800 0.4732 0.6109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11927 3451SOL HW111925 1.476 5.852 6.654 -0.6201 0.5190 0.6398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11928 3451SOL HW211926 1.567 5.850 6.518 -0.7571 0.4116 0.5501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11929 3452SOL OW11927 7.243 6.382 5.717 0.0700 0.4362 0.2816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11930 3452SOL HW111928 7.282 6.413 5.630 -1.3132 1.9975 0.1628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11931 3452SOL HW211929 7.205 6.290 5.705 -1.5626 1.2554 -1.2958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11932 3453SOL OW11930 1.996 0.636 7.157 0.3359 0.1589 -0.2553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11933 3453SOL HW111931 1.942 0.666 7.236 0.9788 1.3968 -0.2794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11934 3453SOL HW211932 2.038 0.715 7.113 -0.7348 -0.3950 -2.3894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11935 3454SOL OW11933 1.878 0.280 1.053 -0.3710 0.1193 -0.6716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11936 3454SOL HW111934 1.916 0.218 1.122 -1.4062 -0.4393 -0.5824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11937 3454SOL HW211935 1.920 0.261 0.964 -2.4243 -2.5064 -1.2052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11938 3455SOL OW11936 1.947 0.281 0.765 0.3533 0.2791 0.2117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11939 3455SOL HW111937 1.861 0.237 0.740 0.1689 0.2095 0.9602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11940 3455SOL HW211938 2.023 0.236 0.716 0.0437 -0.1128 0.0894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11941 3456SOL OW11939 2.180 1.233 1.251 -0.7928 0.1081 0.4239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11942 3456SOL HW111940 2.090 1.200 1.278 -1.4052 0.9655 -0.5014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11943 3456SOL HW211941 2.170 1.305 1.183 0.5824 0.5630 0.6722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11944 3457SOL OW11942 3.411 1.536 0.631 -0.3751 -0.6629 -0.4287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11945 3457SOL HW111943 3.420 1.538 0.731 0.4421 0.2480 -0.5059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11946 3457SOL HW211944 3.460 1.458 0.594 0.3725 -0.3032 -0.2067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11947 3458SOL OW11945 3.049 0.565 0.718 0.5518 -0.0644 -0.2936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11948 3458SOL HW111946 3.137 0.612 0.722 1.3986 -1.6670 0.8217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11949 3458SOL HW211947 2.979 0.622 0.760 1.6341 0.0620 1.4003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11950 3459SOL OW11948 3.214 0.619 0.006 -0.3357 -0.0336 -0.0092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11951 3459SOL HW111949 3.264 0.679 -0.056 -1.4062 0.7871 -0.0936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11952 3459SOL HW211950 3.249 0.631 0.099 -0.4986 0.6679 -0.0399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11953 3460SOL OW11951 2.429 1.150 1.177 -0.2453 0.2265 0.2124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11954 3460SOL HW111952 2.347 1.190 1.218 0.4194 0.1927 1.6337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11955 3460SOL HW211953 2.472 1.217 1.117 1.1250 1.9548 2.9427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11956 3461SOL OW11954 2.628 0.627 1.932 -0.0809 -0.4967 -0.4525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11957 3461SOL HW111955 2.539 0.651 1.970 -1.0815 -0.2675 -2.7356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11958 3461SOL HW211956 2.690 0.705 1.940 -0.6448 -0.0480 -0.3916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11959 3462SOL OW11957 2.444 0.946 0.681 -0.5257 0.0717 -0.1241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11960 3462SOL HW111958 2.491 0.963 0.768 0.0241 2.1098 -0.7738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11961 3462SOL HW211959 2.348 0.925 0.698 -0.2547 -0.3275 1.0023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11962 3463SOL OW11960 2.509 1.246 1.843 -0.2004 0.3591 -0.3884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11963 3463SOL HW111961 2.536 1.275 1.935 -1.4899 0.1509 0.0832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11964 3463SOL HW211962 2.410 1.257 1.833 -0.1568 -0.1748 -1.5601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11965 3464SOL OW11963 2.128 1.418 1.061 0.4136 -0.6325 -0.5159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11966 3464SOL HW111964 2.035 1.400 1.027 0.3193 -0.1192 -0.5515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11967 3464SOL HW211965 2.190 1.430 0.984 0.1500 0.7799 -0.5353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11968 3465SOL OW11966 3.384 1.672 1.307 -0.2067 -0.1040 -0.1938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11969 3465SOL HW111967 3.444 1.737 1.260 1.2115 -0.5741 0.9115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11970 3465SOL HW211968 3.305 1.721 1.346 -0.2243 0.6176 -1.1061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11971 3466SOL OW11969 2.282 0.225 1.583 -0.4131 -0.2427 0.1951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11972 3466SOL HW111970 2.375 0.190 1.582 -0.6371 -0.9805 -2.8859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11973 3466SOL HW211971 2.218 0.151 1.564 -1.2424 0.9237 -1.9458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11974 3467SOL OW11972 3.288 0.394 0.607 -0.0981 -0.6671 -0.5065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11975 3467SOL HW111973 3.282 0.490 0.584 0.3487 -1.1307 -2.7263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11976 3467SOL HW211974 3.211 0.369 0.666 -0.2268 1.0013 0.0841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11977 3468SOL OW11975 2.310 1.628 0.516 -0.5370 -0.0891 -0.0842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11978 3468SOL HW111976 2.239 1.696 0.534 -0.4790 0.5478 -2.0199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11979 3468SOL HW211977 2.293 1.585 0.427 1.1093 -0.4128 -0.2708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11980 3469SOL OW11978 2.911 1.183 1.570 0.5877 0.7138 -0.8632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11981 3469SOL HW111979 2.866 1.194 1.659 2.5374 -2.5287 0.7226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11982 3469SOL HW211980 2.991 1.242 1.564 1.0436 0.2116 0.0462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11983 3470SOL OW11981 1.974 1.473 0.483 -0.6960 -0.5417 0.1708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11984 3470SOL HW111982 1.957 1.509 0.391 1.0625 -0.6263 -0.2083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11985 3470SOL HW211983 1.921 1.526 0.549 -0.0155 1.2184 -0.6292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11986 3471SOL OW11984 2.010 1.039 1.017 0.0523 1.2016 -0.2770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11987 3471SOL HW111985 2.019 0.979 1.097 -0.6176 -0.4359 -1.3734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11988 3471SOL HW211986 1.917 1.074 1.012 -0.0379 0.9254 -0.5801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11989 3472SOL OW11987 2.500 1.689 1.642 -0.4297 -0.3711 0.1138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11990 3472SOL HW111988 2.407 1.718 1.620 -0.2687 -0.2660 -0.4442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11991 3472SOL HW211989 2.565 1.733 1.580 0.1491 0.6908 1.4192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11992 3473SOL OW11990 2.315 0.894 0.146 -0.0363 -0.7549 0.3695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11993 3473SOL HW111991 2.399 0.947 0.144 -0.5680 0.0988 -1.0679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11994 3473SOL HW211992 2.275 0.898 0.237 -1.3998 3.6294 -0.1902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11995 3474SOL OW11993 3.351 7.224 1.549 -0.0293 -0.5382 0.5749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11996 3474SOL HW111994 3.413 7.218 1.628 0.5946 -0.0812 0.1304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11997 3474SOL HW211995 3.288 7.300 1.562 0.3053 -0.2492 0.4729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11998 3475SOL OW11996 1.837 0.511 0.702 -0.5250 0.3082 -0.1183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
11999 3475SOL HW111997 1.886 0.425 0.715 -0.5894 0.1446 -0.8778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12000 3475SOL HW211998 1.854 0.572 0.779 0.7515 0.1911 -0.2779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12001 3476SOL OW11999 3.605 1.655 0.274 0.0158 -0.0966 0.0904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12002 3476SOL HW112000 3.651 1.626 0.358 0.5983 -1.1367 -0.5666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12003 3476SOL HW212001 3.627 1.751 0.254 0.8476 -0.2068 0.4747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12004 3477SOL OW12002 1.753 1.521 0.195 -0.2781 0.5577 -0.0363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12005 3477SOL HW112003 1.675 1.545 0.253 0.0557 0.1555 0.6017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12006 3477SOL HW212004 1.826 1.588 0.207 -0.1330 0.3677 0.1748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12007 3478SOL OW12005 3.452 1.047 0.695 -0.0995 0.4038 -0.2865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12008 3478SOL HW112006 3.440 0.994 0.611 -3.0514 -1.3416 1.1041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12009 3478SOL HW212007 3.414 1.139 0.682 -0.0393 0.3383 -0.9943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12010 3479SOL OW12008 3.378 1.266 0.403 -0.2215 -0.1479 0.0331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12011 3479SOL HW112009 3.399 1.340 0.340 -1.0785 -0.9766 -1.2755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12012 3479SOL HW212010 3.460 1.241 0.454 0.4801 0.5790 -0.7146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12013 3480SOL OW12011 1.734 0.751 1.638 -0.2895 -0.3303 -0.1254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12014 3480SOL HW112012 1.824 0.787 1.663 -0.4654 0.3181 -0.3964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12015 3480SOL HW212013 1.688 0.817 1.578 -1.2532 -0.2930 0.6333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12016 3481SOL OW12014 2.331 1.342 0.840 0.2021 0.6594 0.1838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12017 3481SOL HW112015 2.263 1.272 0.859 1.1163 -0.3861 -0.2549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12018 3481SOL HW212016 2.364 1.332 0.746 1.8689 0.3013 0.7617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12019 3482SOL OW12017 3.265 1.258 1.365 -0.0919 -0.5044 -0.4862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12020 3482SOL HW112018 3.167 1.244 1.352 -0.1717 -0.3466 -0.0801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12021 3482SOL HW212019 3.293 1.217 1.452 -0.1865 1.1343 0.3763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12022 3483SOL OW12020 2.769 7.023 0.387 0.0610 0.4040 0.2270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12023 3483SOL HW112021 2.696 6.955 0.379 -1.5049 1.9003 1.0124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12024 3483SOL HW212022 2.781 7.070 0.300 -1.7107 1.8321 0.6932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12025 3484SOL OW12023 2.042 0.901 1.270 -0.7720 -0.1784 0.0928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12026 3484SOL HW112024 2.124 0.880 1.322 -0.3451 -0.9924 -0.8789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12027 3484SOL HW212025 1.988 0.817 1.258 -0.2536 -0.2813 -1.7855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12028 3485SOL OW12026 3.291 0.961 0.460 0.6978 0.2943 0.6041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12029 3485SOL HW112027 3.201 0.919 0.471 0.4977 0.4223 -0.4069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12030 3485SOL HW212028 3.286 1.058 0.485 0.5115 0.3397 0.3970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12031 3486SOL OW12029 3.204 1.819 1.434 0.4375 0.3062 0.0685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12032 3486SOL HW112030 3.147 1.902 1.439 0.1375 0.1558 -0.6810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12033 3486SOL HW212031 3.155 1.743 1.476 0.8608 0.5798 1.0777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12034 3487SOL OW12032 2.357 0.331 1.857 -0.3406 -0.2034 -0.1823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12035 3487SOL HW112033 2.289 0.404 1.865 -0.8041 -0.5183 -1.0057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12036 3487SOL HW212034 2.328 0.267 1.785 0.1261 -1.1195 0.4263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12037 3488SOL OW12035 3.331 1.482 0.906 -0.1025 -0.1525 0.5620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12038 3488SOL HW112036 3.275 1.549 0.954 -0.9089 -0.7138 0.4223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12039 3488SOL HW212037 3.293 1.391 0.921 0.8263 -0.5507 0.5326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12040 3489SOL OW12038 3.464 1.809 0.538 -0.9569 0.2502 0.0401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12041 3489SOL HW112039 3.371 1.842 0.523 -1.4799 -1.0143 0.3761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12042 3489SOL HW212040 3.464 1.709 0.540 0.0402 0.2409 2.3269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12043 3490SOL OW12041 2.425 0.666 0.297 -0.1750 -0.3533 0.0878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12044 3490SOL HW112042 2.421 0.736 0.226 -0.1678 -0.8045 -0.3637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12045 3490SOL HW212043 2.388 0.580 0.261 0.3614 -0.7355 0.4405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12046 3491SOL OW12044 3.116 0.289 1.008 -0.3659 0.3944 -0.2564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12047 3491SOL HW112045 3.081 0.271 1.100 -0.1066 -0.1657 -0.2690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12048 3491SOL HW212046 3.213 0.312 1.014 -0.8339 2.6760 -0.1342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12049 3492SOL OW12047 3.367 1.529 0.253 0.0895 0.3078 0.5738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12050 3492SOL HW112048 3.442 1.593 0.269 0.1901 0.0359 1.2085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12051 3492SOL HW212049 3.310 1.563 0.178 0.7301 0.6113 0.2201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12052 3493SOL OW12050 2.726 0.517 1.478 0.7252 -0.2044 -0.1780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12053 3493SOL HW112051 2.667 0.522 1.559 0.9192 0.4353 -0.0654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12054 3493SOL HW212052 2.768 0.426 1.472 -2.7851 -1.8799 -2.0688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12055 3494SOL OW12053 3.242 0.572 1.363 -0.3037 0.5141 0.0968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12056 3494SOL HW112054 3.268 0.485 1.405 -1.5856 1.1381 2.3732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12057 3494SOL HW212055 3.315 0.639 1.377 0.5939 -0.0761 -1.4759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12058 3495SOL OW12056 2.630 0.898 1.555 0.5952 0.0252 -0.5319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12059 3495SOL HW112057 2.683 0.847 1.488 1.0967 -0.2867 0.0938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12060 3495SOL HW212058 2.569 0.962 1.508 0.2860 -0.8264 -1.3038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12061 3496SOL OW12059 2.796 0.408 1.118 0.1572 0.0106 -0.0417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12062 3496SOL HW112060 2.733 0.479 1.151 0.9821 1.6298 -1.7569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12063 3496SOL HW212061 2.743 0.331 1.081 -0.8536 1.2856 -1.3439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12064 3497SOL OW12062 2.986 0.550 0.456 0.7537 -0.0442 0.2075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12065 3497SOL HW112063 2.998 0.524 0.552 -1.4927 1.1214 0.8651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12066 3497SOL HW212064 2.888 0.556 0.435 1.2040 0.7058 -1.8968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12067 3498SOL OW12065 1.887 0.700 0.913 0.2430 -0.0112 0.1555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12068 3498SOL HW112066 1.968 0.693 0.973 -0.8244 2.0303 1.9582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12069 3498SOL HW212067 1.908 0.758 0.835 1.3668 -1.9310 -1.0460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12070 3499SOL OW12068 2.058 1.937 1.494 0.0374 0.3907 -0.1889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12071 3499SOL HW112069 2.061 2.015 1.557 -2.1609 0.9226 -0.6536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12072 3499SOL HW212070 2.038 1.969 1.402 -0.2567 -0.6506 -0.5019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12073 3500SOL OW12071 2.621 0.346 0.275 -0.5067 -0.3309 0.3864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12074 3500SOL HW112072 2.526 0.364 0.249 -0.5170 -1.1162 -0.1516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12075 3500SOL HW212073 2.631 0.250 0.303 0.6039 -0.9975 -1.9701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12076 3501SOL OW12074 3.390 0.537 1.683 0.6158 -0.2533 -0.0343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12077 3501SOL HW112075 3.393 0.609 1.613 0.6044 -1.6332 -1.5274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12078 3501SOL HW212076 3.388 0.448 1.638 -1.6578 -1.1690 1.7031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12079 3502SOL OW12077 3.195 1.217 0.604 -0.6583 0.6360 0.3358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12080 3502SOL HW112078 3.258 1.272 0.549 -1.1517 0.2240 -0.6804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12081 3502SOL HW212079 3.101 1.240 0.578 -0.8688 -0.5777 -0.0119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12082 3503SOL OW12080 2.350 0.074 1.156 0.4258 0.2058 0.6101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12083 3503SOL HW112081 2.418 0.008 1.190 0.6091 0.1949 0.2186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12084 3503SOL HW212082 2.392 0.163 1.145 0.5694 0.0266 -0.3490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12085 3504SOL OW12083 2.688 1.488 0.502 -0.5967 0.1265 -0.2795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12086 3504SOL HW112084 2.617 1.449 0.560 1.3834 0.3165 2.4506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12087 3504SOL HW212085 2.662 1.580 0.473 -0.9142 0.7412 1.8268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12088 3505SOL OW12086 2.154 1.786 0.779 0.2882 -0.5583 0.2338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12089 3505SOL HW112087 2.226 1.729 0.820 0.9434 -0.4251 -0.6883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12090 3505SOL HW212088 2.193 1.874 0.752 -0.1361 -0.6061 -0.5685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12091 3506SOL OW12089 3.582 1.081 0.967 -0.1781 -0.3122 0.4720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12092 3506SOL HW112090 3.582 1.082 0.867 0.8823 -0.3683 0.4640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12093 3506SOL HW212091 3.488 1.073 1.000 -0.4118 -2.3107 -0.5383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12094 3507SOL OW12092 3.092 1.577 1.513 0.0422 0.5082 0.1919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12095 3507SOL HW112093 3.124 1.495 1.561 0.7772 1.1213 0.7679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12096 3507SOL HW212094 3.002 1.559 1.474 0.6927 -0.9735 -0.7344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12097 3508SOL OW12095 2.228 0.957 0.401 0.3304 -0.6037 -0.3068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12098 3508SOL HW112096 2.303 1.021 0.414 -0.7477 1.0913 -1.9455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12099 3508SOL HW212097 2.211 0.908 0.486 2.3529 -0.0360 0.4868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12100 3509SOL OW12098 3.505 0.786 0.797 -0.0667 -0.2668 -0.0627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12101 3509SOL HW112099 3.588 0.787 0.852 -0.8848 -1.3492 1.2633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12102 3509SOL HW212100 3.472 0.880 0.785 0.5123 0.0490 0.7092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12103 3510SOL OW12101 2.194 1.446 2.045 0.2733 -0.1644 0.4875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12104 3510SOL HW112102 2.206 1.423 1.948 1.5143 1.3768 0.2159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12105 3510SOL HW212103 2.111 1.404 2.080 -0.6489 -0.0910 -1.4804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12106 3511SOL OW12104 2.657 1.741 0.206 -0.6921 -0.0268 0.4572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12107 3511SOL HW112105 2.624 1.751 0.300 0.0629 1.3681 0.6103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12108 3511SOL HW212106 2.718 1.662 0.201 -0.8107 -0.1700 1.1230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12109 3512SOL OW12107 1.982 0.139 1.447 0.3989 0.1754 -0.3778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12110 3512SOL HW112108 1.920 0.213 1.422 -0.7729 -1.0336 -1.1337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12111 3512SOL HW212109 1.970 0.116 1.544 -1.1010 -0.7157 -0.7413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12112 3513SOL OW12110 3.446 1.270 0.059 -0.5052 -0.3589 -0.0359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12113 3513SOL HW112111 3.452 1.361 0.101 0.0915 -1.0005 1.3568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12114 3513SOL HW212112 3.355 1.232 0.074 -0.6186 -0.1662 -0.2374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12115 3514SOL OW12113 2.229 1.891 7.255 -0.7076 0.0271 -0.2492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12116 3514SOL HW112114 2.236 1.964 7.323 1.1583 -0.3861 0.0404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12117 3514SOL HW212115 2.304 1.826 7.267 -1.1440 -0.8247 -1.8197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12118 3515SOL OW12116 3.061 0.075 0.418 -0.4684 0.3103 0.3626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12119 3515SOL HW112117 3.053 0.089 0.320 -0.7071 0.9578 0.4745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12120 3515SOL HW212118 3.118 0.146 0.458 -1.4808 0.8476 0.8884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12121 3516SOL OW12119 2.258 1.789 1.092 0.5331 -0.0681 0.5044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12122 3516SOL HW112120 2.216 1.717 1.146 1.4763 -1.8321 -1.0079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12123 3516SOL HW212121 2.317 1.749 1.022 -1.6595 1.9369 -2.8048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12124 3517SOL OW12122 2.816 1.821 0.833 -0.0853 0.4652 -0.0334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12125 3517SOL HW112123 2.906 1.852 0.802 -0.1032 -0.4626 -1.0554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12126 3517SOL HW212124 2.745 1.871 0.784 -0.2018 2.1170 1.6601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12127 3518SOL OW12125 2.185 0.826 0.656 -0.2699 0.5800 0.6223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12128 3518SOL HW112126 2.204 0.729 0.643 1.0871 1.0170 -0.9503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12129 3518SOL HW212127 2.090 0.837 0.687 -1.4506 -1.1105 -1.9901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12130 3519SOL OW12128 3.170 0.134 1.675 0.2591 -0.2414 -0.4026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12131 3519SOL HW112129 3.243 0.183 1.723 1.1849 -0.5195 -1.5019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12132 3519SOL HW212130 3.108 0.199 1.632 0.5046 -0.0187 -0.4191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12133 3520SOL OW12131 2.305 0.111 0.305 -0.5902 -0.5212 0.1466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12134 3520SOL HW112132 2.308 0.124 0.206 0.7190 0.6884 0.3112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12135 3520SOL HW212133 2.394 0.077 0.337 -0.8100 -0.3296 0.9855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12136 3521SOL OW12134 2.712 0.161 1.788 -0.3671 -0.6192 0.0823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12137 3521SOL HW112135 2.783 0.102 1.750 0.2191 -0.2174 0.5551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12138 3521SOL HW212136 2.669 0.116 1.866 -1.4892 -1.3939 -0.9414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12139 3522SOL OW12137 2.625 1.428 1.241 0.2231 0.4794 -0.2731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12140 3522SOL HW112138 2.601 1.380 1.157 -1.6394 -0.5568 0.7952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12141 3522SOL HW212139 2.643 1.362 1.313 -1.4198 1.3214 0.9789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12142 3523SOL OW12140 3.044 0.750 1.296 0.1844 -0.3278 0.0644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12143 3523SOL HW112141 3.096 0.676 1.339 1.5583 -0.5137 -1.7767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12144 3523SOL HW212142 3.058 0.835 1.347 0.8123 -0.7776 0.6637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12145 3524SOL OW12143 2.537 1.314 1.008 0.4409 -0.6668 -0.0128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12146 3524SOL HW112144 2.612 1.303 0.942 -0.0042 -1.0492 -0.4666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12147 3524SOL HW212145 2.455 1.343 0.959 0.3217 -0.1409 0.5003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12148 3525SOL OW12146 2.819 0.617 0.919 -0.0018 -0.3485 -0.4566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12149 3525SOL HW112147 2.737 0.596 0.865 -0.8487 1.3435 0.0973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12150 3525SOL HW212148 2.830 0.548 0.990 -0.1757 -1.3303 -1.3554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12151 3526SOL OW12149 2.157 7.250 0.494 0.2072 0.2346 -0.1391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12152 3526SOL HW112150 2.154 7.321 0.565 3.7955 -0.3153 0.7344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12153 3526SOL HW212151 2.186 7.291 0.408 0.3674 0.1352 -0.1286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12154 3527SOL OW12152 3.173 1.176 0.102 0.3159 -0.1079 -0.4092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12155 3527SOL HW112153 3.139 1.095 0.054 2.0570 -0.0485 -1.8483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12156 3527SOL HW212154 3.099 1.217 0.155 -0.2425 -3.5982 1.8331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12157 3528SOL OW12155 1.963 7.193 0.156 0.5170 0.0194 -0.2254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12158 3528SOL HW112156 1.986 7.284 0.121 -1.2339 0.3271 -0.6544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12159 3528SOL HW212157 1.971 7.193 0.256 -0.1876 0.8666 -0.1642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12160 3529SOL OW12158 2.515 0.349 0.605 -0.2035 -0.1678 1.2426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12161 3529SOL HW112159 2.480 0.332 0.513 0.6112 0.4798 0.7924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12162 3529SOL HW212160 2.555 0.265 0.642 -3.4030 -1.3501 2.3605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12163 3530SOL OW12161 2.786 0.755 1.377 0.1607 -0.2248 0.1563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12164 3530SOL HW112162 2.773 0.675 1.436 -0.3742 0.3156 0.7933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12165 3530SOL HW212163 2.876 0.750 1.333 -0.0401 -1.3809 -0.1451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12166 3531SOL OW12164 3.000 1.564 0.719 0.3391 0.1851 0.1329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12167 3531SOL HW112165 3.008 1.664 0.721 -1.0121 0.3310 -0.6474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12168 3531SOL HW212166 3.070 1.526 0.659 0.9129 0.6529 0.4967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12169 3532SOL OW12167 2.166 1.133 0.807 -0.2604 0.3268 0.0302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12170 3532SOL HW112168 2.127 1.099 0.892 1.4041 -2.5098 -0.2136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12171 3532SOL HW212169 2.114 1.097 0.729 1.9374 -2.6227 -0.2559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12172 3533SOL OW12170 3.072 1.843 0.730 0.5959 0.2369 -0.2440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12173 3533SOL HW112171 3.104 1.838 0.635 0.8425 1.3870 -0.2363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12174 3533SOL HW212172 3.150 1.860 0.790 0.2569 0.9725 0.0010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12175 3534SOL OW12173 2.696 0.624 0.119 -0.1106 -0.2045 0.1453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12176 3534SOL HW112174 2.672 0.611 0.215 -1.2388 0.8899 0.0286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12177 3534SOL HW212175 2.796 0.622 0.109 0.1616 2.0022 1.7250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12178 3535SOL OW12176 1.900 0.570 1.522 0.5949 0.3452 -0.3402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12179 3535SOL HW112177 1.979 0.537 1.573 0.8519 -0.3281 -1.1602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12180 3535SOL HW212178 1.829 0.600 1.586 0.8471 -0.6292 0.4104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12181 3536SOL OW12179 2.313 0.396 1.388 -0.5649 0.1785 0.2475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12182 3536SOL HW112180 2.327 0.333 1.464 -0.2652 -0.2370 -0.1432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12183 3536SOL HW212181 2.366 0.365 1.309 -2.0384 -0.2384 -0.6088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12184 3537SOL OW12182 2.582 0.552 0.794 -0.3193 0.2383 0.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12185 3537SOL HW112183 2.549 0.598 0.712 -2.8327 2.2375 2.1188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12186 3537SOL HW212184 2.540 0.462 0.801 -1.1169 0.5774 -0.1127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12187 3538SOL OW12185 2.608 0.117 0.726 0.0085 0.7433 -0.4668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12188 3538SOL HW112186 2.701 0.113 0.690 -0.6893 -0.9552 -2.2703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12189 3538SOL HW212187 2.575 0.024 0.743 -1.5248 1.2898 -0.3572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12190 3539SOL OW12188 3.211 1.239 0.885 -0.3524 0.1026 0.1200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12191 3539SOL HW112189 3.125 1.207 0.925 0.5323 -0.2518 1.8463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12192 3539SOL HW212190 3.211 1.219 0.787 -1.0477 -2.6239 0.5911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12193 3540SOL OW12191 3.320 0.752 1.170 -0.3001 -0.4883 0.4395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12194 3540SOL HW112192 3.223 0.738 1.150 -0.2353 0.4600 -0.6012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12195 3540SOL HW212193 3.375 0.699 1.106 -0.1163 -1.5367 1.4363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12196 3541SOL OW12194 3.560 0.853 0.473 -0.0088 -0.1032 0.0297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12197 3541SOL HW112195 3.598 0.786 0.536 -1.1942 -0.7786 0.0661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12198 3541SOL HW212196 3.460 0.845 0.472 -0.2849 2.3313 0.7655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12199 3542SOL OW12197 2.329 1.238 0.313 0.1017 0.4941 1.0680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12200 3542SOL HW112198 2.232 1.234 0.340 0.4258 0.1422 2.2607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12201 3542SOL HW212199 2.336 1.230 0.214 -1.0146 -0.8959 1.0658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12202 3543SOL OW12200 3.636 1.311 0.506 0.1581 -0.0112 -0.6650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12203 3543SOL HW112201 3.687 1.323 0.591 0.3183 2.2111 -1.0068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12204 3543SOL HW212202 3.699 1.286 0.432 0.8282 2.5153 -1.0407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12205 3544SOL OW12203 2.710 0.245 7.215 0.0799 -0.3093 0.2615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12206 3544SOL HW112204 2.766 0.270 7.294 0.7876 -1.5538 0.1897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12207 3544SOL HW212205 2.769 0.212 7.142 -0.6596 -0.3941 -0.3113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12208 3545SOL OW12206 2.362 0.385 0.229 0.1625 0.2773 -0.1149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12209 3545SOL HW112207 2.294 0.347 0.292 -0.2057 -0.5719 -0.9972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12210 3545SOL HW212208 2.318 0.405 0.141 0.9951 -0.0235 -0.6043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12211 3546SOL OW12209 3.424 1.374 1.614 0.3237 0.2868 -0.2791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12212 3546SOL HW112210 3.428 1.275 1.628 -0.1379 0.2520 -0.4014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12213 3546SOL HW212211 3.515 1.413 1.630 0.3944 -0.0875 0.2673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12214 3547SOL OW12212 2.758 1.212 1.366 -0.2841 -0.3050 -0.5042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12215 3547SOL HW112213 2.820 1.187 1.440 -0.6517 -0.7794 -0.3564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12216 3547SOL HW212214 2.748 1.136 1.302 -0.9526 -0.3398 -0.3643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12217 3548SOL OW12215 3.501 1.696 1.589 0.5313 0.6564 -0.1275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12218 3548SOL HW112216 3.473 1.688 1.493 -0.0190 -2.8674 0.1629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12219 3548SOL HW212217 3.561 1.619 1.612 -1.1370 0.0768 2.8451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12220 3549SOL OW12218 2.991 1.490 1.215 0.4602 0.2121 -0.5616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12221 3549SOL HW112219 2.908 1.523 1.259 0.3370 -0.5193 -0.2385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12222 3549SOL HW212220 2.967 1.441 1.131 0.6279 0.7220 -0.9148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12223 3550SOL OW12221 3.345 1.155 1.104 -0.4399 0.1390 -0.2452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12224 3550SOL HW112222 3.316 1.218 1.176 2.7497 2.2153 -0.5477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12225 3550SOL HW212223 3.288 1.168 1.023 -2.4766 -0.4478 1.0124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12226 3551SOL OW12224 2.743 0.107 1.373 0.2955 -0.2903 0.1841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12227 3551SOL HW112225 2.788 0.096 1.284 -2.5893 2.7478 -1.9272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12228 3551SOL HW212226 2.805 0.153 1.436 2.5363 -2.8158 -0.0063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12229 3552SOL OW12227 2.655 1.008 1.783 -0.2614 -0.6095 0.3375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12230 3552SOL HW112228 2.584 1.078 1.787 1.6611 1.5538 -0.9712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12231 3552SOL HW212229 2.646 0.956 1.698 1.1905 1.4924 -1.2153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12232 3553SOL OW12230 2.535 1.026 0.439 0.2820 0.6310 -0.5038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12233 3553SOL HW112231 2.504 1.006 0.532 0.8237 2.3818 0.0881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12234 3553SOL HW212232 2.615 0.970 0.418 -0.0018 0.0321 -0.0226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12235 3554SOL OW12233 2.246 0.789 1.399 0.4005 0.5519 -0.2780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12236 3554SOL HW112234 2.305 0.843 1.459 0.7807 0.8563 -0.9128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12237 3554SOL HW212235 2.240 0.696 1.433 -0.1471 0.9492 0.7547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12238 3555SOL OW12236 3.024 0.395 1.259 -0.1663 0.0872 0.2599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12239 3555SOL HW112237 3.088 0.471 1.259 -1.2528 1.1496 2.8185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12240 3555SOL HW212238 2.942 0.420 1.208 1.1147 -1.0908 -2.5923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12241 3556SOL OW12239 1.961 1.673 1.455 0.0656 -0.3025 0.0268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12242 3556SOL HW112240 2.034 1.631 1.401 0.5558 0.1975 0.2888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12243 3556SOL HW212241 1.987 1.767 1.478 -1.7513 0.7772 -2.0299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12244 3557SOL OW12242 1.983 1.110 0.591 -0.7499 0.6738 -0.1121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12245 3557SOL HW112243 1.928 1.188 0.622 -0.9925 1.1062 -1.5581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12246 3557SOL HW212244 2.045 1.139 0.519 -0.6493 -0.4126 -0.4882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12247 3558SOL OW12245 2.472 0.333 1.164 0.3345 -0.3407 -0.1326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12248 3558SOL HW112246 2.500 0.427 1.179 -0.1167 -0.1680 -0.3639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12249 3558SOL HW212247 2.545 0.284 1.116 0.9604 -0.3690 0.8270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12250 3559SOL OW12248 2.965 1.375 0.463 -0.5214 0.0423 -0.3892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12251 3559SOL HW112249 3.031 1.450 0.454 -0.1185 0.1271 2.4419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12252 3559SOL HW212250 2.877 1.411 0.494 -0.1979 -0.6544 1.4335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12253 3560SOL OW12251 3.202 1.644 1.100 0.1512 -0.3118 -0.0455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12254 3560SOL HW112252 3.270 1.648 1.173 -0.0614 0.9588 0.1228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12255 3560SOL HW212253 3.118 1.604 1.135 0.2077 -0.1488 0.2824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12256 3561SOL OW12254 3.421 0.971 0.161 -0.3169 0.5371 0.2132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12257 3561SOL HW112255 3.517 0.984 0.187 -0.3889 0.4520 0.5234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12258 3561SOL HW212256 3.365 1.041 0.206 -0.5237 0.0009 0.7951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12259 3562SOL OW12257 2.148 1.589 1.280 -0.0182 0.4135 -0.1480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12260 3562SOL HW112258 2.124 1.511 1.223 0.4487 -0.0188 0.2338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12261 3562SOL HW212259 2.246 1.586 1.302 0.2231 1.6516 -0.9474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12262 3563SOL OW12260 2.115 0.442 1.648 0.1471 0.2072 -0.5896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12263 3563SOL HW112261 2.165 0.526 1.668 3.5041 -1.4796 -1.2377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12264 3563SOL HW212262 2.179 0.371 1.618 -2.1952 -3.2129 1.6951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12265 3564SOL OW12263 3.393 0.764 1.546 0.7260 -0.2251 0.1633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12266 3564SOL HW112264 3.329 0.814 1.604 -0.4215 -2.2461 0.7377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12267 3564SOL HW212265 3.476 0.819 1.532 0.3599 0.9828 2.3509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12268 3565SOL OW12266 2.835 7.164 1.695 0.3490 0.0990 0.1787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12269 3565SOL HW112267 2.755 7.114 1.729 1.0458 -1.5990 -0.5306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12270 3565SOL HW212268 2.915 7.141 1.749 0.7375 0.2450 -0.3202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12271 3566SOL OW12269 2.379 7.219 1.910 0.0219 0.1439 -0.5110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12272 3566SOL HW112270 2.328 7.231 1.995 -1.6420 -0.7594 -1.3220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12273 3566SOL HW212271 2.315 7.199 1.836 1.4558 0.5644 -1.9233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12274 3567SOL OW12272 2.320 0.853 1.111 -0.8198 -0.3173 -0.5359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12275 3567SOL HW112273 2.263 0.926 1.072 -1.0446 -0.5513 -0.6525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12276 3567SOL HW212274 2.317 0.858 1.211 1.4712 1.6297 -0.4686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12277 3568SOL OW12275 3.014 1.096 1.010 -0.3901 -0.0783 0.5304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12278 3568SOL HW112276 3.023 0.997 1.017 1.2777 -0.0475 -0.7547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12279 3568SOL HW212277 2.923 1.119 0.976 -0.3792 -1.2230 -0.3095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12280 3569SOL OW12278 2.877 0.297 0.157 -0.4492 -0.1801 -0.4166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12281 3569SOL HW112279 2.946 0.234 0.193 1.2282 2.3533 1.1826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12282 3569SOL HW212280 2.814 0.324 0.230 -1.8950 -0.8390 -1.3602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12283 3570SOL OW12281 2.105 0.177 1.222 0.4596 -0.3064 -0.3849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12284 3570SOL HW112282 2.082 0.172 1.319 0.9214 -0.2317 -0.2692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12285 3570SOL HW212283 2.189 0.126 1.205 0.9797 0.5756 -0.5443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12286 3571SOL OW12284 1.765 1.490 1.162 0.3051 -0.1204 0.0557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12287 3571SOL HW112285 1.741 1.428 1.236 -1.9293 1.8379 1.1173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12288 3571SOL HW212286 1.796 1.577 1.199 1.7310 0.0205 -1.3693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12289 3572SOL OW12287 2.553 0.741 1.041 -0.0589 -0.4809 0.4490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12290 3572SOL HW112288 2.560 0.677 0.964 1.1727 0.6442 -0.4267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12291 3572SOL HW212289 2.465 0.788 1.039 -0.0038 -0.4103 -0.3155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12292 3573SOL OW12290 3.370 1.092 1.603 -0.3041 -0.4192 -0.4596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12293 3573SOL HW112291 3.440 1.045 1.550 0.4163 -0.6821 0.6904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12294 3573SOL HW212292 3.381 1.071 1.700 -1.9004 -0.3607 -0.2307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12295 3574SOL OW12293 2.178 0.156 0.712 -0.1586 0.1792 -0.5313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12296 3574SOL HW112294 2.274 0.184 0.710 -0.4692 1.5522 0.9998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12297 3574SOL HW212295 2.162 0.100 0.794 -0.6229 -0.2596 -0.9167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12298 3575SOL OW12296 3.305 0.708 0.255 -0.3936 0.1127 -0.3733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12299 3575SOL HW112297 3.233 0.718 0.324 2.2478 -1.3095 2.8354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12300 3575SOL HW212298 3.354 0.795 0.246 -0.6748 0.2740 -0.3573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12301 3576SOL OW12299 2.913 0.848 1.042 0.1897 -0.4783 0.4928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12302 3576SOL HW112300 2.930 0.813 1.134 -2.6323 -1.6678 0.6625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12303 3576SOL HW212301 2.873 0.776 0.986 0.3720 0.6838 -1.2001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12304 3577SOL OW12302 2.734 1.408 1.556 -0.2804 0.2159 -0.9352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12305 3577SOL HW112303 2.762 1.497 1.519 2.5040 0.5217 1.5157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12306 3577SOL HW212304 2.753 1.336 1.489 -0.7782 1.2284 -2.2175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12307 3578SOL OW12305 3.686 1.501 1.600 0.2433 0.3644 -0.5952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12308 3578SOL HW112306 3.732 1.501 1.511 0.6102 1.3779 -0.4110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12309 3578SOL HW212307 3.749 1.468 1.670 0.1289 0.0967 -0.6156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12310 3579SOL OW12308 1.983 0.813 1.732 0.1197 -0.5629 0.2393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12311 3579SOL HW112309 2.070 0.860 1.749 0.9095 -2.1184 0.6722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12312 3579SOL HW212310 1.968 0.743 1.802 -1.0333 -0.9587 -0.3683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12313 3580SOL OW12311 2.973 0.516 7.256 0.6778 -0.3297 -0.6925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12314 3580SOL HW112312 3.056 0.566 7.276 0.7847 -0.9997 0.6082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12315 3580SOL HW212313 2.960 0.443 7.323 -0.4739 -0.8252 -1.4138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12316 3581SOL OW12314 3.098 0.969 7.183 -0.2363 0.3240 -0.1832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12317 3581SOL HW112315 3.076 0.998 7.090 -2.7484 -0.3031 0.1613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12318 3581SOL HW212316 3.047 0.887 7.206 0.4547 0.3785 1.7235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12319 3582SOL OW12317 2.953 1.401 0.962 -0.8013 0.6748 -0.0887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12320 3582SOL HW112318 2.889 1.330 0.934 -0.0886 0.4519 -1.2385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12321 3582SOL HW212319 2.989 1.447 0.880 1.3235 0.0666 0.4469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12322 3583SOL OW12320 2.109 0.654 1.017 0.1398 -0.8357 0.1046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12323 3583SOL HW112321 2.197 0.702 1.022 0.5518 -1.6831 1.4085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12324 3583SOL HW212322 2.100 0.592 1.094 -1.7587 -0.5506 0.1602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12325 3584SOL OW12323 2.064 0.468 1.204 -0.4535 0.6993 -0.7639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12326 3584SOL HW112324 2.031 0.387 1.156 -1.3860 0.2700 0.5593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12327 3584SOL HW212325 2.123 0.440 1.280 0.1169 1.3221 -0.9665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12328 3585SOL OW12326 3.009 0.403 1.679 0.7065 0.1251 -0.3073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12329 3585SOL HW112327 2.932 0.398 1.742 0.3753 0.4631 -0.6798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12330 3585SOL HW212328 3.066 0.481 1.703 1.1176 -0.3113 0.1670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12331 3586SOL OW12329 2.889 0.302 1.475 -0.1104 -0.4738 -0.0143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12332 3586SOL HW112330 2.933 0.363 1.542 -2.2704 1.8884 -0.5524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12333 3586SOL HW212331 2.908 0.334 1.383 -0.5997 -1.1284 -0.3529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12334 3587SOL OW12332 1.885 1.047 0.243 -0.2886 -0.3394 0.4261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12335 3587SOL HW112333 1.791 1.035 0.210 0.1051 -0.2983 -0.7766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12336 3587SOL HW212334 1.938 0.964 0.222 -0.4154 -0.9810 2.4719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12337 3588SOL OW12335 1.897 1.781 0.856 -0.0473 -0.0510 -0.2046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12338 3588SOL HW112336 1.854 1.709 0.801 1.2940 -0.4864 -0.7220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12339 3588SOL HW212337 1.995 1.785 0.836 0.0766 1.2983 0.5173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12340 3589SOL OW12338 2.391 1.611 0.869 0.3754 -0.0834 -0.4847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12341 3589SOL HW112339 2.490 1.619 0.874 0.5319 0.3342 -3.0712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12342 3589SOL HW212340 2.366 1.514 0.858 0.5022 -0.1720 0.0029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12343 3590SOL OW12341 2.747 0.986 1.222 0.2924 -0.4671 0.4617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12344 3590SOL HW112342 2.727 0.909 1.282 1.0943 -1.8311 -0.9562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12345 3590SOL HW212343 2.786 0.953 1.136 1.5438 1.5726 0.1659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12346 3591SOL OW12344 1.886 0.685 1.268 -0.6855 -0.0089 0.5148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12347 3591SOL HW112345 1.916 0.598 1.229 -1.0671 -0.7327 1.7601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12348 3591SOL HW212346 1.898 0.682 1.368 -0.0088 1.6528 0.5110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12349 3592SOL OW12347 1.643 0.604 1.853 0.3037 0.0966 0.0293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12350 3592SOL HW112348 1.677 0.616 1.759 -0.3562 -0.1168 -0.2409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12351 3592SOL HW212349 1.618 0.508 1.867 -2.9695 0.7402 -0.7422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12352 3593SOL OW12350 3.112 0.986 1.712 -0.2872 0.0673 -0.2908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12353 3593SOL HW112351 3.031 1.043 1.698 -0.2340 -0.0724 -1.2459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12354 3593SOL HW212352 3.159 0.974 1.625 0.8119 0.2199 0.2667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12355 3594SOL OW12353 2.739 0.568 0.417 -0.6386 -0.4965 -0.4449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12356 3594SOL HW112354 2.703 0.477 0.394 -0.6132 -0.7210 0.3795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12357 3594SOL HW212355 2.671 0.618 0.470 0.6851 -1.4423 2.3505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12358 3595SOL OW12356 3.444 0.586 0.988 -0.4082 -0.4311 -0.1816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12359 3595SOL HW112357 3.459 0.649 0.911 -1.3310 -0.8606 -0.7317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12360 3595SOL HW212358 3.532 0.555 1.024 0.0355 -0.5119 -1.3048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12361 3596SOL OW12359 2.074 1.703 1.780 -0.0894 0.5820 -0.2939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12362 3596SOL HW112360 2.020 1.621 1.795 -0.4020 0.9232 0.4870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12363 3596SOL HW212361 2.030 1.782 1.824 0.6058 1.0202 -0.3524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12364 3597SOL OW12362 2.592 0.564 1.222 0.3275 -0.9169 0.9207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12365 3597SOL HW112363 2.640 0.583 1.307 -0.0346 -0.5003 1.0366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12366 3597SOL HW212364 2.567 0.650 1.178 -3.0149 -0.9848 2.3851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12367 3598SOL OW12365 2.801 1.595 1.373 -0.3918 0.1111 0.6045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12368 3598SOL HW112366 2.735 1.560 1.307 0.6149 -2.4395 0.8320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12369 3598SOL HW212367 2.805 1.695 1.366 -0.8861 0.0259 -2.6625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12370 3599SOL OW12368 2.239 0.510 7.247 -0.1349 0.1736 0.1449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12371 3599SOL HW112369 2.293 0.565 7.184 0.9295 -0.3254 0.6013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12372 3599SOL HW212370 2.142 0.530 7.234 -0.1995 -1.7045 -3.3832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12373 3600SOL OW12371 1.925 1.126 1.356 0.0036 -0.4132 -0.0971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12374 3600SOL HW112372 1.914 1.117 1.455 1.0028 0.1234 0.0772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12375 3600SOL HW212373 1.954 1.038 1.318 -1.4051 -0.9110 -0.0868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12376 3601SOL OW12374 3.037 1.164 1.267 -0.0273 -0.6124 0.1729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12377 3601SOL HW112375 3.045 1.146 1.169 0.4661 2.4494 -0.4443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12378 3601SOL HW212376 2.949 1.206 1.286 1.2090 2.0641 0.3798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12379 3602SOL OW12377 3.078 0.801 0.481 -0.8142 -0.1502 -0.0085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12380 3602SOL HW112378 3.057 0.703 0.482 -0.3585 -0.3086 -2.0284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12381 3602SOL HW212379 3.028 0.846 0.408 -0.8171 1.1062 0.7256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12382 3603SOL OW12380 3.787 1.742 1.141 0.4689 0.3619 0.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12383 3603SOL HW112381 3.796 1.722 1.044 0.2565 -0.7137 0.2997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12384 3603SOL HW212382 3.692 1.767 1.161 -0.0661 -1.7746 0.4342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12385 3604SOL OW12383 3.264 1.868 0.917 0.1022 1.0194 0.7265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12386 3604SOL HW112384 3.355 1.907 0.901 0.8601 -0.3007 1.6014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12387 3604SOL HW212385 3.272 1.791 0.980 -1.5628 0.5066 0.3556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12388 3605SOL OW12386 1.886 1.364 0.947 -0.4047 0.0950 0.7359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12389 3605SOL HW112387 1.843 1.414 1.023 -1.5069 0.9642 -0.4006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12390 3605SOL HW212388 1.848 1.272 0.942 -1.3576 0.4861 0.4340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12391 3606SOL OW12389 2.667 1.530 1.776 -0.1617 -0.6275 -0.7165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12392 3606SOL HW112390 2.604 1.603 1.753 1.9706 2.0402 1.2907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12393 3606SOL HW212391 2.687 1.476 1.693 -1.4100 1.3610 -2.4094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12394 3607SOL OW12392 2.639 0.075 0.299 0.1973 0.8844 0.2483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12395 3607SOL HW112393 2.642 -0.023 0.317 0.3535 0.9376 0.4737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12396 3607SOL HW212394 2.607 0.091 0.205 0.0308 0.6241 0.2609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12397 3608SOL OW12395 3.341 0.146 0.496 -0.4152 0.2678 -0.3171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12398 3608SOL HW112396 3.314 0.234 0.536 -0.3750 -0.4375 1.3389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12399 3608SOL HW212397 3.441 0.137 0.501 0.0700 1.6843 -3.9299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12400 3609SOL OW12398 3.180 1.531 0.496 0.1243 0.2819 -0.3256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12401 3609SOL HW112399 3.209 1.528 0.400 -0.5845 0.2130 -0.5412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12402 3609SOL HW212400 3.261 1.533 0.555 0.5743 -0.2122 -0.9079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12403 3610SOL OW12401 1.798 1.803 1.907 -0.2602 -0.4794 0.5819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12404 3610SOL HW112402 1.803 1.720 1.963 1.0498 -1.2646 -0.6360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12405 3610SOL HW212403 1.879 1.859 1.924 -0.2874 -0.2995 0.1147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12406 3611SOL OW12404 3.270 0.711 0.674 -0.4419 0.0630 0.4419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12407 3611SOL HW112405 3.358 0.747 0.702 -1.1529 1.8065 0.5905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12408 3611SOL HW212406 3.234 0.766 0.598 0.3646 -3.0468 -2.4201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12409 3612SOL OW12407 2.258 1.238 1.537 -0.3930 0.8550 0.1613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12410 3612SOL HW112408 2.323 1.314 1.547 0.8578 0.0558 -1.3853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12411 3612SOL HW212409 2.208 1.248 1.451 0.8367 -0.7577 -0.8110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12412 3613SOL OW12410 2.293 1.524 0.269 0.1041 -0.6275 -0.2544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12413 3613SOL HW112411 2.316 1.562 0.179 -0.8369 -1.3075 -0.8084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12414 3613SOL HW212412 2.309 1.425 0.268 -0.7592 -0.7807 0.0208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12415 3614SOL OW12413 3.537 1.818 1.138 0.0209 0.2308 0.0750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12416 3614SOL HW112414 3.572 1.860 1.054 0.1384 1.0282 0.5142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12417 3614SOL HW212415 3.556 1.878 1.216 -0.9684 -0.0369 0.5404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12418 3615SOL OW12416 3.397 0.165 0.787 -0.4976 0.5999 0.7703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12419 3615SOL HW112417 3.300 0.139 0.788 -0.1310 -0.8853 -0.0899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12420 3615SOL HW212418 3.418 0.216 0.871 -1.3084 -1.7814 2.5504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12421 3616SOL OW12419 2.167 0.431 0.847 -0.2638 0.0154 0.4856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12422 3616SOL HW112420 2.076 0.404 0.817 -0.0135 0.8851 -1.1702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12423 3616SOL HW212421 2.159 0.495 0.923 -1.1575 1.7207 -0.9738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12424 3617SOL OW12422 2.862 1.531 0.145 0.9454 0.6003 -0.0052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12425 3617SOL HW112423 2.862 1.431 0.143 -1.1365 0.5592 -1.1575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12426 3617SOL HW212424 2.899 1.566 0.058 0.5752 0.7826 -0.0955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12427 3618SOL OW12425 2.441 1.050 1.450 -0.2873 -0.3327 0.2707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12428 3618SOL HW112426 2.471 1.094 1.365 3.7047 2.8366 2.9057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12429 3618SOL HW212427 2.373 1.108 1.495 0.8816 0.4388 1.1433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12430 3619SOL OW12428 2.731 0.878 0.347 -0.0596 0.0569 0.2751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12431 3619SOL HW112429 2.821 0.894 0.307 0.6953 -1.0464 1.4530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12432 3619SOL HW212430 2.720 0.780 0.366 -0.6626 0.4444 2.0719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12433 3620SOL OW12431 3.169 1.619 0.075 -0.2822 0.1349 0.4761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12434 3620SOL HW112432 3.104 1.569 0.018 -1.4956 1.9289 0.1985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12435 3620SOL HW212433 3.162 1.717 0.055 1.1840 0.5481 1.8064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12436 3621SOL OW12434 2.211 1.308 1.814 0.0519 0.1904 -0.2076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12437 3621SOL HW112435 2.233 1.360 1.732 0.5527 -0.9829 -0.8238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12438 3621SOL HW212436 2.219 1.210 1.796 -0.3389 -0.1046 1.0928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12439 3622SOL OW12437 3.477 1.422 1.268 0.1831 0.0030 0.1921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12440 3622SOL HW112438 3.406 1.370 1.317 -0.1381 -1.1289 -1.4155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12441 3622SOL HW212439 3.444 1.515 1.253 -0.7478 -0.3535 -0.0665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12442 3623SOL OW12440 2.789 1.184 0.913 0.0179 0.4605 -0.2960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12443 3623SOL HW112441 2.721 1.113 0.929 0.0154 0.9502 2.2381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12444 3623SOL HW212442 2.764 1.236 0.831 -1.9769 -0.1358 -0.1234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12445 3624SOL OW12443 2.675 0.190 1.012 -0.5199 -0.0033 0.2783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12446 3624SOL HW112444 2.644 0.161 0.921 1.4509 2.0541 -1.1496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12447 3624SOL HW212445 2.743 0.126 1.046 0.0882 0.1852 -0.5522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12448 3625SOL OW12446 2.424 1.393 0.568 0.1945 0.0958 -0.1601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12449 3625SOL HW112447 2.378 1.329 0.505 2.4003 0.5791 -2.4261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12450 3625SOL HW212448 2.386 1.485 0.555 -0.8882 -0.1776 0.9008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12451 3626SOL OW12449 3.570 0.292 1.229 -0.0118 -0.0516 0.6236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12452 3626SOL HW112450 3.560 0.349 1.311 1.4635 -0.4664 1.1167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12453 3626SOL HW212451 3.553 0.197 1.253 0.2586 -0.1543 0.4076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12454 3627SOL OW12452 2.076 1.236 0.362 -0.1009 -0.3693 0.3829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12455 3627SOL HW112453 2.016 1.168 0.319 -1.7553 2.3276 -1.9468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12456 3627SOL HW212454 2.020 1.312 0.395 1.8465 0.9457 0.7778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12457 3628SOL OW12455 1.886 1.064 1.621 -0.0446 -0.7191 0.3109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12458 3628SOL HW112456 1.881 1.125 1.701 0.7280 -1.8656 1.2606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12459 3628SOL HW212457 1.927 0.977 1.648 0.7270 -0.9420 -1.4601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12460 3629SOL OW12458 2.538 0.125 1.568 0.0247 0.1626 -0.4946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12461 3629SOL HW112459 2.596 0.093 1.492 1.3038 -1.0904 0.9345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12462 3629SOL HW212460 2.592 0.183 1.628 0.1078 -1.6854 1.3151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12463 3630SOL OW12461 1.484 0.283 7.073 -0.7916 0.2738 0.4696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12464 3630SOL HW112462 1.549 0.342 7.025 -0.2876 0.0065 0.8162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12465 3630SOL HW212463 1.530 0.238 7.150 -1.0493 -0.9092 -0.0524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12466 3631SOL OW12464 3.142 0.974 1.413 -0.4251 -0.5945 0.0609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12467 3631SOL HW112465 3.099 1.051 1.367 -1.0010 -0.4731 0.7764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12468 3631SOL HW212466 3.239 0.971 1.389 -0.6826 -0.4827 -1.0616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12469 3632SOL OW12467 2.079 0.497 0.434 0.5244 0.4609 -0.0977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12470 3632SOL HW112468 2.149 0.515 0.503 0.5903 1.6189 -0.4452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12471 3632SOL HW212469 2.047 0.584 0.396 -0.3110 -0.1115 -0.7308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12472 3633SOL OW12470 2.940 1.209 0.222 -0.4071 0.0931 -0.3050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12473 3633SOL HW112471 2.842 1.194 0.204 -0.3305 -1.7475 0.5380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12474 3633SOL HW212472 2.951 1.248 0.314 -0.2886 -3.2180 1.2407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12475 3634SOL OW12473 2.369 0.849 1.658 -0.4259 -0.3262 0.1413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12476 3634SOL HW112474 2.457 0.895 1.646 -0.6296 -0.2006 -0.9476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12477 3634SOL HW212475 2.381 0.751 1.647 -0.2428 -0.4219 1.0756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12478 3635SOL OW12476 3.456 2.000 0.764 0.0981 -0.2485 -0.0633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12479 3635SOL HW112477 3.390 2.073 0.745 -0.1773 -0.7690 -1.2058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12480 3635SOL HW212478 3.462 1.940 0.685 1.4445 -0.6116 0.2927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12481 3636SOL OW12479 2.560 0.484 1.713 0.1825 -0.1897 -0.3447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12482 3636SOL HW112480 2.582 0.541 1.791 -1.7792 -0.8533 0.7611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12483 3636SOL HW212481 2.525 0.396 1.745 -1.2902 -0.2376 -1.9490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12484 3637SOL OW12482 3.155 1.366 1.672 -0.0742 -0.3613 0.0613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12485 3637SOL HW112483 3.142 1.311 1.755 -1.9825 1.2374 0.9329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12486 3637SOL HW212484 3.252 1.384 1.659 0.2371 1.0234 3.2147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12487 3638SOL OW12485 2.266 1.811 1.623 0.4727 0.4225 0.0367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12488 3638SOL HW112486 2.199 1.833 1.552 2.1498 0.7455 -1.5522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12489 3638SOL HW212487 2.221 1.769 1.701 -1.4876 0.2419 -1.1418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12490 3639SOL OW12488 3.401 0.996 1.307 0.0373 0.2526 -0.1201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12491 3639SOL HW112489 3.381 0.912 1.256 -1.7092 0.4399 0.1982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12492 3639SOL HW212490 3.394 1.075 1.246 0.5164 0.2700 -0.1560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12493 3640SOL OW12491 2.894 0.114 0.636 -0.4983 0.1259 -0.4055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12494 3640SOL HW112492 2.909 0.110 0.537 -0.6891 0.1733 -0.4377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12495 3640SOL HW212493 2.950 0.187 0.675 2.7128 -2.4107 0.1376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12496 3641SOL OW12494 2.521 0.691 0.544 0.3079 -0.0837 0.1111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12497 3641SOL HW112495 2.485 0.778 0.578 0.2976 -0.1980 0.4011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12498 3641SOL HW212496 2.478 0.668 0.457 2.1908 1.4768 -1.2959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12499 3642SOL OW12497 3.382 0.335 1.502 0.4372 0.0579 -0.4770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12500 3642SOL HW112498 3.329 0.287 1.433 1.1199 -0.6710 -0.5003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12501 3642SOL HW212499 3.390 0.279 1.584 1.3293 0.0743 -0.5402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12502 3643SOL OW12500 3.586 0.934 1.501 -0.2483 -0.0283 1.0491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12503 3643SOL HW112501 3.672 0.985 1.502 1.4695 -2.7382 1.0586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12504 3643SOL HW212502 3.528 0.969 1.427 0.2216 2.7250 1.8666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12505 3644SOL OW12503 2.696 1.243 0.069 -0.1623 0.0427 -0.3605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12506 3644SOL HW112504 2.661 1.237 0.162 -0.7949 -0.8125 -0.6433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12507 3644SOL HW212505 2.637 1.302 0.015 0.7291 1.3042 0.0012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12508 3645SOL OW12506 2.653 1.618 0.922 0.2919 0.3059 -0.0108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12509 3645SOL HW112507 2.659 1.621 1.022 -0.9492 2.0520 0.0599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12510 3645SOL HW212508 2.724 1.677 0.883 2.0312 -1.8468 -0.2921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12511 3646SOL OW12509 2.563 1.009 0.957 0.0709 -0.3110 0.0650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12512 3646SOL HW112510 2.584 0.916 0.988 0.6564 -0.7473 -1.5436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12513 3646SOL HW212511 2.509 1.056 1.027 -0.4841 -1.9450 0.7842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12514 3647SOL OW12512 2.994 0.924 0.255 0.3446 0.0350 0.2391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12515 3647SOL HW112513 2.993 1.023 0.241 2.6414 0.1956 0.8106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12516 3647SOL HW212514 2.981 0.878 0.168 0.5996 0.8480 -0.2375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12517 3648SOL OW12515 3.746 1.486 0.765 -0.4723 0.3005 0.1533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12518 3648SOL HW112516 3.701 1.454 0.848 -0.2389 0.2101 0.2477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12519 3648SOL HW212517 3.818 1.422 0.740 -0.0117 0.7384 0.3352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12520 3649SOL OW12518 1.910 1.476 1.835 0.1288 -0.0076 -0.2466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12521 3649SOL HW112519 1.920 1.377 1.830 1.2075 0.1435 -1.6648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12522 3649SOL HW212520 1.865 1.501 1.921 -0.8877 -1.7588 -0.2349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12523 3650SOL OW12521 1.857 0.871 0.692 -0.0410 -0.2005 -0.2847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12524 3650SOL HW112522 1.916 0.926 0.634 -0.8192 -2.4871 -3.5261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12525 3650SOL HW212523 1.766 0.913 0.698 0.5563 0.9877 0.9181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12526 3651SOL OW12524 2.428 1.435 1.597 -0.1533 0.0206 -0.1223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12527 3651SOL HW112525 2.465 1.528 1.595 -0.2969 0.0628 -1.2379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12528 3651SOL HW212526 2.493 1.373 1.640 -0.5673 0.8476 1.8022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12529 3652SOL OW12527 3.549 0.048 1.363 -0.2247 -0.1278 -0.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12530 3652SOL HW112528 3.580 -0.012 1.289 -0.0406 -0.1860 -0.0098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12531 3652SOL HW212529 3.478 0.003 1.416 -0.6454 0.0733 -0.5161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12532 3653SOL OW12530 2.259 0.566 0.638 -0.1328 -0.2047 0.3757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12533 3653SOL HW112531 2.358 0.560 0.623 0.0257 -0.8380 1.5511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12534 3653SOL HW212532 2.234 0.511 0.717 -1.1665 1.3752 1.1954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12535 3654SOL OW12533 3.582 1.436 0.953 0.0456 0.1691 0.5259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12536 3654SOL HW112534 3.488 1.448 0.922 -0.1014 1.5884 1.4166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12537 3654SOL HW212535 3.582 1.417 1.052 0.5517 -3.1514 0.0160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12538 3655SOL OW12536 2.338 0.584 1.577 0.0415 0.0791 0.3495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12539 3655SOL HW112537 2.404 0.538 1.636 -0.4133 -0.9966 0.0572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12540 3655SOL HW212538 2.318 0.526 1.498 -0.6748 0.7187 0.0425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12541 3656SOL OW12539 2.702 1.400 0.785 -0.1621 0.4360 0.1161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12542 3656SOL HW112540 2.766 1.436 0.718 3.0922 -1.4091 2.0223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12543 3656SOL HW212541 2.681 1.471 0.853 1.9246 0.4068 0.8503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12544 3657SOL OW12542 3.220 0.224 1.319 0.3982 -0.3496 0.9437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12545 3657SOL HW112543 3.215 0.136 1.272 0.3315 -0.9226 1.9995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12546 3657SOL HW212544 3.157 0.289 1.276 2.1213 -0.0633 -1.3274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12547 3658SOL OW12545 2.888 0.061 1.150 -0.2396 -0.1464 -0.1563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12548 3658SOL HW112546 2.836 -0.025 1.148 0.1827 -0.3949 -0.1650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12549 3658SOL HW212547 2.986 0.041 1.146 -0.1385 0.3355 -0.1206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12550 3659SOL OW12548 2.654 1.240 0.326 0.4130 -0.1743 0.7413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12551 3659SOL HW112549 2.588 1.173 0.359 0.5093 -0.6024 0.0787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12552 3659SOL HW212550 2.657 1.318 0.389 -2.5957 1.0892 -0.4843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12553 3660SOL OW12551 2.400 1.536 1.347 -0.0924 -0.4415 0.4153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12554 3660SOL HW112552 2.411 1.522 1.445 0.4154 -0.3547 0.3765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12555 3660SOL HW212553 2.478 1.495 1.299 0.9830 1.6752 0.2449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12556 3661SOL OW12554 3.044 0.079 0.149 0.0780 0.5933 -0.5829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12557 3661SOL HW112555 3.102 0.110 0.075 3.1836 -0.0717 1.3889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12558 3661SOL HW212556 2.993 -0.003 0.120 2.8251 -0.9378 -1.4365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12559 3662SOL OW12557 3.036 0.292 0.753 -0.1729 -0.5212 0.1963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12560 3662SOL HW112558 3.040 0.391 0.750 1.8756 -0.5418 0.3449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12561 3662SOL HW212559 3.051 0.261 0.847 -0.2534 -0.9654 0.0660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12562 3663SOL OW12560 3.393 0.320 1.008 0.6343 0.1431 0.3147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12563 3663SOL HW112561 3.468 0.297 1.070 1.1405 0.3730 -0.2045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12564 3663SOL HW212562 3.401 0.416 0.981 -0.6347 0.5631 1.3361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12565 3664SOL OW12563 1.991 0.781 0.163 0.1107 -0.2604 -0.4600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12566 3664SOL HW112564 2.089 0.798 0.149 -0.1511 0.8612 -1.0460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12567 3664SOL HW212565 1.978 0.735 0.251 1.0061 1.6514 0.7574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12568 3665SOL OW12566 2.554 1.729 0.469 0.9151 0.3118 -0.0199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12569 3665SOL HW112567 2.456 1.721 0.485 0.7871 2.1972 0.3796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12570 3665SOL HW212568 2.594 1.791 0.537 2.7616 -1.9535 1.0877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12571 3666SOL OW12569 1.995 0.659 1.963 0.0782 0.1603 0.4904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12572 3666SOL HW112570 1.986 0.723 2.039 -1.0763 0.4679 0.1095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12573 3666SOL HW212571 1.955 0.571 1.989 1.1479 -0.2499 0.8070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12574 3667SOL OW12572 1.910 0.271 2.789 0.0948 -0.7459 0.0034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12575 3667SOL HW112573 1.927 0.202 2.859 -0.2825 0.3407 1.2016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12576 3667SOL HW212574 1.826 0.249 2.740 -0.5274 -0.6602 1.0051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12577 3668SOL OW12575 1.904 0.500 2.318 -0.3349 0.0845 -0.0888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12578 3668SOL HW112576 1.816 0.499 2.366 -0.0903 -1.7253 0.3887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12579 3668SOL HW212577 1.891 0.473 2.223 -0.2285 -0.7980 0.1409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12580 3669SOL OW12578 2.403 1.375 3.067 0.4669 -0.1918 0.5245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12581 3669SOL HW112579 2.306 1.399 3.071 0.4395 -0.5083 3.4828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12582 3669SOL HW212580 2.459 1.456 3.083 0.5555 -0.5747 2.3842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12583 3670SOL OW12581 3.422 1.485 2.495 -0.0998 -0.2368 -0.0417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12584 3670SOL HW112582 3.379 1.410 2.545 0.6520 -1.6590 -1.4038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12585 3670SOL HW212583 3.386 1.489 2.402 0.4231 0.5996 -0.2269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12586 3671SOL OW12584 2.736 0.755 2.503 0.7738 -0.2441 0.3560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12587 3671SOL HW112585 2.720 0.730 2.407 -0.3351 -0.5726 0.6229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12588 3671SOL HW212586 2.681 0.834 2.527 0.9116 -0.2743 0.7807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12589 3672SOL OW12587 3.477 0.636 1.924 0.3464 -0.1622 -0.2088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12590 3672SOL HW112588 3.434 0.613 1.837 -1.2423 0.1711 0.4511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12591 3672SOL HW212589 3.516 0.553 1.965 -0.5369 -0.6661 -0.3744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12592 3673SOL OW12590 2.457 1.254 2.825 -0.0014 0.7935 -0.6950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12593 3673SOL HW112591 2.427 1.282 2.916 0.4430 0.6610 -0.5021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12594 3673SOL HW212592 2.426 1.320 2.757 -0.4163 0.8426 -0.4577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12595 3674SOL OW12593 2.786 0.718 3.657 -0.1080 -0.6578 -0.7930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12596 3674SOL HW112594 2.822 0.802 3.697 -1.1634 0.0496 -1.2522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12597 3674SOL HW212595 2.797 0.722 3.557 -2.7656 0.3310 -1.1437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12598 3675SOL OW12596 2.586 1.004 2.501 0.2548 -0.4466 -0.1454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12599 3675SOL HW112597 2.624 1.023 2.591 -0.6933 -2.7020 0.8073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12600 3675SOL HW212598 2.503 1.057 2.487 0.1854 -0.3873 0.4917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12601 3676SOL OW12599 2.539 1.157 3.624 -0.9983 0.4963 0.3891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12602 3676SOL HW112600 2.479 1.182 3.700 -0.5907 0.5185 0.7074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12603 3676SOL HW212601 2.543 1.233 3.558 0.8493 1.6727 1.7325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12604 3677SOL OW12602 2.172 1.449 2.969 0.5129 -0.1692 -0.2239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12605 3677SOL HW112603 2.133 1.360 2.947 1.1725 -0.2869 -0.9613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12606 3677SOL HW212604 2.232 1.478 2.895 0.8309 0.5830 0.3172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12607 3678SOL OW12605 3.168 1.601 3.189 -0.2448 0.2217 0.2415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12608 3678SOL HW112606 3.239 1.669 3.170 0.8929 -0.6449 1.2083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12609 3678SOL HW212607 3.118 1.628 3.272 -1.0587 0.8276 -0.4344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12610 3679SOL OW12608 2.180 0.416 3.227 0.6762 0.1910 0.1864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12611 3679SOL HW112609 2.247 0.354 3.268 0.8517 -0.7767 -1.4542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12612 3679SOL HW212610 2.088 0.383 3.248 0.7152 0.8797 1.4964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12613 3680SOL OW12611 3.674 0.522 2.575 -0.2392 -0.3711 -0.4633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12614 3680SOL HW112612 3.609 0.598 2.576 -3.3750 -2.8069 1.3256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12615 3680SOL HW212613 3.744 0.537 2.645 -2.1228 -0.0471 1.4447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12616 3681SOL OW12614 1.959 1.813 2.412 -0.4148 -0.0442 -0.1459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12617 3681SOL HW112615 2.022 1.888 2.436 -1.4097 0.7508 0.0614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12618 3681SOL HW212616 2.005 1.749 2.351 -0.1974 1.9508 -2.2255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12619 3682SOL OW12617 2.882 1.273 3.830 -0.6460 0.5242 0.3349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12620 3682SOL HW112618 2.964 1.281 3.888 0.2580 -0.4679 -0.7405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12621 3682SOL HW212619 2.880 1.182 3.788 -1.4910 1.0673 -0.8637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12622 3683SOL OW12620 2.102 1.605 2.550 0.8198 -0.1423 0.1141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12623 3683SOL HW112621 2.054 1.679 2.504 2.1960 -0.4784 -1.9900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12624 3683SOL HW212622 2.036 1.544 2.593 -0.5533 0.1395 -1.5020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12625 3684SOL OW12623 2.118 1.109 2.605 -0.2438 0.0409 0.1376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12626 3684SOL HW112624 2.151 1.026 2.648 -1.2304 0.8479 2.6250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12627 3684SOL HW212625 2.087 1.173 2.675 1.6480 3.0744 -1.5694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12628 3685SOL OW12626 2.462 2.027 3.167 0.2144 0.0474 0.5182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12629 3685SOL HW112627 2.409 1.981 3.240 0.2928 -0.2748 0.3730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12630 3685SOL HW212628 2.559 2.016 3.185 0.2348 0.7284 0.8388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12631 3686SOL OW12629 2.412 1.003 2.075 -0.8411 0.2411 0.1193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12632 3686SOL HW112630 2.357 1.071 2.123 -0.4362 0.0726 0.8336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12633 3686SOL HW212631 2.502 0.997 2.118 0.1424 1.2636 -1.6601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12634 3687SOL OW12632 3.510 0.072 3.211 -0.5992 0.1264 -0.2604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12635 3687SOL HW112633 3.460 0.157 3.193 -0.2242 0.2617 -0.6839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12636 3687SOL HW212634 3.521 0.020 3.126 2.5770 1.5310 -0.8640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12637 3688SOL OW12635 2.073 0.697 2.423 0.2300 0.2384 0.3512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12638 3688SOL HW112636 2.010 0.620 2.408 1.1836 -0.2136 -1.6972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12639 3688SOL HW212637 2.049 0.743 2.508 -3.5225 0.7314 -0.7705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12640 3689SOL OW12638 3.642 1.593 2.244 0.0886 -0.6315 -0.3190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12641 3689SOL HW112639 3.717 1.545 2.290 -0.3446 -0.0467 1.0624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12642 3689SOL HW212640 3.650 1.691 2.261 -1.2044 -0.5979 0.2354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12643 3690SOL OW12641 1.808 1.581 2.086 0.4850 -0.9401 0.1331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12644 3690SOL HW112642 1.756 1.500 2.112 -1.4264 0.2081 0.0776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12645 3690SOL HW212643 1.790 1.655 2.152 -0.0534 0.2926 -1.3300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12646 3691SOL OW12644 3.519 0.919 2.431 0.1360 -0.2685 -0.0230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12647 3691SOL HW112645 3.617 0.905 2.412 0.1776 -0.1454 0.1006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12648 3691SOL HW212646 3.500 1.016 2.438 -0.0339 -0.2856 -0.2441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12649 3692SOL OW12647 3.470 1.154 2.173 0.0233 0.3513 -0.0753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12650 3692SOL HW112648 3.548 1.096 2.151 -0.1120 0.0075 0.3262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12651 3692SOL HW212649 3.485 1.200 2.261 1.1848 2.8298 -1.4892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12652 3693SOL OW12650 2.032 0.830 3.477 0.2104 -0.3971 -0.2873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12653 3693SOL HW112651 2.043 0.926 3.502 0.0855 -0.0866 -1.3356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12654 3693SOL HW212652 1.934 0.810 3.466 0.2254 -0.7015 0.1464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12655 3694SOL OW12653 2.498 1.401 2.598 -0.2282 0.0743 0.1817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12656 3694SOL HW112654 2.477 1.305 2.578 0.7900 -0.3837 1.2098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12657 3694SOL HW212655 2.527 1.446 2.514 -1.9852 -0.1340 -0.5931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12658 3695SOL OW12656 2.901 1.121 3.193 0.1133 -0.5510 0.3526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12659 3695SOL HW112657 2.967 1.068 3.139 1.2700 0.5190 0.6574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12660 3695SOL HW212658 2.941 1.142 3.282 -0.4148 0.6158 0.3248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12661 3696SOL OW12659 2.925 7.176 2.334 0.2488 -0.3141 0.3450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12662 3696SOL HW112660 2.982 7.243 2.287 -2.1163 1.1130 -0.6758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12663 3696SOL HW212661 2.926 7.090 2.283 0.6731 0.0194 -0.2224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12664 3697SOL OW12662 2.144 1.021 3.065 0.1725 -0.1989 -0.3391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12665 3697SOL HW112663 2.218 0.979 3.117 0.0655 -0.4152 -0.3595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12666 3697SOL HW212664 2.068 0.956 3.056 0.0783 -0.0662 -0.5268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12667 3698SOL OW12665 3.318 1.016 1.890 -0.0427 -0.2334 0.0210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12668 3698SOL HW112666 3.246 0.966 1.842 -1.0358 0.2550 0.9759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12669 3698SOL HW212667 3.377 0.951 1.938 0.0359 -0.6200 -0.5849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12670 3699SOL OW12668 3.054 1.618 3.736 0.0437 0.1677 -0.2327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12671 3699SOL HW112669 2.960 1.586 3.740 -0.4086 1.4072 -0.3822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12672 3699SOL HW212670 3.116 1.545 3.764 -0.8423 -1.1431 -1.5302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12673 3700SOL OW12671 2.399 0.460 3.637 0.1633 0.1244 0.0397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12674 3700SOL HW112672 2.447 0.478 3.723 0.5038 0.0242 -0.1246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12675 3700SOL HW212673 2.349 0.541 3.609 0.8754 0.4950 -0.1881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12676 3701SOL OW12674 3.324 1.277 2.634 -0.4462 -0.4861 -0.7001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12677 3701SOL HW112675 3.337 1.322 2.722 0.0854 -1.6431 -0.1696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12678 3701SOL HW212676 3.279 1.189 2.648 0.4725 -1.1029 -1.4822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12679 3702SOL OW12677 3.363 1.781 2.514 -0.4545 0.5391 -0.3815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12680 3702SOL HW112678 3.391 1.685 2.509 -0.6437 0.5291 -1.4565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12681 3702SOL HW212679 3.278 1.787 2.567 -0.2464 0.1599 0.0043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12682 3703SOL OW12680 2.407 0.717 2.059 -0.1851 -0.1302 -0.3400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12683 3703SOL HW112681 2.389 0.815 2.061 0.3066 -0.0554 0.7099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12684 3703SOL HW212682 2.392 0.678 2.150 0.1459 -0.9356 -0.6217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12685 3704SOL OW12683 3.201 0.451 2.577 -0.0534 -0.1275 0.1151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12686 3704SOL HW112684 3.129 0.402 2.626 1.4161 -2.5200 0.0672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12687 3704SOL HW212685 3.285 0.397 2.578 1.5064 2.1032 -0.6630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12688 3705SOL OW12686 3.381 1.533 2.202 -0.3478 0.4204 0.0499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12689 3705SOL HW112687 3.476 1.563 2.211 -0.9203 1.8567 2.1198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12690 3705SOL HW212688 3.366 1.497 2.110 2.2670 -0.1997 -0.2142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12691 3706SOL OW12689 2.523 0.472 3.360 -0.2026 -0.1140 -0.4787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12692 3706SOL HW112690 2.570 0.478 3.449 1.7771 0.4301 -1.5042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12693 3706SOL HW212691 2.471 0.387 3.356 0.8702 -0.8699 0.6638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12694 3707SOL OW12692 3.205 0.531 3.548 -0.3386 -0.4964 0.7006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12695 3707SOL HW112693 3.210 0.572 3.639 -0.3843 0.0996 0.4366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12696 3707SOL HW212694 3.193 0.432 3.557 1.1017 -0.6417 1.3606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12697 3708SOL OW12695 2.791 0.735 3.384 -0.1703 -0.0925 0.3826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12698 3708SOL HW112696 2.761 0.667 3.317 1.0883 -0.8269 0.5432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12699 3708SOL HW212697 2.781 0.827 3.345 0.6274 -0.5105 -0.8562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12700 3709SOL OW12698 2.798 0.401 2.965 -0.2252 0.4266 -0.0179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12701 3709SOL HW112699 2.702 0.401 2.940 -0.5218 -0.6391 1.0379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12702 3709SOL HW212700 2.833 0.307 2.963 0.6037 0.7198 0.2792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12703 3710SOL OW12701 2.953 0.457 2.234 -0.3117 -0.5666 -0.1051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12704 3710SOL HW112702 3.006 0.405 2.301 -2.0571 -2.2956 0.0202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12705 3710SOL HW212703 2.856 0.438 2.246 -0.7740 0.1209 -2.2709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12706 3711SOL OW12704 1.980 0.842 2.752 -0.3200 0.6404 -0.2060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12707 3711SOL HW112705 2.074 0.867 2.730 0.1435 -0.7143 0.1667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12708 3711SOL HW212706 1.966 0.745 2.734 -1.4807 0.6871 0.3360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12709 3712SOL OW12707 2.021 2.027 3.414 -0.1172 0.2480 -0.4117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12710 3712SOL HW112708 1.966 1.984 3.485 0.5320 1.3282 0.7890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12711 3712SOL HW212709 2.010 1.978 3.328 -1.0066 -1.0234 0.4092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12712 3713SOL OW12710 2.828 0.213 2.123 0.4669 0.3216 0.3685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12713 3713SOL HW112711 2.843 0.285 2.054 -0.3138 0.4390 0.3104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12714 3713SOL HW212712 2.769 0.142 2.084 2.1655 -0.9613 0.0248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12715 3714SOL OW12713 3.538 0.718 3.693 0.0271 -0.3975 -0.0348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12716 3714SOL HW112714 3.500 0.785 3.628 -1.0893 0.0348 1.0138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12717 3714SOL HW212715 3.531 0.626 3.654 -0.2455 -0.1069 -0.6953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12718 3715SOL OW12716 3.219 1.049 2.198 0.0887 0.6276 0.3548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12719 3715SOL HW112717 3.312 1.084 2.191 0.0815 0.5498 -0.2044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12720 3715SOL HW212718 3.155 1.126 2.206 0.1110 0.7320 -0.4061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12721 3716SOL OW12719 2.210 0.269 2.670 0.2539 -0.2193 0.0940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12722 3716SOL HW112720 2.210 0.229 2.761 -0.3330 -1.1641 -0.3038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12723 3716SOL HW212721 2.115 0.279 2.638 0.4308 0.6271 -0.1919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12724 3717SOL OW12722 2.893 1.466 2.414 -0.3054 0.4970 0.1279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12725 3717SOL HW112723 2.962 1.505 2.353 -1.0213 0.6639 -0.5874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12726 3717SOL HW212724 2.890 1.518 2.499 -0.6943 1.5113 -0.4973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12727 3718SOL OW12725 2.090 1.861 2.779 -0.1795 0.4895 -0.0198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12728 3718SOL HW112726 2.051 1.910 2.701 0.2798 -1.3239 -1.4692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12729 3718SOL HW212727 2.159 1.918 2.823 1.4407 0.6684 -2.5702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12730 3719SOL OW12728 3.451 0.998 2.822 -0.0141 -0.1584 -0.2167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12731 3719SOL HW112729 3.489 0.906 2.835 0.0694 -0.2329 -0.9329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12732 3719SOL HW212730 3.397 0.999 2.737 -0.9818 0.1451 0.3903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12733 3720SOL OW12731 3.068 1.683 3.450 0.1096 0.3840 0.7283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12734 3720SOL HW112732 3.079 1.743 3.529 2.5630 2.3883 -0.9881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12735 3720SOL HW212733 2.971 1.681 3.423 -0.1578 3.3755 1.0780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12736 3721SOL OW12734 2.232 0.964 1.859 -0.2025 0.4379 0.4094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12737 3721SOL HW112735 2.299 0.987 1.929 -1.3526 1.8589 1.0953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12738 3721SOL HW212736 2.275 0.909 1.788 1.2672 -0.0623 1.6481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12739 3722SOL OW12737 3.453 0.707 2.567 0.6047 0.1215 -0.6426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12740 3722SOL HW112738 3.383 0.725 2.636 0.8460 1.2676 -0.6902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12741 3722SOL HW212739 3.480 0.792 2.523 1.2575 -0.4528 -1.3878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12742 3723SOL OW12740 2.218 1.228 3.394 -0.1855 0.5892 -0.2994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12743 3723SOL HW112741 2.211 1.151 3.457 -0.7495 -0.0603 -1.1408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12744 3723SOL HW212742 2.249 1.309 3.444 1.8797 -0.5137 0.3418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12745 3724SOL OW12743 3.026 1.709 2.056 -0.2492 -0.1748 -0.0870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12746 3724SOL HW112744 2.946 1.743 2.105 0.1751 0.8562 -0.0888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12747 3724SOL HW212745 2.996 1.664 1.971 -0.8722 -0.5448 0.3176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12748 3725SOL OW12746 1.935 0.305 3.339 0.0781 -0.1691 0.5937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12749 3725SOL HW112747 1.864 0.331 3.404 -0.9727 -1.2593 -0.1032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12750 3725SOL HW212748 1.990 0.231 3.378 0.1464 -0.0732 0.6815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12751 3726SOL OW12749 3.283 1.472 1.931 -0.1842 0.0499 -0.0387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12752 3726SOL HW112750 3.263 1.556 1.881 0.7693 -0.5921 -1.5881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12753 3726SOL HW212751 3.205 1.410 1.926 -0.7847 0.6976 0.8748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12754 3727SOL OW12752 2.179 1.964 2.190 -0.4277 0.0977 -0.9503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12755 3727SOL HW112753 2.204 1.982 2.285 0.1632 0.5632 -1.1927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12756 3727SOL HW212754 2.151 1.868 2.181 0.7633 -0.3059 -0.5598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12757 3728SOL OW12755 3.404 0.167 2.206 -0.4861 0.0119 -0.0899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12758 3728SOL HW112756 3.365 0.217 2.130 -0.2217 -0.7254 -0.7250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12759 3728SOL HW212757 3.465 0.095 2.171 0.1988 0.1256 0.8296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12760 3729SOL OW12758 2.008 1.881 3.188 -0.3185 0.0490 0.0716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12761 3729SOL HW112759 2.072 1.805 3.181 0.2456 0.6872 -3.1903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12762 3729SOL HW212760 1.916 1.849 3.163 -0.3688 0.1211 0.1634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12763 3730SOL OW12761 2.645 1.670 2.956 -0.5404 0.4073 -0.0139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12764 3730SOL HW112762 2.553 1.705 2.938 0.4364 2.4388 -1.3454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12765 3730SOL HW212763 2.685 1.637 2.870 0.7371 1.5125 0.1314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12766 3731SOL OW12764 2.327 0.629 2.311 -0.0249 0.0847 0.8780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12767 3731SOL HW112765 2.342 0.532 2.329 -0.0196 0.3784 2.5638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12768 3731SOL HW212766 2.230 0.651 2.322 -0.2838 0.0407 -0.8730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12769 3732SOL OW12767 3.188 0.263 3.489 0.5036 -0.3346 -0.3002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12770 3732SOL HW112768 3.242 0.190 3.531 0.1182 -0.2465 0.3752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12771 3732SOL HW212769 3.164 0.238 3.395 0.6939 -0.9058 -0.1976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12772 3733SOL OW12770 2.605 0.043 2.003 -0.0228 0.0511 0.2118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12773 3733SOL HW112771 2.643 -0.031 2.058 1.4588 0.0923 -0.6992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12774 3733SOL HW212772 2.524 0.011 1.955 0.8373 -1.1538 -0.5001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12775 3734SOL OW12773 2.592 0.173 3.684 -0.0728 0.2414 -0.0926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12776 3734SOL HW112774 2.653 0.197 3.759 -1.0722 -0.7165 1.0714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12777 3734SOL HW212775 2.498 0.174 3.716 -0.4519 -1.1635 -1.0444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12778 3735SOL OW12776 2.643 1.530 3.164 -0.3437 0.4837 0.0621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12779 3735SOL HW112777 2.646 1.593 3.087 -0.0864 2.0300 1.2822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12780 3735SOL HW212778 2.666 1.438 3.133 -1.7307 0.7636 -1.9659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12781 3736SOL OW12779 3.106 0.549 3.288 0.3863 0.1450 -0.4134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12782 3736SOL HW112780 3.137 0.524 3.379 1.0810 2.2332 -0.0141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12783 3736SOL HW212781 3.112 0.649 3.277 1.2019 -0.1186 -3.0609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12784 3737SOL OW12782 2.709 1.521 2.741 -0.1930 0.0202 0.2889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12785 3737SOL HW112783 2.782 1.454 2.754 1.9201 2.1630 0.1698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12786 3737SOL HW212784 2.635 1.479 2.690 2.1679 -1.5430 -2.1250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12787 3738SOL OW12785 2.642 0.500 2.611 -0.3911 -0.1310 -0.0969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12788 3738SOL HW112786 2.614 0.414 2.568 -1.6742 -1.2599 2.7501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12789 3738SOL HW212787 2.737 0.491 2.642 -0.7757 -0.8845 0.9240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12790 3739SOL OW12788 2.450 0.039 2.276 -0.3916 0.4230 -0.1460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12791 3739SOL HW112789 2.534 -0.016 2.273 -0.2081 0.6712 0.4581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12792 3739SOL HW212790 2.424 0.055 2.371 -1.0627 0.4464 -0.3309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12793 3740SOL OW12791 3.137 1.216 1.902 -0.4527 -0.5454 -0.3114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12794 3740SOL HW112792 3.199 1.139 1.909 -0.7076 -0.7092 0.2206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12795 3740SOL HW212793 3.076 1.217 1.981 -0.9713 -0.2524 -0.7046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12796 3741SOL OW12794 2.023 0.021 2.011 -0.6613 0.3554 -0.3650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12797 3741SOL HW112795 2.021 0.084 1.934 -1.7599 -0.3847 -0.9704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12798 3741SOL HW212796 2.078 0.060 2.085 1.3709 0.5743 -1.9255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12799 3742SOL OW12797 3.063 0.109 2.184 -0.0482 0.5083 -0.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12800 3742SOL HW112798 2.978 0.141 2.143 0.3764 0.2749 -1.1309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12801 3742SOL HW212799 3.101 0.181 2.243 -1.1071 0.5178 0.6409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12802 3743SOL OW12800 2.705 0.561 3.183 -0.6400 0.1799 0.0924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12803 3743SOL HW112801 2.653 0.493 3.234 1.1777 -0.7125 0.8522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12804 3743SOL HW212802 2.759 0.517 3.112 -0.0449 0.9041 0.0707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12805 3744SOL OW12803 2.927 1.669 2.633 -0.0022 0.0268 -1.0174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12806 3744SOL HW112804 2.921 1.759 2.588 0.8667 2.1364 2.6777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12807 3744SOL HW212805 2.835 1.637 2.655 -0.2748 1.6577 0.4488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12808 3745SOL OW12806 2.365 1.173 2.468 0.1755 -0.0044 0.0292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12809 3745SOL HW112807 2.277 1.169 2.514 -0.6807 0.0336 -1.5395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12810 3745SOL HW212808 2.351 1.194 2.371 1.8496 -0.8467 -0.4329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12811 3746SOL OW12809 2.839 1.847 2.455 -0.2578 0.1651 0.5093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12812 3746SOL HW112810 2.819 1.830 2.359 -0.1429 0.0443 0.5059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12813 3746SOL HW212811 2.754 1.868 2.504 -0.4146 -0.4772 0.5227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12814 3747SOL OW12812 2.811 0.402 1.868 0.4180 -0.2923 -0.8386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12815 3747SOL HW112813 2.741 0.472 1.883 -0.0550 -0.9444 0.1421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12816 3747SOL HW212814 2.767 0.319 1.833 0.7013 -0.6827 -0.2797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12817 3748SOL OW12815 2.007 0.620 3.277 -0.5731 -0.4190 -0.1963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12818 3748SOL HW112816 2.077 0.549 3.286 -0.9303 -0.7451 0.0436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12819 3748SOL HW212817 2.010 0.679 3.358 -1.3531 -1.1458 0.3782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12820 3749SOL OW12818 2.209 0.141 2.915 0.1364 -0.1807 -0.0123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12821 3749SOL HW112819 2.285 0.198 2.946 1.0450 -0.5147 -1.5037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12822 3749SOL HW212820 2.150 0.118 2.993 -0.1860 2.6275 0.6811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12823 3750SOL OW12821 2.636 0.267 2.462 -0.3305 0.3866 -0.1926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12824 3750SOL HW112822 2.664 0.310 2.376 0.4708 0.0547 -0.1069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12825 3750SOL HW212823 2.672 0.174 2.466 -0.6564 0.2809 0.3527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12826 3751SOL OW12824 2.560 0.120 2.753 -0.4109 -0.1005 0.0769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12827 3751SOL HW112825 2.570 0.084 2.660 -4.6620 0.3645 -0.7791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12828 3751SOL HW212826 2.543 0.218 2.748 -2.6410 -0.3668 1.0336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12829 3752SOL OW12827 3.215 1.022 2.635 -0.0924 -0.0353 -0.1585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12830 3752SOL HW112828 3.164 0.983 2.712 -0.0242 0.4630 0.1455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12831 3752SOL HW212829 3.174 0.993 2.549 -1.5137 1.1488 0.0674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12832 3753SOL OW12830 3.260 0.648 2.768 -0.3924 0.6783 -0.1026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12833 3753SOL HW112831 3.217 0.604 2.690 -0.9507 1.0845 -0.0306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12834 3753SOL HW212832 3.326 0.586 2.810 -0.0808 0.4630 -0.9011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12835 3754SOL OW12833 3.504 0.853 2.074 0.0883 -0.8970 0.6049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12836 3754SOL HW112834 3.455 0.825 2.156 -0.0497 -2.7544 -0.0614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12837 3754SOL HW212835 3.511 0.775 2.012 1.1323 0.1844 -0.6806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12838 3755SOL OW12836 2.134 1.703 2.220 0.6667 -0.4466 0.3596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12839 3755SOL HW112837 2.200 1.694 2.294 -0.5628 -3.0540 1.2501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12840 3755SOL HW212838 2.168 1.655 2.139 0.8225 0.1475 0.0612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12841 3756SOL OW12839 3.494 1.211 2.432 -0.1459 -0.8452 -0.1147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12842 3756SOL HW112840 3.583 1.234 2.472 0.3005 0.3741 -1.6649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12843 3756SOL HW212841 3.424 1.214 2.502 0.7068 0.4567 0.7293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12844 3757SOL OW12842 3.146 0.593 1.791 0.2772 0.1657 -0.5982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12845 3757SOL HW112843 3.133 0.545 1.878 -0.9113 1.2410 -0.1419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12846 3757SOL HW212844 3.243 0.594 1.768 0.8726 1.3106 1.6054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12847 3758SOL OW12845 2.487 0.294 2.090 -0.1718 -0.0725 0.0960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12848 3758SOL HW112846 2.518 0.201 2.070 -1.2614 -0.3491 -0.3959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12849 3758SOL HW212847 2.424 0.324 2.018 0.0445 0.9956 0.3290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12850 3759SOL OW12848 3.514 1.299 3.471 -0.2849 0.1045 -0.5075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12851 3759SOL HW112849 3.522 1.229 3.542 0.3106 -0.3596 -1.0232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12852 3759SOL HW212850 3.597 1.355 3.470 -0.8368 0.9693 0.0399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12853 3760SOL OW12851 2.730 1.289 3.063 -0.0920 0.3909 -0.3724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12854 3760SOL HW112852 2.672 1.229 3.007 -0.2460 -0.1955 0.3969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12855 3760SOL HW212853 2.795 1.233 3.115 -0.0609 0.9153 0.1576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12856 3761SOL OW12854 3.444 1.728 3.766 -0.6534 -0.0723 0.3396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12857 3761SOL HW112855 3.466 1.679 3.682 1.9115 1.6536 -0.1063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12858 3761SOL HW212856 3.388 1.808 3.745 -0.3012 0.1685 0.3098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12859 3762SOL OW12857 2.935 1.375 2.896 -0.2325 -0.6140 -0.2235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12860 3762SOL HW112858 2.861 1.365 2.962 0.7845 -1.3862 0.8475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12861 3762SOL HW212859 2.904 1.343 2.806 -0.9473 -1.7474 0.3943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12862 3763SOL OW12860 3.353 1.153 3.051 0.3121 -0.3117 0.7851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12863 3763SOL HW112861 3.425 1.151 3.120 3.3189 2.7427 -1.9206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12864 3763SOL HW212862 3.366 1.079 2.985 1.0832 0.2609 0.2770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12865 3764SOL OW12863 2.652 0.244 3.226 0.0441 -0.1031 0.5079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12866 3764SOL HW112864 2.690 0.169 3.173 -0.5383 0.0534 -0.1307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12867 3764SOL HW212865 2.727 0.301 3.261 0.4547 -0.6082 0.4630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12868 3765SOL OW12866 2.786 1.050 3.621 0.1777 0.0015 0.3211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12869 3765SOL HW112867 2.702 1.088 3.660 -0.5465 -1.9830 0.7931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12870 3765SOL HW212868 2.772 1.029 3.524 0.9560 1.9453 -0.2554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12871 3766SOL OW12869 2.638 0.969 2.239 -0.5566 -0.0594 0.0584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12872 3766SOL HW112870 2.624 0.990 2.336 -2.7323 -0.3291 -0.1510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12873 3766SOL HW212871 2.669 0.874 2.230 0.5381 0.2391 0.5126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12874 3767SOL OW12872 2.348 0.853 3.113 0.4988 0.4715 0.0083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12875 3767SOL HW112873 2.371 0.805 3.198 -0.1905 1.1928 0.6142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12876 3767SOL HW212874 2.311 0.787 3.047 2.9238 -0.4851 -0.5185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12877 3768SOL OW12875 3.094 0.365 3.069 0.4251 -0.1901 -0.3006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12878 3768SOL HW112876 3.110 0.442 3.131 -0.7165 0.2160 -0.4885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12879 3768SOL HW212877 3.007 0.377 3.022 0.6245 -1.1870 -0.9646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12880 3769SOL OW12878 2.038 1.482 3.395 0.4172 -0.4866 0.2685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12881 3769SOL HW112879 2.095 1.558 3.363 -0.6474 0.5827 0.8427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12882 3769SOL HW212880 2.031 1.414 3.323 1.3457 -0.0229 -0.2858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12883 3770SOL OW12881 2.282 1.216 2.190 0.4417 -0.1279 0.3853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12884 3770SOL HW112882 2.214 1.245 2.257 -0.4743 -0.2195 -0.4897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12885 3770SOL HW212883 2.304 1.293 2.129 2.1944 0.3361 1.5031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12886 3771SOL OW12884 2.240 0.530 2.760 -0.4168 -0.0738 0.0238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12887 3771SOL HW112885 2.309 0.582 2.710 0.0457 0.4387 1.1529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12888 3771SOL HW212886 2.228 0.440 2.718 -0.0518 0.3430 -0.9896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12889 3772SOL OW12887 3.039 1.269 2.148 -0.5840 0.1429 -0.0889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12890 3772SOL HW112888 3.069 1.363 2.161 -1.8043 0.7779 -1.6190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12891 3772SOL HW212889 2.958 1.252 2.203 1.4882 -1.1215 2.8598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12892 3773SOL OW12890 3.189 1.445 2.937 0.0215 0.1468 0.1613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12893 3773SOL HW112891 3.179 1.478 3.031 -0.4178 0.7890 -0.1050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12894 3773SOL HW212892 3.101 1.410 2.904 0.6613 -2.1746 0.7428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12895 3774SOL OW12893 3.336 0.576 2.283 -0.6502 -0.2956 -0.6765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12896 3774SOL HW112894 3.336 0.603 2.380 -0.2897 -0.9769 -0.4788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12897 3774SOL HW212895 3.279 0.640 2.231 -2.1521 -0.8155 0.2425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12898 3775SOL OW12896 2.161 1.650 3.191 0.1641 0.5299 0.8257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12899 3775SOL HW112897 2.146 1.587 3.115 -2.5561 0.6430 1.1516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12900 3775SOL HW212898 2.256 1.645 3.220 0.8466 -0.8359 -1.3939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12901 3776SOL OW12899 2.549 0.858 3.570 -0.1085 0.3166 -0.3744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12902 3776SOL HW112900 2.573 0.954 3.585 -0.5198 0.2939 0.5079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12903 3776SOL HW212901 2.628 0.800 3.589 -0.0883 0.4250 -0.1286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12904 3777SOL OW12902 3.452 0.889 3.511 0.3404 0.2880 -0.6486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12905 3777SOL HW112903 3.359 0.923 3.492 -0.0932 -0.9113 -0.7392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12906 3777SOL HW212904 3.503 0.883 3.425 0.4585 0.8116 -0.6172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12907 3778SOL OW12905 2.990 0.026 3.836 0.0523 0.4892 0.0539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12908 3778SOL HW112906 2.962 0.035 3.741 1.5625 -1.0520 -0.6045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12909 3778SOL HW212907 2.932 -0.041 3.882 -0.1559 0.6288 -0.0147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12910 3779SOL OW12908 2.199 0.257 3.660 0.4190 -0.0288 0.4161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12911 3779SOL HW112909 2.213 0.199 3.579 0.3083 -1.2271 1.2213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12912 3779SOL HW212910 2.255 0.339 3.653 1.6497 -0.8884 -0.1408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12913 3780SOL OW12911 2.446 0.993 2.886 -0.0419 0.3243 0.6145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12914 3780SOL HW112912 2.446 1.090 2.864 4.4894 0.7599 1.6622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12915 3780SOL HW212913 2.411 0.980 2.978 1.1430 1.2848 1.2283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12916 3781SOL OW12914 3.080 0.863 2.809 0.1171 0.3033 -0.3293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12917 3781SOL HW112915 2.992 0.829 2.777 -0.8504 0.0367 2.4032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12918 3781SOL HW212916 3.145 0.787 2.814 0.2639 0.3372 -1.4979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12919 3782SOL OW12917 3.177 0.486 2.059 -0.0615 -0.0542 -0.0439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12920 3782SOL HW112918 3.252 0.473 2.124 -2.7288 -3.7132 2.6986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12921 3782SOL HW212919 3.091 0.499 2.109 -2.0323 -1.3621 -2.8307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12922 3783SOL OW12920 1.975 0.123 3.035 -0.0205 -0.0077 -0.6245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12923 3783SOL HW112921 1.933 0.206 3.072 -1.7673 -0.7742 -0.8000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12924 3783SOL HW212922 1.947 0.044 3.090 1.1872 -0.5823 -0.7853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12925 3784SOL OW12923 1.806 1.447 3.134 -0.0406 0.3174 0.1686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12926 3784SOL HW112924 1.759 1.383 3.195 -1.1124 0.8660 -0.0528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12927 3784SOL HW212925 1.901 1.418 3.122 -0.6687 -1.6185 -0.4638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12928 3785SOL OW12926 2.568 0.462 2.881 0.4275 0.5497 -0.1354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12929 3785SOL HW112927 2.573 0.453 2.782 0.5522 1.0093 -0.1725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12930 3785SOL HW212928 2.564 0.559 2.906 0.4367 0.4394 0.3101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12931 3786SOL OW12929 3.558 1.072 3.657 0.5094 -0.2808 -0.4873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12932 3786SOL HW112930 3.522 1.006 3.591 -2.5680 -0.1408 0.8806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12933 3786SOL HW212931 3.607 1.023 3.729 1.9313 -0.6109 -1.6110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12934 3787SOL OW12932 2.215 0.120 2.173 -0.1078 -0.0543 0.0291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12935 3787SOL HW112933 2.180 0.196 2.228 -1.0903 -0.3612 -0.1573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12936 3787SOL HW212934 2.307 0.097 2.203 -0.3022 0.3487 0.9658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12937 3788SOL OW12935 3.620 0.427 2.045 0.7874 -0.1347 0.2989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12938 3788SOL HW112936 3.654 0.342 2.006 1.6996 -0.0207 0.8116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12939 3788SOL HW212937 3.634 0.426 2.144 0.1554 0.3156 0.3952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12940 3789SOL OW12938 2.814 0.781 2.781 -0.2433 -0.1562 0.4723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12941 3789SOL HW112939 2.755 0.759 2.859 0.0213 0.6705 0.9125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12942 3789SOL HW212940 2.800 0.713 2.709 -0.2259 -1.1532 1.3735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12943 3790SOL OW12941 2.842 1.393 3.409 -0.3184 0.0149 0.1464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12944 3790SOL HW112942 2.833 1.482 3.365 -1.0564 -0.6862 -1.1969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12945 3790SOL HW212943 2.753 1.346 3.408 0.2275 -1.0508 0.1053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12946 3791SOL OW12944 3.742 1.420 3.426 -0.0380 0.0503 -0.2470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12947 3791SOL HW112945 3.755 1.461 3.336 2.3035 1.3105 0.5892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12948 3791SOL HW212946 3.824 1.367 3.450 -0.5073 -0.0138 1.2667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12949 3792SOL OW12947 2.334 0.902 3.776 -1.3030 -0.1950 -0.2447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12950 3792SOL HW112948 2.363 0.992 3.809 -0.5907 -0.2404 -0.7164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12951 3792SOL HW212949 2.403 0.866 3.712 -0.8284 -1.7408 1.0694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12952 3793SOL OW12950 3.409 0.242 1.783 0.0101 -0.2793 -0.7269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12953 3793SOL HW112951 3.367 0.211 1.868 -1.2504 1.8992 -0.4932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12954 3793SOL HW212952 3.508 0.251 1.796 -0.0513 -0.8472 0.2033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12955 3794SOL OW12953 2.997 0.810 1.872 0.6727 0.1793 -0.7288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12956 3794SOL HW112954 3.043 0.730 1.835 -1.0763 -0.0544 -2.5825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12957 3794SOL HW212955 3.022 0.891 1.820 1.8938 0.7650 0.6999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12958 3795SOL OW12956 2.864 1.297 2.649 -0.1295 0.0133 -0.0577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12959 3795SOL HW112957 2.816 1.209 2.652 -0.6872 0.2422 -1.3309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12960 3795SOL HW212958 2.886 1.319 2.554 2.2168 0.0971 0.4607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12961 3796SOL OW12959 2.236 0.887 2.734 -0.6843 -0.5187 -0.1645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12962 3796SOL HW112960 2.311 0.933 2.780 -1.1623 0.0243 0.0941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12963 3796SOL HW212961 2.270 0.806 2.685 0.2118 0.2504 -0.8350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12964 3797SOL OW12962 1.969 0.553 2.775 0.1240 0.3974 0.1687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12965 3797SOL HW112963 1.923 0.464 2.773 -1.0928 1.0003 -1.1156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12966 3797SOL HW212964 2.065 0.542 2.750 0.0319 -0.5857 0.2099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12967 3798SOL OW12965 2.891 0.356 3.343 0.5547 -0.5644 -0.6204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12968 3798SOL HW112966 2.822 0.365 3.414 0.3704 -1.0240 -0.7353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12969 3798SOL HW212967 2.952 0.435 3.345 0.4814 -0.5169 -0.0285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12970 3799SOL OW12968 3.072 0.170 3.260 0.4269 -0.0129 0.5619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12971 3799SOL HW112969 2.990 0.199 3.309 -0.3835 -1.8851 0.4051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12972 3799SOL HW212970 3.087 0.230 3.182 0.0934 1.2621 1.4386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12973 3800SOL OW12971 1.976 1.325 2.152 -0.1531 -0.5881 -0.5576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12974 3800SOL HW112972 1.884 1.357 2.131 0.2307 -0.0372 -1.4460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12975 3800SOL HW212973 1.984 1.228 2.126 -1.4099 -1.6120 2.4304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12976 3801SOL OW12974 1.886 1.688 2.835 0.4115 0.0791 -0.2158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12977 3801SOL HW112975 1.899 1.601 2.786 -0.5140 0.7391 -1.7208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12978 3801SOL HW212976 1.955 1.753 2.806 0.3206 0.2428 -0.0647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12979 3802SOL OW12977 2.309 1.531 2.731 -0.2675 -0.9381 0.5190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12980 3802SOL HW112978 2.375 1.481 2.675 -0.0537 -1.5000 1.2569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12981 3802SOL HW212979 2.227 1.550 2.678 -0.6311 -2.6640 0.4009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12982 3803SOL OW12980 2.594 0.732 2.959 0.5551 0.1761 0.5747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12983 3803SOL HW112981 2.608 0.703 3.054 2.3962 0.4932 0.4471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12984 3803SOL HW212982 2.504 0.776 2.951 0.4567 0.3749 2.2346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12985 3804SOL OW12983 1.881 0.553 3.059 0.4506 0.0969 -0.8125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12986 3804SOL HW112984 1.918 0.561 2.966 1.5551 -1.5325 -0.5570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12987 3804SOL HW212985 1.954 0.564 3.125 -0.0409 -0.3747 -0.1792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12988 3805SOL OW12986 2.270 0.652 3.509 -0.2860 -0.0755 0.0244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12989 3805SOL HW112987 2.332 0.665 3.432 -0.1937 -1.2586 -0.1042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12990 3805SOL HW212988 2.198 0.722 3.506 1.2800 1.6424 0.4449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12991 3806SOL OW12989 3.185 0.924 3.461 0.4606 0.0599 -0.0942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12992 3806SOL HW112990 3.128 1.006 3.467 -0.0265 -0.3597 1.3985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12993 3806SOL HW212991 3.140 0.857 3.401 -0.3346 -0.0296 0.5841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12994 3807SOL OW12992 2.687 0.437 2.264 -0.1095 -0.2058 -0.2549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12995 3807SOL HW112993 2.625 0.399 2.195 -0.0723 -1.3482 0.3144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12996 3807SOL HW212994 2.707 0.533 2.242 -0.7453 -0.3096 -1.3646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12997 3808SOL OW12995 3.483 0.537 2.888 -0.2482 -0.0796 -0.6649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12998 3808SOL HW112996 3.527 0.454 2.922 -0.1659 0.4467 0.5736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
12999 3808SOL HW212997 3.550 0.611 2.883 -0.6817 0.3572 -0.1241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13000 3809SOL OW12998 2.265 1.715 3.565 -0.3143 -0.0381 -0.0094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13001 3809SOL HW112999 2.165 1.719 3.567 -0.3816 -1.4635 1.3069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13002 3809SOL HW213000 2.301 1.759 3.647 0.1225 0.0288 -0.2346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13003 3810SOL OW13001 2.404 0.297 3.011 0.1613 -0.2452 -0.1648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13004 3810SOL HW113002 2.359 0.319 3.097 -1.5002 -1.3344 -0.7047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13005 3810SOL HW213003 2.460 0.375 2.982 -1.5945 1.3143 0.4110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13006 3811SOL OW13004 2.825 1.654 3.320 -0.3368 0.0124 -0.3797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13007 3811SOL HW113005 2.763 1.617 3.251 -0.5356 -0.9288 0.2919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13008 3811SOL HW213006 2.854 1.746 3.293 -0.6481 -0.2296 -1.5581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13009 3812SOL OW13007 2.247 0.584 1.877 -0.0211 -0.1976 -0.0891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13010 3812SOL HW113008 2.304 0.637 1.940 -0.1317 0.3697 -0.4626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13011 3812SOL HW213009 2.151 0.609 1.889 -0.0496 -0.1350 -0.4383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13012 3813SOL OW13010 2.018 1.244 3.222 -0.3373 -0.1730 0.3011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13013 3813SOL HW113011 2.097 1.243 3.284 0.8661 0.1612 -1.1900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13014 3813SOL HW213012 2.027 1.171 3.154 -1.5017 -0.3512 0.3155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13015 3814SOL OW13013 3.116 1.005 3.037 0.1724 -0.3441 0.4278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13016 3814SOL HW113014 3.087 0.965 2.950 -1.5741 0.2084 0.7226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13017 3814SOL HW213015 3.188 1.072 3.021 -0.9184 0.5885 -0.7564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13018 3815SOL OW13016 3.203 0.766 2.157 -0.9331 -0.1189 -0.8064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13019 3815SOL HW113017 3.174 0.860 2.139 0.2342 0.0841 -1.7606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13020 3815SOL HW213018 3.200 0.714 2.072 2.3722 0.2060 -1.2823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13021 3816SOL OW13019 3.360 1.792 3.113 0.2486 0.4333 -0.1718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13022 3816SOL HW113020 3.354 1.797 3.014 -2.1502 0.2823 -0.0983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13023 3816SOL HW213021 3.431 1.726 3.139 -0.2466 -0.7974 -1.8082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13024 3817SOL OW13022 3.182 1.664 2.743 -0.0468 -0.1731 0.2322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13025 3817SOL HW113023 3.102 1.663 2.684 -0.9056 0.6540 1.3280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13026 3817SOL HW213024 3.175 1.591 2.810 0.0502 -0.0230 0.4071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13027 3818SOL OW13025 2.063 1.205 2.876 0.7366 0.5927 -0.2675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13028 3818SOL HW113026 1.963 1.198 2.885 0.6233 0.5517 -1.3899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13029 3818SOL HW213027 2.106 1.140 2.938 0.0592 0.4896 0.1120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13030 3819SOL OW13028 2.659 1.677 3.780 0.1722 -0.4050 0.4771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13031 3819SOL HW113029 2.639 1.730 3.698 -2.3968 -0.1047 1.1771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13032 3819SOL HW213030 2.702 1.590 3.755 -0.0131 -0.0540 -1.1395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13033 3820SOL OW13031 3.582 0.003 2.066 -0.3897 0.0914 -0.3911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13034 3820SOL HW113032 3.610 0.070 1.997 -1.2578 -0.8881 -1.7260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13035 3820SOL HW213033 3.663 -0.033 2.112 0.1091 1.8407 0.1793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13036 3821SOL OW13034 3.113 1.533 2.232 -0.0101 0.3049 -0.4892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13037 3821SOL HW113035 3.213 1.529 2.230 0.0891 2.1551 -1.3605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13038 3821SOL HW213036 3.082 1.606 2.171 -1.8444 0.4962 0.6101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13039 3822SOL OW13037 1.832 1.905 3.553 -0.1073 -0.0139 -0.1161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13040 3822SOL HW113038 1.800 1.823 3.507 -0.3271 0.2946 -0.5221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13041 3822SOL HW213039 1.801 1.905 3.648 -2.0964 0.6764 -0.6998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13042 3823SOL OW13040 3.128 0.880 2.409 0.4099 -0.5488 -0.2504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13043 3823SOL HW113041 3.076 0.795 2.420 -0.4177 -0.0319 -0.0838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13044 3823SOL HW213042 3.192 0.870 2.333 2.1617 -2.2120 1.3463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13045 3824SOL OW13043 2.439 1.078 3.247 -0.2645 -0.3513 0.0550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13046 3824SOL HW113044 2.356 1.126 3.273 1.0307 1.8237 0.4171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13047 3824SOL HW213045 2.415 0.998 3.191 -2.5611 0.1833 0.1709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13048 3825SOL OW13046 2.612 1.649 2.031 -0.1715 0.4788 0.3271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13049 3825SOL HW113047 2.626 1.616 1.937 -0.5552 -0.7798 0.7088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13050 3825SOL HW213048 2.551 1.729 2.029 -0.2740 0.3929 -0.4784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13051 3826SOL OW13049 3.309 1.778 3.388 -0.0558 -0.6642 -0.0421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13052 3826SOL HW113050 3.328 1.762 3.291 -1.1846 -1.4689 -0.1539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13053 3826SOL HW213051 3.216 1.747 3.409 -0.9975 2.2645 0.6223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13054 3827SOL OW13052 3.728 0.210 2.672 0.2604 0.0328 0.0568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13055 3827SOL HW113053 3.747 0.112 2.677 0.9930 0.1694 0.0538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13056 3827SOL HW213054 3.635 0.228 2.704 0.5100 -0.5344 1.1656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13057 3828SOL OW13055 2.119 0.301 2.383 -0.0456 -0.5270 -0.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13058 3828SOL HW113056 2.062 0.365 2.331 1.8772 1.3432 0.0399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13059 3828SOL HW213057 2.215 0.327 2.373 0.6646 -2.4639 1.3529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13060 3829SOL OW13058 2.937 1.615 1.830 -0.2021 -0.5261 0.2748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13061 3829SOL HW113059 2.837 1.612 1.838 -0.2949 -0.3534 -0.7136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13062 3829SOL HW213060 2.968 1.537 1.776 0.0883 0.0524 -0.3981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13063 3830SOL OW13061 2.707 1.007 3.335 0.5413 -0.5407 -0.1701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13064 3830SOL HW113062 2.774 1.075 3.307 0.2882 -0.3197 -0.2472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13065 3830SOL HW213063 2.615 1.041 3.315 0.4257 -1.0287 -0.4706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13066 3831SOL OW13064 2.782 0.691 2.223 0.6080 0.1678 0.6021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13067 3831SOL HW113065 2.772 0.743 2.139 0.5648 -0.1363 0.4183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13068 3831SOL HW213066 2.877 0.662 2.234 0.6036 0.1650 0.6351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13069 3832SOL OW13067 3.257 1.675 1.733 -0.1006 0.0439 -0.1960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13070 3832SOL HW113068 3.186 1.628 1.680 -1.2395 2.2503 -0.7499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13071 3832SOL HW213069 3.344 1.669 1.684 -0.6304 0.0590 -1.1671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13072 3833SOL OW13070 2.354 1.414 3.515 0.9752 -0.0672 -0.2957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13073 3833SOL HW113071 2.332 1.427 3.611 -0.0324 0.6562 -0.6159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13074 3833SOL HW213072 2.351 1.502 3.467 0.0052 -0.6176 -1.2864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13075 3834SOL OW13073 3.302 1.355 3.261 0.1050 0.2806 0.3444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13076 3834SOL HW113074 3.242 1.427 3.225 0.4800 0.4599 0.0730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13077 3834SOL HW213075 3.319 1.287 3.190 0.2087 0.2186 0.4278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13078 3835SOL OW13076 2.888 1.037 2.495 -0.1938 0.3322 -0.0084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13079 3835SOL HW113077 2.986 1.040 2.472 0.1534 -0.1806 1.3064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13080 3835SOL HW213078 2.861 0.942 2.511 -0.8274 0.5036 -0.0615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13081 3836SOL OW13079 2.912 0.434 2.674 0.2300 -0.1449 0.1174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13082 3836SOL HW113080 2.892 0.340 2.646 0.0534 0.2883 -1.2676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13083 3836SOL HW213081 2.874 0.450 2.765 0.1047 -1.3489 0.2981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13084 3837SOL OW13082 2.605 1.464 2.355 0.3121 0.2562 -0.2399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13085 3837SOL HW113083 2.700 1.435 2.346 0.0826 -0.3575 -0.7810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13086 3837SOL HW213084 2.573 1.503 2.268 0.2956 1.1593 0.1662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13087 3838SOL OW13085 3.643 0.427 3.069 0.7852 -0.2138 -0.0242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13088 3838SOL HW113086 3.693 0.511 3.044 -0.3658 0.5984 0.3085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13089 3838SOL HW213087 3.705 0.349 3.063 2.4823 0.8942 1.5645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13090 3839SOL OW13088 2.156 1.383 2.361 -0.0814 -0.0345 -0.0930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13091 3839SOL HW113089 2.108 1.415 2.279 -0.5232 -1.4686 -0.4203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13092 3839SOL HW213090 2.154 1.454 2.431 -1.2662 0.5473 -0.6911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13093 3840SOL OW13091 2.178 1.044 3.598 0.7221 0.0281 -0.3363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13094 3840SOL HW113092 2.160 1.118 3.663 -1.2940 -0.1093 -0.6681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13095 3840SOL HW213093 2.211 0.964 3.647 1.0112 0.5176 0.2778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13096 3841SOL OW13094 2.378 0.226 3.295 0.2450 -0.6878 1.0644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13097 3841SOL HW113095 2.472 0.214 3.263 0.2054 1.0903 0.1560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13098 3841SOL HW213096 2.329 0.139 3.288 1.2641 -1.1905 -0.3470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13099 3842SOL OW13097 1.994 0.252 1.827 0.4131 0.4635 -0.3379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13100 3842SOL HW113098 1.924 0.209 1.770 -0.4906 1.1578 0.2175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13101 3842SOL HW213099 2.027 0.336 1.782 2.3563 -0.8609 -1.5418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13102 3843SOL OW13100 3.125 0.804 3.225 -0.3820 -0.3228 -0.2782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13103 3843SOL HW113101 3.086 0.880 3.173 1.7032 1.7010 0.9179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13104 3843SOL HW213102 3.221 0.794 3.201 0.5583 0.4417 2.7782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13105 3844SOL OW13103 1.826 0.336 2.052 -0.4221 0.0752 -0.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13106 3844SOL HW113104 1.744 0.335 1.995 -0.1819 -1.3958 -0.4121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13107 3844SOL HW213105 1.901 0.293 2.002 -0.2045 -1.2491 1.3710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13108 3845SOL OW13106 2.794 1.236 1.825 0.1815 0.4267 -0.6060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13109 3845SOL HW113107 2.732 1.159 1.821 1.0444 -0.3839 0.9329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13110 3845SOL HW213108 2.754 1.310 1.880 0.7152 -0.2750 0.7761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13111 3846SOL OW13109 2.453 0.726 3.333 -0.1920 0.7092 1.5253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13112 3846SOL HW113110 2.483 0.763 3.421 -1.8716 0.4147 2.2430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13113 3846SOL HW213111 2.495 0.636 3.319 1.5418 1.5358 1.1380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13114 3847SOL OW13112 3.105 1.899 2.491 0.0739 -0.1220 0.4722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13115 3847SOL HW113113 3.150 1.897 2.402 0.2234 3.2262 0.3369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13116 3847SOL HW213114 3.010 1.870 2.481 0.1944 -0.1589 -0.7046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13117 3848SOL OW13115 2.714 0.391 3.558 -0.1279 0.3558 0.3657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13118 3848SOL HW113116 2.745 0.467 3.614 0.6688 0.5068 -0.2590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13119 3848SOL HW213117 2.680 0.318 3.616 -0.8765 1.1756 0.9709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13120 3849SOL OW13118 3.034 1.174 3.419 -0.2235 0.2730 0.1274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13121 3849SOL HW113119 2.980 1.242 3.469 -0.0763 -0.1479 0.8819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13122 3849SOL HW213120 3.107 1.219 3.368 0.1583 0.6584 0.9906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13123 3850SOL OW13121 2.306 1.976 3.434 0.1312 0.5785 0.8303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13124 3850SOL HW113122 2.214 2.011 3.454 -0.4675 0.4682 -1.5237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13125 3850SOL HW213123 2.308 1.878 3.451 -0.4016 0.4534 0.2071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13126 3851SOL OW13124 3.384 0.741 3.126 0.0193 -0.3994 0.2825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13127 3851SOL HW113125 3.397 0.646 3.154 -2.1588 -0.2366 2.1414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13128 3851SOL HW213126 3.386 0.746 3.026 2.4981 -1.9604 0.1597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13129 3852SOL OW13127 3.190 0.291 2.327 -0.3429 -0.0333 -0.8571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13130 3852SOL HW113128 3.269 0.231 2.314 0.2831 -0.0922 2.3303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13131 3852SOL HW213129 3.221 0.386 2.335 -0.7674 0.1300 -1.1244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13132 3853SOL OW13130 2.401 0.629 2.577 -0.1986 0.2128 0.0419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13133 3853SOL HW113131 2.492 0.587 2.583 0.1406 0.6513 -1.4893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13134 3853SOL HW213132 2.391 0.674 2.488 -2.3839 -0.8989 -0.3419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13135 3854SOL OW13133 3.500 0.457 3.571 0.0686 0.0822 0.2926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13136 3854SOL HW113134 3.512 0.416 3.481 -0.3534 0.5731 0.0057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13137 3854SOL HW213135 3.405 0.486 3.582 -0.5729 -2.4018 1.9415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13138 3855SOL OW13136 3.550 0.898 3.273 -0.0266 -0.2775 -0.4350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13139 3855SOL HW113137 3.540 0.996 3.255 0.0887 -0.4076 -1.2398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13140 3855SOL HW213138 3.494 0.846 3.208 1.6680 -0.8258 -1.5132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13141 3856SOL OW13139 2.651 1.364 2.066 -0.4204 -0.5030 0.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13142 3856SOL HW113140 2.701 1.309 2.133 -1.3957 -0.6736 0.7076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13143 3856SOL HW213141 2.667 1.461 2.083 -0.6500 -0.5456 0.5700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13144 3857SOL OW13142 2.397 1.748 2.887 0.6690 -0.3478 0.1102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13145 3857SOL HW113143 2.379 1.832 2.836 1.8468 -0.2784 -0.2091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13146 3857SOL HW213144 2.375 1.669 2.829 1.8899 -0.2686 -0.4833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13147 3858SOL OW13145 2.690 1.042 2.750 0.2081 -0.0623 -0.6057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13148 3858SOL HW113146 2.614 1.029 2.814 -1.1861 1.1585 -1.9353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13149 3858SOL HW213147 2.754 0.966 2.759 -1.7985 -1.8141 -0.3168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13150 3859SOL OW13148 2.755 0.852 2.001 -0.8289 0.5491 -0.0607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13151 3859SOL HW113149 2.712 0.913 1.935 -1.0174 -0.3715 -0.8187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13152 3859SOL HW213150 2.852 0.841 1.978 -0.2917 2.1240 1.2719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13153 3860SOL OW13151 3.591 1.602 2.734 -0.1876 0.0351 0.4232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13154 3860SOL HW113152 3.553 1.576 2.646 -0.4396 1.6534 0.0299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13155 3860SOL HW213153 3.540 1.557 2.807 -2.1844 1.3066 -0.1301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13156 3861SOL OW13154 2.238 1.566 3.882 0.0013 -0.3947 0.3698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13157 3861SOL HW113155 2.158 1.536 3.829 -0.7443 -0.4290 1.4883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13158 3861SOL HW213156 2.254 1.663 3.866 -2.5224 0.5565 2.8680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13159 3862SOL OW13157 1.941 1.173 2.390 0.4229 -0.4836 -0.1070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13160 3862SOL HW113158 2.013 1.128 2.443 0.3490 -0.8097 -0.2816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13161 3862SOL HW213159 1.978 1.255 2.346 0.8812 -1.0351 -0.7779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13162 3863SOL OW13160 2.571 1.310 3.375 0.8394 -0.0973 -0.0813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13163 3863SOL HW113161 2.532 1.239 3.316 0.8109 1.0064 -1.4559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13164 3863SOL HW213162 2.501 1.380 3.392 1.4229 0.5701 -0.3782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13165 3864SOL OW13163 3.842 0.238 3.032 0.1435 0.5777 0.1867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13166 3864SOL HW113164 3.844 0.205 3.126 -0.0471 -0.5339 -0.1790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13167 3864SOL HW213165 3.932 0.275 3.007 0.5759 -0.3006 0.4091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13168 3865SOL OW13166 2.371 0.354 2.332 0.2066 -0.0108 -0.0453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13169 3865SOL HW113167 2.436 0.332 2.404 0.0500 -2.4636 -0.5625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13170 3865SOL HW213168 2.418 0.358 2.244 0.2693 2.2300 0.0242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13171 3866SOL OW13169 3.467 1.448 2.936 -0.0965 -0.4706 0.6134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13172 3866SOL HW113170 3.368 1.456 2.946 -0.2151 3.1229 -1.6651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13173 3866SOL HW213171 3.511 1.490 3.016 -0.2599 -2.6023 1.9253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13174 3867SOL OW13172 2.239 0.603 3.011 -0.0959 0.1263 -0.0991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13175 3867SOL HW113173 2.228 0.540 3.087 1.1564 -1.8123 -1.4543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13176 3867SOL HW213174 2.220 0.556 2.925 -1.5957 2.2818 -1.0507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13177 3868SOL OW13175 2.328 1.742 2.388 -0.1481 -0.4689 0.2181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13178 3868SOL HW113176 2.314 1.829 2.436 -1.2066 -1.1925 1.2680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13179 3868SOL HW213177 2.415 1.702 2.418 0.6427 0.4870 -0.7191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13180 3869SOL OW13178 3.248 0.297 2.852 0.4077 -0.2994 0.3581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13181 3869SOL HW113179 3.193 0.219 2.823 0.8754 -0.3353 -0.4511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13182 3869SOL HW213180 3.210 0.335 2.936 -2.0423 0.8658 -1.1617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13183 3870SOL OW13181 2.748 0.117 2.954 0.4515 0.0380 0.4225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13184 3870SOL HW113182 2.805 0.039 2.983 1.9864 0.7678 -0.4753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13185 3870SOL HW213183 2.679 0.086 2.890 0.1006 -0.8120 1.1936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13186 3871SOL OW13184 2.798 1.183 2.269 -0.0848 -0.3851 -0.0159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13187 3871SOL HW113185 2.744 1.113 2.222 1.3137 -0.6126 -1.3585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13188 3871SOL HW213186 2.837 1.145 2.353 -3.4678 0.3252 2.0464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13189 3872SOL OW13187 2.408 1.618 3.308 -0.0496 -0.3597 0.0495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13190 3872SOL HW113188 2.421 1.692 3.374 -0.4662 -0.8477 0.6864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13191 3872SOL HW213189 2.495 1.597 3.264 0.0819 0.4862 -0.1176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13192 3873SOL OW13190 3.242 0.216 1.980 0.3135 0.7015 -0.2045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13193 3873SOL HW113191 3.199 0.137 2.024 -0.3061 0.7191 -0.7670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13194 3873SOL HW213192 3.179 0.293 1.982 0.1482 0.6190 -1.3765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13195 3874SOL OW13193 2.980 0.653 2.442 0.2408 0.1114 0.2902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13196 3874SOL HW113194 3.020 0.582 2.500 1.6479 2.1391 1.9473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13197 3874SOL HW213195 2.886 0.671 2.472 0.1671 -0.4801 0.4190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13198 3875SOL OW13196 3.451 0.334 2.659 0.1467 0.2476 -0.4350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13199 3875SOL HW113197 3.406 0.319 2.747 0.9024 -0.5940 -0.1820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13200 3875SOL HW213198 3.509 0.415 2.665 -0.0211 0.3547 -0.2506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13201 3876SOL OW13199 2.025 1.060 2.047 -0.2006 0.5889 0.1332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13202 3876SOL HW113200 2.098 1.050 1.979 0.1559 -0.2860 0.6238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13203 3876SOL HW213201 2.020 0.977 2.103 -0.9713 1.0056 0.7067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13204 3877SOL OW13202 2.803 1.790 2.184 -0.3139 0.2087 0.5092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13205 3877SOL HW113203 2.721 1.756 2.139 -0.0663 -1.0379 0.9640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13206 3877SOL HW213204 2.818 1.886 2.159 -0.6324 -0.1995 -1.4033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13207 3878SOL OW13205 2.072 0.832 3.883 0.0386 0.2749 -0.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13208 3878SOL HW113206 2.015 0.773 3.826 1.3460 -1.6854 0.5126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13209 3878SOL HW213207 2.158 0.850 3.835 -0.3327 1.6881 -0.2637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13210 3879SOL OW13208 2.026 0.073 4.714 -0.2253 -0.1803 0.1087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13211 3879SOL HW113209 2.028 0.115 4.623 0.6398 -0.7984 -0.1748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13212 3879SOL HW213210 1.980 -0.016 4.708 -2.4553 0.8695 0.7918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13213 3880SOL OW13211 1.755 0.430 4.422 0.0605 -0.2669 -0.5613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13214 3880SOL HW113212 1.677 0.490 4.438 1.0825 1.0108 -0.1772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13215 3880SOL HW213213 1.759 0.407 4.324 0.8928 2.1509 -1.1648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13216 3881SOL OW13214 2.152 1.341 4.739 -0.4226 0.1923 0.1318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13217 3881SOL HW113215 2.119 1.373 4.650 -0.8551 -1.3333 -0.3034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13218 3881SOL HW213216 2.194 1.416 4.789 -0.1556 1.0877 -1.3716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13219 3882SOL OW13217 3.249 1.520 4.359 -0.1752 0.1241 0.1064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13220 3882SOL HW113218 3.300 1.582 4.418 0.6230 -0.3957 -0.0156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13221 3882SOL HW213219 3.223 1.567 4.275 -0.6982 0.6582 0.5548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13222 3883SOL OW13220 3.201 0.707 4.315 0.3988 -0.1114 0.6386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13223 3883SOL HW113221 3.231 0.791 4.361 1.8276 0.3324 -0.9780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13224 3883SOL HW213222 3.179 0.638 4.383 2.2252 0.5649 2.0234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13225 3884SOL OW13223 3.681 0.528 3.897 -0.5559 0.2478 -0.1092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13226 3884SOL HW113224 3.656 0.585 3.819 3.2295 1.6762 -0.4975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13227 3884SOL HW213225 3.599 0.506 3.950 -2.5010 4.8375 -0.7335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13228 3885SOL OW13226 2.358 1.192 4.647 -0.1829 0.6755 -0.0314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13229 3885SOL HW113227 2.289 1.232 4.707 -0.0910 -0.9213 1.2210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13230 3885SOL HW213228 2.373 1.251 4.568 -2.1565 1.6022 0.2388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13231 3886SOL OW13229 2.826 0.832 5.572 0.3788 0.2347 0.0167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13232 3886SOL HW113230 2.896 0.769 5.605 -0.1884 0.1132 1.0405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13233 3886SOL HW213231 2.739 0.784 5.566 0.5115 0.1620 -2.0454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13234 3887SOL OW13232 2.444 0.915 4.441 -0.5955 -0.0618 -0.2874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13235 3887SOL HW113233 2.516 0.921 4.509 1.1181 -0.4528 -1.9779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13236 3887SOL HW213234 2.444 0.997 4.384 -0.8328 -0.4775 -0.9057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13237 3888SOL OW13235 2.404 1.093 5.572 -0.3577 -0.0818 0.7095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13238 3888SOL HW113236 2.477 1.145 5.618 -1.2635 0.9532 1.0312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13239 3888SOL HW213237 2.363 1.149 5.501 -0.9630 -0.5837 0.6547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13240 3889SOL OW13238 2.074 1.464 4.515 -1.0814 0.2332 -0.0773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13241 3889SOL HW113239 2.034 1.390 4.460 -0.5707 0.0038 -0.1489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13242 3889SOL HW213240 2.115 1.532 4.453 1.2430 -0.9920 -0.0083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13243 3890SOL OW13241 3.266 1.686 5.305 0.6323 -0.0844 0.2654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13244 3890SOL HW113242 3.365 1.692 5.321 0.9340 -1.0571 -1.0680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13245 3890SOL HW213243 3.243 1.735 5.221 0.0798 -0.4070 0.2240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13246 3891SOL OW13244 2.266 0.270 5.204 0.4177 -0.2051 -0.2692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13247 3891SOL HW113245 2.307 0.335 5.268 -2.0722 1.4227 -0.2063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13248 3891SOL HW213246 2.178 0.305 5.172 -0.7508 -3.2673 -0.7759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13249 3892SOL OW13247 3.439 0.454 4.450 0.5394 -0.2207 0.6210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13250 3892SOL HW113248 3.351 0.468 4.404 1.3008 -1.5472 -1.3853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13251 3892SOL HW213249 3.451 0.525 4.519 -1.2119 1.2180 -0.4295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13252 3893SOL OW13250 2.077 1.863 4.102 -0.5303 0.3334 -0.2897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13253 3893SOL HW113251 2.033 1.943 4.142 0.1976 0.6213 -0.0508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13254 3893SOL HW213252 2.173 1.860 4.130 -0.3952 -0.2867 -0.7952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13255 3894SOL OW13253 2.840 1.212 5.326 0.6032 -0.6154 0.0106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13256 3894SOL HW113254 2.914 1.237 5.264 0.3357 -1.4065 -0.6446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13257 3894SOL HW213255 2.778 1.147 5.281 -0.9616 0.6349 0.2477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13258 3895SOL OW13256 1.991 1.641 4.243 0.0219 0.6332 -0.0134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13259 3895SOL HW113257 2.029 1.717 4.190 -0.2020 0.8953 0.2064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13260 3895SOL HW213258 1.945 1.676 4.324 0.0964 0.2504 0.1975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13261 3896SOL OW13259 2.115 1.025 4.333 0.2114 -0.2714 -0.3016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13262 3896SOL HW113260 2.144 0.961 4.262 0.6563 -0.4339 0.0215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13263 3896SOL HW213261 2.064 0.976 4.403 -0.1116 -0.1346 -0.4398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13264 3897SOL OW13262 2.357 1.729 5.050 0.6188 0.1161 0.5129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13265 3897SOL HW113263 2.368 1.645 5.105 -0.1262 0.2161 0.8341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13266 3897SOL HW213264 2.391 1.807 5.103 0.4369 0.1367 0.6012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13267 3898SOL OW13265 2.507 1.041 4.034 0.0133 -0.1541 0.1625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13268 3898SOL HW113266 2.561 1.116 3.994 0.4146 -1.2186 -1.4207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13269 3898SOL HW213267 2.568 0.978 4.082 -0.3148 0.4643 1.4318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13270 3899SOL OW13268 3.305 7.186 5.300 -0.6605 -0.0047 0.3664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13271 3899SOL HW113269 3.346 7.267 5.259 0.1488 0.0006 1.1727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13272 3899SOL HW213270 3.235 7.214 5.366 0.1492 0.0653 1.2052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13273 3900SOL OW13271 1.979 0.545 4.504 -0.4455 0.0787 0.3456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13274 3900SOL HW113272 1.893 0.500 4.478 0.1634 -2.2498 2.0761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13275 3900SOL HW213273 1.959 0.640 4.531 -2.5263 -0.4593 0.9292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13276 3901SOL OW13274 1.946 1.466 3.861 -0.2589 0.0824 -0.7226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13277 3901SOL HW113275 1.855 1.430 3.881 0.1979 0.1472 1.8604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13278 3901SOL HW213276 1.945 1.565 3.867 0.3742 0.0079 1.6453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13279 3902SOL OW13277 3.691 0.752 4.306 0.4072 0.3138 0.1251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13280 3902SOL HW113278 3.755 0.701 4.363 0.0157 1.4323 1.6333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13281 3902SOL HW213279 3.734 0.775 4.219 1.0401 -1.3868 -0.0338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13282 3903SOL OW13280 3.574 1.117 3.996 0.2421 -0.0052 -0.6330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13283 3903SOL HW113281 3.518 1.109 4.078 -0.7685 1.3844 -1.1577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13284 3903SOL HW213282 3.626 1.032 3.983 -0.2314 -0.5691 0.9464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13285 3904SOL OW13283 1.964 0.713 5.069 0.5222 0.8679 0.1554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13286 3904SOL HW113284 1.992 0.742 5.160 0.2274 1.8461 -0.0523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13287 3904SOL HW213285 1.876 0.754 5.047 0.4324 0.3682 -0.4440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13288 3905SOL OW13286 2.295 1.564 4.232 -0.2172 0.2576 -0.1149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13289 3905SOL HW113287 2.256 1.497 4.168 0.6994 -0.9084 0.5238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13290 3905SOL HW213288 2.368 1.615 4.186 -0.1437 0.0293 -0.2530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13291 3906SOL OW13289 3.035 1.294 5.133 0.0975 0.3112 -0.2989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13292 3906SOL HW113290 3.012 1.224 5.066 0.4221 -1.1751 1.0988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13293 3906SOL HW213291 3.132 1.290 5.154 -0.0721 0.4979 0.5477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13294 3907SOL OW13292 2.862 7.072 3.939 -0.6615 -0.6305 -0.1088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13295 3907SOL HW113293 2.792 7.082 4.010 0.1517 -0.0652 0.6242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13296 3907SOL HW213294 2.950 7.051 3.981 0.3192 1.8835 -0.7349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13297 3908SOL OW13295 2.128 0.918 4.968 0.2446 0.0127 -0.1364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13298 3908SOL HW113296 2.079 0.840 5.008 -0.0950 -0.1178 -0.7933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13299 3908SOL HW213297 2.064 0.974 4.916 0.3871 1.0097 0.7248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13300 3909SOL OW13298 3.687 0.887 3.825 0.1884 0.5469 0.2639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13301 3909SOL HW113299 3.632 0.813 3.786 -1.3980 0.1500 2.9719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13302 3909SOL HW213300 3.737 0.854 3.904 -0.1763 2.2068 1.2559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13303 3910SOL OW13301 3.063 1.816 5.481 0.1645 0.6085 -0.3161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13304 3910SOL HW113302 3.042 1.894 5.422 1.8410 0.7592 -0.7509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13305 3910SOL HW213303 3.131 1.757 5.437 0.4079 -0.0263 0.8567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13306 3911SOL OW13304 2.022 0.340 5.664 0.3020 -0.0960 0.4716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13307 3911SOL HW113305 2.079 0.364 5.743 -0.6126 2.7840 0.3581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13308 3911SOL HW213306 1.997 0.423 5.614 0.2217 -1.7635 -2.4638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13309 3912SOL OW13307 3.095 1.510 4.683 -0.1059 0.3288 0.0319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13310 3912SOL HW113308 3.061 1.508 4.589 0.7434 1.5424 -0.3276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13311 3912SOL HW213309 3.033 1.564 4.740 1.0524 2.4361 -0.5966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13312 3913SOL OW13310 2.431 0.719 3.990 -0.0150 0.3023 -0.1439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13313 3913SOL HW113311 2.437 0.793 3.924 0.3405 -0.1824 -0.6641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13314 3913SOL HW213312 2.378 0.749 4.069 -0.3249 0.9338 -0.5843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13315 3914SOL OW13313 3.047 0.335 4.596 -0.4829 0.1433 -0.4555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13316 3914SOL HW113314 2.949 0.346 4.608 -0.4999 0.7509 -1.0798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13317 3914SOL HW213315 3.073 0.240 4.613 -1.1199 0.0579 0.0705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13318 3915SOL OW13316 3.183 1.392 3.876 -0.0231 0.1248 -0.1455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13319 3915SOL HW113317 3.132 1.345 3.947 -1.6756 1.6673 -0.2414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13320 3915SOL HW213318 3.268 1.343 3.858 0.0411 -0.7777 2.2621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13321 3916SOL OW13319 2.573 0.590 5.268 0.0199 -0.2394 0.1434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13322 3916SOL HW113320 2.516 0.538 5.331 -0.0321 -1.0274 -0.5381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13323 3916SOL HW213321 2.634 0.528 5.218 0.4830 0.4337 -0.1519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13324 3917SOL OW13322 3.091 0.456 5.416 -0.4972 -0.1809 -0.8076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13325 3917SOL HW113323 3.076 0.536 5.473 -0.2259 0.5234 -1.6956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13326 3917SOL HW213324 3.119 0.378 5.472 -0.0755 0.5333 -0.0216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13327 3918SOL OW13325 2.670 1.021 5.203 -0.0915 0.0855 -0.3387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13328 3918SOL HW113326 2.734 0.945 5.217 0.3947 0.5172 -0.1859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13329 3918SOL HW213327 2.639 1.021 5.109 0.0792 -0.1718 -0.3974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13330 3919SOL OW13328 2.990 0.344 4.945 0.0741 0.3822 -0.3705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13331 3919SOL HW113329 2.936 0.426 4.962 1.3559 1.3447 -0.7788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13332 3919SOL HW213330 2.941 0.284 4.882 -0.4654 1.2673 -0.8134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13333 3920SOL OW13331 2.981 0.570 4.194 0.1434 0.2970 -0.0252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13334 3920SOL HW113332 3.021 0.643 4.249 -0.8624 0.6319 0.2777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13335 3920SOL HW213333 2.895 0.602 4.154 0.2668 -0.3414 -0.8291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13336 3921SOL OW13334 1.959 0.789 4.572 -0.6706 -0.4568 0.1953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13337 3921SOL HW113335 2.045 0.831 4.599 0.5785 -2.6343 -0.1807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13338 3921SOL HW213336 1.883 0.841 4.612 0.7955 1.1954 0.9949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13339 3922SOL OW13337 1.926 1.901 5.315 -0.0650 0.2617 0.4511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13340 3922SOL HW113338 1.905 1.866 5.407 -2.1213 -0.6955 -0.3066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13341 3922SOL HW213339 1.871 1.851 5.248 1.8415 0.5116 -1.3968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13342 3923SOL OW13340 2.806 0.263 3.821 0.4376 -0.2819 -0.1486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13343 3923SOL HW113341 2.831 0.359 3.813 0.9610 -0.2966 1.0590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13344 3923SOL HW213342 2.888 0.206 3.821 0.3168 -0.5100 1.6255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13345 3924SOL OW13343 3.451 0.690 5.284 -0.3890 0.0880 -0.0451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13346 3924SOL HW113344 3.423 0.769 5.339 -1.7471 0.4438 -1.1773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13347 3924SOL HW213345 3.501 0.722 5.204 -2.7759 0.0493 -1.6393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13348 3925SOL OW13346 3.352 1.095 4.168 0.0372 -0.2348 -0.9686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13349 3925SOL HW113347 3.358 1.194 4.185 2.7491 -0.0841 -2.3006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13350 3925SOL HW213348 3.340 1.047 4.255 1.5394 1.1249 0.0471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13351 3926SOL OW13349 2.483 0.316 4.865 -0.3358 0.0061 -0.2751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13352 3926SOL HW113350 2.531 0.398 4.834 -0.6248 0.8858 1.4949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13353 3926SOL HW213351 2.391 0.315 4.827 -1.1864 1.8144 1.5382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13354 3927SOL OW13352 2.976 1.275 4.272 -0.2049 -0.4989 0.3446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13355 3927SOL HW113353 2.884 1.309 4.251 0.1945 0.1149 -0.4354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13356 3927SOL HW213354 2.971 1.176 4.287 -1.4863 -0.0972 3.2997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13357 3928SOL OW13355 2.037 1.868 4.497 -0.0940 0.1823 0.1730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13358 3928SOL HW113356 2.112 1.801 4.494 -0.6413 -0.4890 0.8793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13359 3928SOL HW213357 2.052 1.932 4.572 0.3476 0.7616 -0.4021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13360 3929SOL OW13358 3.525 0.988 4.764 -0.3499 0.2222 0.5864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13361 3929SOL HW113359 3.439 1.039 4.751 0.4502 1.3652 -0.5330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13362 3929SOL HW213360 3.570 1.019 4.848 -1.1955 -0.6539 1.3817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13363 3930SOL OW13361 2.835 1.454 5.413 0.4896 0.2506 -0.5899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13364 3930SOL HW113362 2.818 1.358 5.388 -2.7594 0.7218 -0.6715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13365 3930SOL HW213363 2.786 1.514 5.350 1.9166 1.9802 -0.1285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13366 3931SOL OW13364 2.190 0.869 4.133 0.4048 0.4123 -0.1915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13367 3931SOL HW113365 2.150 0.869 4.041 -2.1558 0.1069 0.8317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13368 3931SOL HW213366 2.166 0.784 4.179 0.3509 1.1898 1.2557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13369 3932SOL OW13367 3.518 0.925 4.444 0.3797 -0.0268 -0.4655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13370 3932SOL HW113368 3.544 0.937 4.540 -0.4219 -2.0931 0.0655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13371 3932SOL HW213369 3.576 0.854 4.403 -0.7191 -0.7449 -0.8359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13372 3933SOL OW13370 2.141 1.306 5.404 0.0485 -0.1125 0.4736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13373 3933SOL HW113371 2.199 1.237 5.361 -0.0633 0.5197 -0.7461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13374 3933SOL HW213372 2.048 1.269 5.414 -0.0121 -0.1537 -0.1738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13375 3934SOL OW13373 2.977 1.800 4.118 0.5489 -0.1296 -0.5507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13376 3934SOL HW113374 2.950 1.891 4.087 -0.6663 -0.6307 -1.0549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13377 3934SOL HW213375 2.903 1.735 4.097 -0.6527 -0.4869 3.8125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13378 3935SOL OW13376 1.955 0.057 4.993 0.3608 -0.0871 -0.7558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13379 3935SOL HW113377 1.862 0.055 4.956 0.2470 -0.2909 -0.4567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13380 3935SOL HW213378 2.020 0.049 4.918 0.1233 -1.0016 -0.8704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13381 3936SOL OW13379 3.782 1.351 3.971 -0.4913 0.1747 -0.4731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13382 3936SOL HW113380 3.735 1.426 3.924 -0.2890 0.6371 0.0574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13383 3936SOL HW213381 3.723 1.270 3.970 -1.1103 0.6102 -0.2321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13384 3937SOL OW13382 2.304 1.835 3.808 -0.2450 -0.0805 -0.4636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13385 3937SOL HW113383 2.383 1.887 3.838 1.2925 -0.7712 -2.9795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13386 3937SOL HW213384 2.220 1.888 3.825 0.8508 1.2734 0.9695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13387 3938SOL OW13385 3.324 7.186 4.103 -0.5005 -0.0207 -0.5376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13388 3938SOL HW113386 3.325 7.172 4.004 -0.2765 -0.5206 -0.4632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13389 3938SOL HW213387 3.363 7.276 4.125 0.9658 -0.5775 -0.7881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13390 3939SOL OW13388 1.917 1.904 4.770 0.1224 0.4167 0.9077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13391 3939SOL HW113389 1.960 1.814 4.769 1.6236 1.1129 0.1958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13392 3939SOL HW213390 1.823 1.895 4.736 0.5801 -0.7366 -0.1776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13393 3940SOL OW13391 2.712 1.681 4.674 0.5435 -0.1421 0.1905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13394 3940SOL HW113392 2.670 1.594 4.700 -0.3586 -0.3978 -1.9167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13395 3940SOL HW213393 2.740 1.678 4.578 3.3403 0.8651 0.8671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13396 3941SOL OW13394 2.156 0.651 4.311 -0.0220 -0.5881 0.2750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13397 3941SOL HW113395 2.098 0.620 4.386 0.1844 0.9202 1.0938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13398 3941SOL HW213396 2.249 0.667 4.344 -0.1550 1.0255 -0.0221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13399 3942SOL OW13397 3.240 0.279 5.216 0.0846 0.2525 -0.2250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13400 3942SOL HW113398 3.270 0.374 5.207 0.6226 0.3096 1.6782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13401 3942SOL HW213399 3.140 0.276 5.222 0.1446 1.0506 2.4527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13402 3943SOL OW13400 2.339 0.115 3.836 0.6020 0.4289 -0.6776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13403 3943SOL HW113401 2.379 0.030 3.801 -0.1699 -0.1609 -0.1522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13404 3943SOL HW213402 2.272 0.150 3.770 1.4310 1.0355 -1.2275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13405 3944SOL OW13403 2.540 0.198 5.410 -0.0922 0.5048 0.0976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13406 3944SOL HW113404 2.618 0.145 5.442 0.8118 1.5864 -0.2637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13407 3944SOL HW213405 2.494 0.148 5.337 -1.7906 -1.6993 2.4779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13408 3945SOL OW13406 2.475 1.465 4.725 0.0248 -0.6903 0.1754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13409 3945SOL HW113407 2.459 1.440 4.630 0.6491 -0.0216 -0.1122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13410 3945SOL HW213408 2.491 1.382 4.779 -3.1048 -1.3338 0.2863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13411 3946SOL OW13409 3.243 0.556 5.203 0.2302 -0.0866 -0.1356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13412 3946SOL HW113410 3.162 0.562 5.262 -0.3647 -0.0741 -0.9457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13413 3946SOL HW213411 3.321 0.597 5.251 -0.5851 1.3259 0.0545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13414 3947SOL OW13412 2.410 1.367 4.451 0.0755 0.2144 -0.7346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13415 3947SOL HW113413 2.429 1.304 4.375 -0.6152 -0.3551 -0.4402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13416 3947SOL HW213414 2.369 1.451 4.414 -0.0591 0.0292 -1.0137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13417 3948SOL OW13415 2.950 0.774 4.599 -0.4367 0.3626 -0.7540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13418 3948SOL HW113416 2.887 0.713 4.551 0.0866 -1.1360 0.3927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13419 3948SOL HW213417 3.026 0.721 4.637 -0.0253 1.7036 0.3817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13420 3949SOL OW13418 2.604 0.096 4.193 -0.6298 0.3497 0.0596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13421 3949SOL HW113419 2.542 0.115 4.269 -3.0529 -0.3062 -1.6483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13422 3949SOL HW213420 2.597 0.170 4.126 0.0683 0.0089 -0.3964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13423 3950SOL OW13421 3.386 1.277 3.773 0.2466 -0.2412 -0.1296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13424 3950SOL HW113422 3.438 1.192 3.765 0.1411 -0.5301 1.7130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13425 3950SOL HW213423 3.394 1.329 3.689 4.2516 0.1175 0.2863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13426 3951SOL OW13424 2.148 0.257 4.008 0.2354 0.7002 0.1353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13427 3951SOL HW113425 2.216 0.219 3.945 -1.5262 -0.0831 -1.3986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13428 3951SOL HW213426 2.132 0.193 4.083 -0.6765 -0.3542 -0.9226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13429 3952SOL OW13427 2.984 0.110 4.143 0.9014 -0.0077 -0.2113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13430 3952SOL HW113428 2.944 0.104 4.052 -0.1620 -0.3125 0.2675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13431 3952SOL HW213429 3.080 0.137 4.135 0.3406 1.8764 -1.3391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13432 3953SOL OW13430 2.801 0.781 5.282 -1.1463 0.2576 -0.0037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13433 3953SOL HW113431 2.724 0.722 5.308 -1.0613 -0.0318 -0.3911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13434 3953SOL HW213432 2.863 0.792 5.359 -1.2197 -0.0681 0.1017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13435 3954SOL OW13433 2.940 1.543 4.460 0.0913 0.4376 0.9827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13436 3954SOL HW113434 2.968 1.632 4.425 1.3962 0.0280 0.9303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13437 3954SOL HW213435 2.967 1.471 4.396 -1.0076 -0.0109 0.9911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13438 3955SOL OW13436 2.375 1.129 4.293 -0.1984 -0.4731 0.0942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13439 3955SOL HW113437 2.287 1.095 4.325 -0.7187 1.7024 1.1249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13440 3955SOL HW213438 2.383 1.112 4.194 -2.1615 0.0374 -0.1976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13441 3956SOL OW13439 2.888 0.521 3.832 -0.3717 -0.5157 0.7271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13442 3956SOL HW113440 2.886 0.587 3.757 1.4264 0.2141 1.2936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13443 3956SOL HW213441 2.979 0.517 3.872 -1.4013 -0.5058 3.2536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13444 3957SOL OW13442 2.034 0.469 4.983 -0.4516 0.2100 -0.4320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13445 3957SOL HW113443 2.001 0.406 5.054 -0.5353 -0.0698 -0.7177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13446 3957SOL HW213444 2.016 0.564 5.012 1.8018 0.2544 1.0862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13447 3958SOL OW13445 2.464 0.109 5.136 -0.5454 0.3241 0.2098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13448 3958SOL HW113446 2.384 0.151 5.180 -0.9774 -1.2603 0.9920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13449 3958SOL HW213447 2.494 0.168 5.060 -1.8017 1.4704 0.5499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13450 3959SOL OW13448 2.762 0.586 4.504 -0.4618 0.0291 0.0987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13451 3959SOL HW113449 2.733 0.576 4.409 -0.1574 -2.2225 0.1964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13452 3959SOL HW213450 2.786 0.497 4.541 1.8457 1.1400 1.5371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13453 3960SOL OW13451 2.836 0.223 4.346 0.5060 0.1715 -0.3851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13454 3960SOL HW113452 2.902 0.189 4.279 0.3167 -2.0887 0.4572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13455 3960SOL HW213453 2.753 0.254 4.299 1.6180 1.7684 -1.3556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13456 3961SOL OW13454 3.352 1.182 4.763 0.0864 0.0187 0.2837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13457 3961SOL HW113455 3.369 1.279 4.746 -0.9986 0.4475 1.4455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13458 3961SOL HW213456 3.254 1.164 4.751 0.3877 -1.1122 -0.6428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13459 3962SOL OW13457 3.170 0.563 4.578 -0.0844 -0.8252 0.2543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13460 3962SOL HW113458 3.137 0.470 4.588 -0.2202 -0.6976 1.0254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13461 3962SOL HW213459 3.244 0.580 4.643 1.3329 -1.0204 -1.2568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13462 3963SOL OW13460 3.924 0.607 4.028 0.1505 -0.3716 -0.4284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13463 3963SOL HW113461 3.921 0.569 4.120 0.5675 -2.0894 -1.0866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13464 3963SOL HW213462 3.847 0.573 3.974 -0.9126 1.7464 -0.3492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13465 3964SOL OW13463 2.345 1.215 3.809 -0.3735 0.5103 0.5287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13466 3964SOL HW113464 2.345 1.184 3.904 0.4284 -0.0708 0.3469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13467 3964SOL HW213465 2.252 1.243 3.784 -0.4293 1.5086 1.7371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13468 3965SOL OW13466 3.376 1.355 4.185 -0.0812 -0.6070 -0.0572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13469 3965SOL HW113467 3.475 1.368 4.179 -0.1039 -0.2522 0.2794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13470 3965SOL HW213468 3.337 1.424 4.247 -0.8342 0.7770 -1.9661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13471 3966SOL OW13469 3.269 0.647 3.787 -0.0231 0.3747 0.4352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13472 3966SOL HW113470 3.251 0.590 3.868 1.0645 -2.1313 -0.9548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13473 3966SOL HW213471 3.366 0.672 3.785 -0.0442 0.4232 -0.0724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13474 3967SOL OW13472 2.523 0.279 3.999 0.6946 -0.0155 0.6456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13475 3967SOL HW113473 2.478 0.209 3.943 0.4771 0.3957 0.2946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13476 3967SOL HW213474 2.532 0.363 3.945 3.3826 -0.5571 0.1137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13477 3968SOL OW13475 3.582 1.364 5.256 0.2530 -0.5585 0.2741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13478 3968SOL HW113476 3.667 1.311 5.255 0.4355 -0.3057 1.1588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13479 3968SOL HW213477 3.577 1.416 5.341 -1.0034 -0.9130 0.4291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13480 3969SOL OW13478 2.526 1.239 4.975 -0.1172 -0.0820 -0.1248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13481 3969SOL HW113479 2.469 1.157 4.973 -1.0412 0.5609 -0.7482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13482 3969SOL HW213480 2.532 1.273 5.069 -1.6406 0.4297 -0.1879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13483 3970SOL OW13481 3.188 1.917 5.686 -0.2936 0.5321 0.0965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13484 3970SOL HW113482 3.169 1.855 5.762 2.6171 -2.5284 -1.4532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13485 3970SOL HW213483 3.123 1.899 5.612 -0.9665 1.1330 0.5166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13486 3971SOL OW13484 2.760 1.294 4.831 -0.4894 0.1967 0.2792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13487 3971SOL HW113485 2.669 1.271 4.865 -0.8758 1.4531 0.1220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13488 3971SOL HW213486 2.753 1.332 4.739 0.0417 1.6338 0.8107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13489 3972SOL OW13487 3.600 1.385 4.816 0.3303 0.0284 -0.3260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13490 3972SOL HW113488 3.576 1.430 4.902 0.0204 -0.4802 -0.1400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13491 3972SOL HW213489 3.533 1.410 4.746 -0.2872 -0.7394 -0.0220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13492 3973SOL OW13490 2.967 7.213 5.064 0.1239 -0.3456 0.1406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13493 3973SOL HW113491 2.869 7.194 5.060 0.0304 0.3923 -1.9975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13494 3973SOL HW213492 2.982 7.306 5.096 0.0689 -0.0606 -0.6772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13495 3974SOL OW13493 2.430 0.863 5.436 -0.8702 -0.1372 0.2240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13496 3974SOL HW113494 2.411 0.947 5.488 0.1281 0.6549 -0.6297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13497 3974SOL HW213495 2.473 0.888 5.349 -0.0080 -1.5868 0.2149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13498 3975SOL OW13496 2.639 0.891 4.201 -0.3020 -0.4116 -0.7464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13499 3975SOL HW113497 2.660 0.905 4.298 -0.8616 -1.2266 -0.4988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13500 3975SOL HW213498 2.724 0.898 4.148 -0.3269 2.6339 -0.5563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13501 3976SOL OW13499 2.436 0.766 4.839 0.1965 -0.1053 -0.2402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13502 3976SOL HW113500 2.457 0.792 4.933 1.6248 0.3815 -0.6628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13503 3976SOL HW213501 2.349 0.718 4.836 0.4313 -0.7001 1.4149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13504 3977SOL OW13502 3.235 0.507 4.954 0.5189 0.0727 0.3561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13505 3977SOL HW113503 3.239 0.529 5.052 2.4475 0.2143 0.2876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13506 3977SOL HW213504 3.143 0.476 4.931 -0.6347 2.1523 1.7415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13507 3978SOL OW13505 1.841 1.604 4.934 0.1057 0.1287 0.1482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13508 3978SOL HW113506 1.898 1.537 4.982 0.1201 -0.2452 -0.3756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13509 3978SOL HW213507 1.883 1.627 4.846 -0.9835 -0.8863 -0.6970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13510 3979SOL OW13508 2.213 1.179 4.044 -0.1880 -0.5073 -0.1828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13511 3979SOL HW113509 2.166 1.263 4.070 1.5268 -0.0414 1.6788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13512 3979SOL HW213510 2.178 1.103 4.099 -1.7492 -1.1100 -1.8752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13513 3980SOL OW13511 2.243 0.454 4.568 -0.4131 -0.3135 0.1629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13514 3980SOL HW113512 2.150 0.486 4.552 -1.2794 -1.8125 1.8802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13515 3980SOL HW213513 2.308 0.524 4.538 -2.0533 0.6610 -1.3022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13516 3981SOL OW13514 3.184 1.266 4.445 -0.7873 0.1546 0.0020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13517 3981SOL HW113515 3.241 1.348 4.442 -0.7660 0.1515 0.3441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13518 3981SOL HW213516 3.110 1.275 4.378 -0.7161 0.3986 -0.0456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13519 3982SOL OW13517 2.908 1.478 4.984 0.2430 -0.1579 0.5373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13520 3982SOL HW113518 2.979 1.451 5.049 1.3639 -1.3942 -1.0960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13521 3982SOL HW213519 2.862 1.397 4.948 -0.9521 0.5488 0.4321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13522 3983SOL OW13520 3.370 0.679 4.101 0.2165 0.0246 0.0722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13523 3983SOL HW113521 3.295 0.683 4.167 -0.5829 1.0012 -0.8525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13524 3983SOL HW213522 3.369 0.762 4.045 2.3251 0.3000 0.3726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13525 3984SOL OW13523 1.995 1.638 4.719 0.2090 0.0649 0.1738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13526 3984SOL HW113524 1.997 1.598 4.628 0.2999 0.1042 0.1583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13527 3984SOL HW213525 2.083 1.624 4.764 -0.1904 -0.9334 0.6815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13528 3985SOL OW13526 2.580 0.725 5.613 -0.8055 -0.6072 0.3551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13529 3985SOL HW113527 2.528 0.787 5.553 0.1096 -0.2465 -0.0915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13530 3985SOL HW213528 2.517 0.669 5.666 -1.6488 -0.3638 -0.3632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13531 3986SOL OW13529 3.399 0.936 5.354 -0.0530 -0.0010 -0.1790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13532 3986SOL HW113530 3.302 0.951 5.373 0.1445 0.7660 0.2693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13533 3986SOL HW213531 3.421 0.972 5.263 -0.6544 -2.2352 -1.2928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13534 3987SOL OW13532 2.756 0.080 5.484 -0.8914 -0.2653 0.1114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13535 3987SOL HW113533 2.773 0.153 5.550 -1.1032 -0.3468 0.2579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13536 3987SOL HW213534 2.800 -0.004 5.516 -0.9681 -0.2972 0.1323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13537 3988SOL OW13535 2.163 0.169 5.462 0.6502 -0.0107 -0.4706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13538 3988SOL HW113536 2.103 0.220 5.523 0.2304 -1.1928 0.1467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13539 3988SOL HW213537 2.157 0.206 5.369 0.9820 1.5422 0.1080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13540 3989SOL OW13538 2.528 0.976 4.682 0.2530 0.3578 -0.1488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13541 3989SOL HW113539 2.450 1.038 4.676 1.4049 2.0455 1.1335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13542 3989SOL HW213540 2.505 0.898 4.740 -0.6295 0.5678 -0.2050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13543 3990SOL OW13541 3.083 1.185 4.702 -0.3634 0.7968 0.2282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13544 3990SOL HW113542 3.109 1.252 4.632 -1.6930 0.7375 -0.3511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13545 3990SOL HW213543 2.989 1.201 4.731 -0.2216 0.0694 1.1477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13546 3991SOL OW13544 3.170 0.480 3.957 -0.0138 -0.3961 -0.2116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13547 3991SOL HW113545 3.210 0.395 3.990 0.9964 0.5637 1.1320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13548 3991SOL HW213546 3.161 0.545 4.032 -4.6254 -0.6476 -0.2682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13549 3992SOL OW13547 1.883 0.378 4.766 -0.1747 0.4279 -0.1359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13550 3992SOL HW113548 1.926 0.406 4.852 -0.1896 -0.3253 0.1221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13551 3992SOL HW213549 1.952 0.375 4.693 0.3053 -1.0526 0.3363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13552 3993SOL OW13550 1.772 1.161 5.030 -0.1873 0.3587 -0.1912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13553 3993SOL HW113551 1.865 1.148 5.064 -0.0797 -0.4141 -0.7495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13554 3993SOL HW213552 1.727 1.232 5.083 0.2528 -0.2216 1.0034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13555 3994SOL OW13553 2.596 0.546 4.746 -0.1324 -0.7039 -0.5475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13556 3994SOL HW113554 2.608 0.536 4.647 -0.7812 1.6786 -0.9243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13557 3994SOL HW213555 2.549 0.632 4.766 -1.6786 -1.9718 1.7655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13558 3995SOL OW13556 3.581 0.933 5.567 -0.3306 -0.3134 0.7151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13559 3995SOL HW113557 3.513 0.926 5.493 0.6626 -2.3005 -0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13560 3995SOL HW213558 3.577 0.851 5.624 -0.0037 0.5124 1.9624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13561 3996SOL OW13559 2.485 0.192 4.423 0.0535 -0.1077 -1.1338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13562 3996SOL HW113560 2.386 0.201 4.430 0.2718 1.6418 0.6066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13563 3996SOL HW213561 2.523 0.169 4.513 1.2965 0.3230 -1.5286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13564 3997SOL OW13562 3.525 0.454 4.116 0.2490 -0.1907 -0.3200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13565 3997SOL HW113563 3.456 0.382 4.107 0.7021 -0.6748 0.0402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13566 3997SOL HW213564 3.480 0.543 4.119 -0.3137 -0.4499 -0.8276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13567 3998SOL OW13565 2.941 0.851 4.858 0.0449 0.0972 -0.3331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13568 3998SOL HW113566 2.969 0.777 4.919 -1.8137 -1.0734 -0.8043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13569 3998SOL HW213567 2.941 0.819 4.763 -1.0320 0.5867 -0.5223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13570 3999SOL OW13568 2.523 1.373 5.230 -0.1416 -0.2637 0.5726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13571 3999SOL HW113569 2.556 1.452 5.179 1.4953 -1.7135 -0.7466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13572 3999SOL HW213570 2.598 1.335 5.284 -0.8291 -1.0644 0.9778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13573 4000SOL OW13571 3.527 1.675 5.330 -0.4711 -0.4801 0.4028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13574 4000SOL HW113572 3.574 1.708 5.248 -0.7923 -2.1565 -0.4898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13575 4000SOL HW213573 3.556 1.729 5.409 4.0049 -2.1869 0.1924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13576 4001SOL OW13574 2.141 0.651 5.448 0.0860 -0.4750 -0.2471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13577 4001SOL HW113575 2.092 0.653 5.536 -0.4486 2.4795 -0.4797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13578 4001SOL HW213576 2.238 0.673 5.464 0.0349 -0.1662 -0.3457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13579 4002SOL OW13577 3.365 0.038 3.599 0.0132 0.4959 0.2628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13580 4002SOL HW113578 3.322 -0.012 3.674 -0.6365 1.6147 0.6494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13581 4002SOL HW213579 3.418 -0.025 3.543 0.8030 -0.3057 1.8572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13582 4003SOL OW13580 3.150 0.894 3.745 0.6530 -0.2136 0.3900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13583 4003SOL HW113581 3.167 0.798 3.768 -1.5895 -1.0590 -1.0308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13584 4003SOL HW213582 3.170 0.908 3.648 -1.8514 -0.1047 -0.1786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13585 4004SOL OW13583 2.731 1.393 4.577 -0.3942 -0.2211 -0.3582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13586 4004SOL HW113584 2.654 1.361 4.521 -1.3585 1.1194 0.1593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13587 4004SOL HW213585 2.783 1.461 4.527 -1.3589 1.1082 0.3901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13588 4005SOL OW13586 2.201 0.910 4.590 0.5303 0.5969 -0.0527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13589 4005SOL HW113587 2.210 0.969 4.670 0.7308 -0.7142 0.9293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13590 4005SOL HW213588 2.281 0.921 4.531 0.0943 2.0292 -0.4277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13591 4006SOL OW13589 2.251 0.259 4.748 -0.7778 -0.2583 0.1204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13592 4006SOL HW113590 2.175 0.195 4.750 -0.9057 -0.1607 -1.0314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13593 4006SOL HW213591 2.234 0.330 4.680 -0.5223 0.8733 1.1853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13594 4007SOL OW13592 2.834 0.404 5.410 -0.1775 0.1719 -0.1089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13595 4007SOL HW113593 2.797 0.392 5.501 -3.2843 1.9125 -1.0186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13596 4007SOL HW213594 2.932 0.425 5.416 -0.7638 2.7201 3.0140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13597 4008SOL OW13595 2.966 0.190 5.180 -0.8287 0.1485 0.6284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13598 4008SOL HW113596 2.877 0.208 5.221 -0.7524 -1.8306 1.7733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13599 4008SOL HW213597 2.979 0.249 5.101 -3.8405 -0.5680 -0.5304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13600 4009SOL OW13598 2.089 1.256 3.735 0.4500 -0.1941 -0.3608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13601 4009SOL HW113599 2.060 1.346 3.767 -0.2166 -0.3083 -0.6211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13602 4009SOL HW213600 2.016 1.189 3.753 0.1650 -0.3140 -1.8181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13603 4010SOL OW13601 1.807 1.718 4.448 -0.2074 0.1040 -0.4279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13604 4010SOL HW113602 1.775 1.640 4.503 0.0215 -0.0330 -0.4896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13605 4010SOL HW213603 1.877 1.768 4.498 1.8307 -1.4538 -1.5481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13606 4011SOL OW13604 2.232 1.696 4.436 -0.0123 0.0290 0.1688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13607 4011SOL HW113605 2.319 1.716 4.482 0.2091 -0.5810 0.0264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13608 4011SOL HW213606 2.250 1.653 4.348 -0.4425 0.9272 -0.3746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13609 4012SOL OW13607 2.950 0.667 5.035 -0.9561 -0.2037 -0.6308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13610 4012SOL HW113608 2.909 0.714 5.113 0.0150 0.6637 -0.6368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13611 4012SOL HW213609 2.883 0.602 4.997 -1.4883 -0.5371 0.8190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13612 4013SOL OW13610 1.610 0.390 4.795 -0.6532 0.4912 0.1829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13613 4013SOL HW113611 1.703 0.397 4.760 -0.6525 0.0572 0.0870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13614 4013SOL HW213612 1.567 0.307 4.759 -0.8220 0.2929 0.8187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13615 4014SOL OW13613 1.884 0.481 5.447 -0.1677 0.2166 0.1018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13616 4014SOL HW113614 1.975 0.522 5.438 -0.2979 0.6830 0.8735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13617 4014SOL HW213615 1.815 0.554 5.455 -0.4870 -0.1410 0.6953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13618 4015SOL OW13616 3.124 0.970 5.358 -0.0154 0.0260 0.5921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13619 4015SOL HW113617 3.125 1.069 5.362 -0.3745 0.1020 -0.7702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13620 4015SOL HW213618 3.119 0.940 5.263 -0.2710 -1.2939 0.9936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13621 4016SOL OW13619 2.657 0.615 4.223 -0.0404 0.1616 -0.4181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13622 4016SOL HW113620 2.595 0.537 4.216 -0.2486 0.4805 -3.1063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13623 4016SOL HW213621 2.611 0.698 4.194 0.7469 0.9899 0.6009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13624 4017SOL OW13622 3.413 0.552 4.733 -0.5165 -0.0507 -0.2373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13625 4017SOL HW113623 3.352 0.567 4.812 -1.0309 0.7672 -0.7770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13626 4017SOL HW213624 3.507 0.547 4.765 -0.5635 1.8567 0.2852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13627 4018SOL OW13625 2.195 1.508 5.219 -0.3819 0.0912 -0.7199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13628 4018SOL HW113626 2.192 1.442 5.295 -1.5552 0.9688 0.0337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13629 4018SOL HW213627 2.143 1.472 5.142 0.8544 -0.8272 -1.1699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13630 4019SOL OW13628 2.756 0.512 4.974 -0.0215 -0.6146 0.0690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13631 4019SOL HW113629 2.712 0.450 5.040 -1.6927 1.0171 0.5732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13632 4019SOL HW213630 2.693 0.529 4.898 0.7240 -0.1243 -0.4492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13633 4020SOL OW13631 2.669 1.578 5.131 0.2301 -0.9058 0.2052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13634 4020SOL HW113632 2.746 1.539 5.079 -0.1992 -1.4814 -0.0092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13635 4020SOL HW213633 2.664 1.677 5.114 0.1510 -1.0684 -0.7979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13636 4021SOL OW13634 2.563 0.511 3.880 0.3000 0.6486 -0.2530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13637 4021SOL HW113635 2.658 0.537 3.891 0.3296 -0.3221 2.5817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13638 4021SOL HW213636 2.504 0.576 3.927 -0.1183 -0.5508 0.9653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13639 4022SOL OW13637 2.013 1.095 5.169 0.0710 0.6451 -0.3686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13640 4022SOL HW113638 2.010 1.058 5.262 2.0163 -0.0859 -0.5415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13641 4022SOL HW213639 2.082 1.045 5.117 -0.2871 1.7222 -1.9125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13642 4023SOL OW13640 2.948 1.117 4.952 -0.8452 0.1659 -0.4952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13643 4023SOL HW113641 2.940 1.023 4.919 -0.0156 0.5085 -1.7244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13644 4023SOL HW213642 2.878 1.174 4.910 0.5047 0.7029 -2.1170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13645 4024SOL OW13643 3.366 0.906 3.933 -0.4327 0.4100 0.2746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13646 4024SOL HW113644 3.364 0.984 3.997 -1.0923 0.4882 0.1620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13647 4024SOL HW213645 3.293 0.916 3.866 -2.3832 -1.7202 1.9307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13648 4025SOL OW13646 3.438 1.784 4.877 -0.0124 0.6605 0.1886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13649 4025SOL HW113647 3.452 1.803 4.780 0.6579 -0.3999 0.0566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13650 4025SOL HW213648 3.432 1.685 4.891 2.4726 0.6235 1.5340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13651 4026SOL OW13649 2.985 1.751 4.945 0.5254 -0.3177 0.6142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13652 4026SOL HW113650 3.081 1.766 4.969 1.0415 -0.4584 -1.2162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13653 4026SOL HW213651 2.965 1.653 4.951 0.6978 -0.3725 0.3229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13654 4027SOL OW13652 2.014 1.078 4.793 0.5970 0.3293 -0.1320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13655 4027SOL HW113653 2.048 1.171 4.780 0.3388 0.5956 0.9759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13656 4027SOL HW213654 1.933 1.064 4.736 -0.2547 1.3074 0.7937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13657 4028SOL OW13655 2.444 1.667 5.452 0.4231 -0.0712 0.2815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13658 4028SOL HW113656 2.361 1.688 5.401 0.0247 0.7949 1.2671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13659 4028SOL HW213657 2.502 1.606 5.398 0.7508 2.0294 -1.8814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13660 4029SOL OW13658 3.501 0.114 4.226 -0.5765 -0.2153 0.1749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13661 4029SOL HW113659 3.551 0.108 4.140 1.4063 -1.0497 1.3077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13662 4029SOL HW213660 3.556 0.164 4.293 -2.2477 0.7728 0.8827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13663 4030SOL OW13661 3.211 1.632 4.121 -0.3516 0.3006 0.5078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13664 4030SOL HW113662 3.256 1.605 4.035 0.5994 -0.4557 1.2203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13665 4030SOL HW213663 3.131 1.689 4.100 -1.1531 -1.2536 -0.9704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13666 4031SOL OW13664 1.878 1.775 5.562 -0.1675 -0.1667 0.7049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13667 4031SOL HW113665 1.821 1.715 5.619 0.3903 0.1836 1.6690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13668 4031SOL HW213666 1.964 1.793 5.610 -0.5791 1.9311 0.7712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13669 4032SOL OW13667 3.260 0.968 4.416 -0.4055 -0.6185 -0.0731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13670 4032SOL HW113668 3.359 0.963 4.425 -0.3510 -0.1025 -0.3072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13671 4032SOL HW213669 3.223 1.033 4.483 -0.2637 1.3122 -1.7351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13672 4033SOL OW13670 2.366 1.017 5.025 -0.4005 0.4130 0.3987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13673 4033SOL HW113671 2.418 0.940 5.063 1.3444 0.1043 -2.3430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13674 4033SOL HW213672 2.277 0.986 4.994 0.0974 -0.4404 -0.2286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13675 4034SOL OW13673 2.728 1.655 4.055 -0.1721 0.0596 0.0369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13676 4034SOL HW113674 2.695 1.635 3.963 1.3303 0.0520 -0.5346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13677 4034SOL HW213675 2.686 1.739 4.089 -2.8069 -1.3249 0.4715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13678 4035SOL OW13676 3.237 1.785 5.051 -0.1277 0.0230 0.3506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13679 4035SOL HW113677 3.289 1.786 4.966 -2.0294 1.4630 -0.9075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13680 4035SOL HW213678 3.242 1.875 5.094 1.2040 -0.8240 2.0775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13681 4036SOL OW13679 3.695 0.111 4.716 -0.1404 -0.1953 -0.1144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13682 4036SOL HW113680 3.695 0.011 4.727 -0.6831 -0.2068 -0.2038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13683 4036SOL HW213681 3.611 0.139 4.670 0.3355 0.2331 -0.7426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13684 4037SOL OW13682 2.188 0.246 4.385 -0.2198 0.4855 0.3754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13685 4037SOL HW113683 2.223 0.337 4.363 -1.7167 1.0797 0.3651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13686 4037SOL HW213684 2.101 0.254 4.433 -0.6508 -0.9655 -0.1192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13687 4038SOL OW13685 2.824 1.486 3.678 0.4110 -0.1943 0.1300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13688 4038SOL HW113686 2.865 1.411 3.730 -1.2332 0.4262 2.4943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13689 4038SOL HW213687 2.811 1.458 3.583 0.0356 -2.8467 0.8854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13690 4039SOL OW13688 2.689 0.912 4.950 -0.2008 0.0050 0.1971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13691 4039SOL HW113689 2.772 0.860 4.927 0.9420 1.1934 1.4061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13692 4039SOL HW213690 2.647 0.947 4.867 0.0823 -1.2271 -0.4943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13693 4040SOL OW13691 2.891 0.924 4.087 -0.5228 -0.1525 0.1003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13694 4040SOL HW113692 2.911 0.933 3.990 0.0725 -0.2535 0.2102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13695 4040SOL HW213693 2.945 0.991 4.139 -1.6713 0.6767 0.2724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13696 4041SOL OW13694 3.562 1.500 3.894 -0.5891 0.3637 0.3863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13697 4041SOL HW113695 3.500 1.422 3.883 -1.5752 1.4134 -2.8728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13698 4041SOL HW213696 3.526 1.578 3.843 1.8101 2.0769 1.1268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13699 4042SOL OW13697 2.044 1.360 5.036 -0.0875 -0.6777 -0.1366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13700 4042SOL HW113698 2.027 1.381 4.939 -1.9007 -1.1115 0.0576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13701 4042SOL HW213699 2.099 1.277 5.043 1.0446 -0.0026 -0.8008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13702 4043SOL OW13700 3.497 1.511 5.043 -0.8173 0.7118 0.5777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13703 4043SOL HW113701 3.550 1.505 5.127 -0.9256 0.9082 0.6611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13704 4043SOL HW213702 3.401 1.488 5.063 -1.7076 4.3986 1.3287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13705 4044SOL OW13703 3.007 1.018 4.326 -0.1887 -0.0518 -0.2364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13706 4044SOL HW113704 2.932 0.991 4.386 0.1008 -0.6128 -0.1219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13707 4044SOL HW213705 3.094 0.987 4.364 0.2795 1.9639 0.4411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13708 4045SOL OW13706 2.769 0.314 4.585 -0.5513 0.5140 -0.4122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13709 4045SOL HW113707 2.807 0.272 4.503 -0.6175 -0.2960 -0.0478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13710 4045SOL HW213708 2.727 0.243 4.642 0.6981 0.8309 0.9857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13711 4046SOL OW13709 2.627 1.500 4.270 0.0668 -0.1507 -0.1108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13712 4046SOL HW113710 2.645 1.402 4.277 0.4303 -0.0295 0.9117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13713 4046SOL HW213711 2.665 1.536 4.185 1.3442 -0.5996 0.2562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13714 4047SOL OW13712 3.771 0.424 5.086 0.5398 -0.2991 -0.2148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13715 4047SOL HW113713 3.776 0.517 5.048 -0.7704 0.0676 0.4424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13716 4047SOL HW213714 3.717 0.366 5.026 0.8683 -0.4803 -0.3346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13717 4048SOL OW13715 2.047 1.401 4.125 0.1104 0.6108 0.1588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13718 4048SOL HW113716 2.013 1.421 4.033 0.9519 -0.2909 -0.3647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13719 4048SOL HW213717 2.026 1.478 4.185 -1.0708 0.9181 -0.6117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13720 4049SOL OW13718 1.977 0.829 5.313 0.5936 0.4646 -0.2141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13721 4049SOL HW113719 1.902 0.838 5.379 0.0441 -0.3065 -0.7178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13722 4049SOL HW213720 2.049 0.771 5.351 1.0889 1.4595 0.3944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13723 4050SOL OW13721 2.702 0.333 5.189 0.1164 0.4377 0.6938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13724 4050SOL HW113722 2.762 0.376 5.256 -1.0576 0.7407 1.5869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13725 4050SOL HW213723 2.655 0.256 5.232 -0.3404 0.3793 0.0971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13726 4051SOL OW13724 1.924 0.532 3.698 -0.2381 -0.1137 0.0362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13727 4051SOL HW113725 1.872 0.482 3.629 -1.8503 1.5960 -0.0961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13728 4051SOL HW213726 2.010 0.565 3.658 -0.0625 -1.1094 -0.4338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13729 4052SOL OW13727 3.138 0.891 5.104 -0.1322 0.1416 0.0210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13730 4052SOL HW113728 3.111 0.795 5.094 0.0315 -0.0432 1.2738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13731 4052SOL HW213729 3.198 0.916 5.028 0.5999 -1.0332 0.1828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13732 4053SOL OW13730 1.948 0.414 3.958 0.4957 0.1678 -0.4989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13733 4053SOL HW113731 1.936 0.430 3.860 -0.2944 -1.0119 -0.6091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13734 4053SOL HW213732 2.035 0.366 3.974 0.4822 0.0951 -0.6482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13735 4054SOL OW13733 3.080 1.179 4.017 0.0859 -0.0814 -0.0944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13736 4054SOL HW113734 3.080 1.229 4.104 2.4580 -0.4327 0.1926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13737 4054SOL HW213735 3.143 1.102 4.024 -0.2090 -0.5279 -1.9206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13738 4055SOL OW13736 2.498 0.809 5.127 -0.6006 0.1843 -0.2888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13739 4055SOL HW113737 2.572 0.831 5.063 -0.5751 -2.0889 -1.1498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13740 4055SOL HW213738 2.521 0.726 5.177 -1.1667 1.2565 1.8797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13741 4056SOL OW13739 2.374 0.421 5.399 0.0798 -0.1522 0.6875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13742 4056SOL HW113740 2.308 0.452 5.467 -1.2572 0.7239 -0.9189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13743 4056SOL HW213741 2.438 0.358 5.441 -1.0734 -0.1354 2.5940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13744 4057SOL OW13742 3.316 1.287 5.221 -0.2162 -0.3896 -0.6487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13745 4057SOL HW113743 3.274 1.280 5.311 -0.5681 1.1645 -0.6588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13746 4057SOL HW213744 3.395 1.348 5.225 -1.2268 1.0570 -1.6840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13747 4058SOL OW13745 2.210 1.749 5.349 -0.1496 0.7282 -0.4058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13748 4058SOL HW113746 2.121 1.793 5.340 -2.0460 -1.6455 3.5957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13749 4058SOL HW213747 2.211 1.666 5.293 -0.2975 0.9504 -0.7420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13750 4059SOL OW13748 3.232 0.920 4.851 -0.2076 0.2170 0.3812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13751 4059SOL HW113749 3.271 0.964 4.770 -2.2028 -2.0058 -1.9663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13752 4059SOL HW213750 3.136 0.946 4.859 -0.2971 -0.3881 1.4687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13753 4060SOL OW13751 3.307 0.290 4.093 -0.3152 0.0561 0.1935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13754 4060SOL HW113752 3.381 0.227 4.116 -0.3669 -0.3835 -0.7648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13755 4060SOL HW213753 3.244 0.298 4.170 1.0569 0.9469 1.2649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13756 4061SOL OW13754 2.399 0.650 4.430 -0.2251 -0.1853 0.4374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13757 4061SOL HW113755 2.414 0.748 4.447 0.9559 -0.2085 -0.3807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13758 4061SOL HW213756 2.469 0.615 4.369 -2.1447 -0.9668 -1.4551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13759 4062SOL OW13757 3.461 0.114 5.195 0.0753 0.0099 0.6745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13760 4062SOL HW113758 3.533 0.166 5.149 0.8832 -1.2989 0.4227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13761 4062SOL HW213759 3.380 0.172 5.206 0.8788 1.2475 0.2327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13762 4063SOL OW13760 3.473 1.083 5.149 0.2390 0.0565 -0.3482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13763 4063SOL HW113761 3.549 1.104 5.087 1.6364 0.0235 1.2847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13764 4063SOL HW213762 3.421 1.166 5.168 -0.1562 0.0833 -1.4732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13765 4064SOL OW13763 2.646 1.267 3.968 0.0002 -0.0757 -0.0754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13766 4064SOL HW113764 2.731 1.267 3.916 -1.0629 -0.8271 -1.9062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13767 4064SOL HW213765 2.596 1.351 3.951 -0.5046 -0.4659 -0.5541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13768 4065SOL OW13766 2.473 1.787 4.557 1.0754 0.1694 0.2142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13769 4065SOL HW113767 2.419 1.871 4.555 -2.5079 -1.8538 0.9709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13770 4065SOL HW213768 2.532 1.786 4.637 0.6365 1.6855 0.5817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13771 4066SOL OW13769 2.776 0.959 4.471 -0.3891 -1.1917 0.4403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13772 4066SOL HW113770 2.841 0.890 4.505 2.7688 1.2494 -0.1788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13773 4066SOL HW213771 2.760 1.027 4.543 -0.0261 -0.2750 -0.3415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13774 4067SOL OW13772 2.913 0.942 3.803 -0.3442 -0.1186 -0.1227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13775 4067SOL HW113773 2.871 0.982 3.722 -0.3046 -3.1679 -1.7621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13776 4067SOL HW213774 3.008 0.917 3.782 -0.5437 -1.5731 0.6361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13777 4068SOL OW13775 1.926 1.177 5.502 -0.1814 0.1639 0.0269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13778 4068SOL HW113776 1.940 1.093 5.555 -1.0511 0.3800 0.6247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13779 4068SOL HW213777 1.834 1.212 5.519 -0.9267 -0.3465 -2.5200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13780 4069SOL OW13778 1.968 1.255 4.371 0.4198 0.4642 -0.4726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13781 4069SOL HW113779 2.003 1.162 4.383 -0.3936 0.1364 -0.5428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13782 4069SOL HW213780 1.998 1.291 4.282 0.2544 0.0462 -0.6992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13783 4070SOL OW13781 2.340 1.173 5.272 -0.1039 0.0257 -0.0093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13784 4070SOL HW113782 2.348 1.105 5.199 0.5867 0.6150 -0.4948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13785 4070SOL HW213783 2.399 1.251 5.252 -0.9566 0.8253 0.4928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13786 4071SOL OW13784 3.596 0.244 4.976 0.5013 0.0513 0.3468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13787 4071SOL HW113785 3.498 0.255 4.959 0.3127 -2.1849 -0.2555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13788 4071SOL HW213786 3.642 0.221 4.890 1.3088 -0.4381 0.8996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13789 4072SOL OW13787 2.504 0.391 4.243 -0.3615 0.2045 -0.2509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13790 4072SOL HW113788 2.524 0.353 4.152 -0.5624 -0.6042 0.0396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13791 4072SOL HW213789 2.504 0.318 4.311 1.6354 1.0376 0.7290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13792 4073SOL OW13790 3.369 1.477 4.723 -0.0910 -0.4606 -0.0334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13793 4073SOL HW113791 3.270 1.471 4.738 0.2179 -1.5089 2.0264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13794 4073SOL HW213792 3.390 1.558 4.669 -2.1388 -0.7784 -1.3965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13795 4074SOL OW13793 2.242 0.567 4.816 0.0388 -0.0804 -0.5916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13796 4074SOL HW113794 2.267 0.505 4.742 -0.8031 -0.2918 -0.7126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13797 4074SOL HW213795 2.175 0.523 4.876 0.4751 0.2061 0.1194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13798 4075SOL OW13796 2.687 1.713 4.408 -0.1619 0.2315 0.0333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13799 4075SOL HW113797 2.673 1.622 4.371 0.4076 0.9868 -2.1457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13800 4075SOL HW213798 2.601 1.746 4.448 -0.7229 -0.7384 -0.3355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13801 4076SOL OW13799 3.346 0.261 4.855 0.0903 0.0621 -0.1741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13802 4076SOL HW113800 3.263 0.206 4.866 -0.3650 0.3505 -1.7845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13803 4076SOL HW213801 3.321 0.358 4.854 0.7831 0.2944 1.8071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13804 4077SOL OW13802 2.872 0.127 4.782 0.4376 0.1369 0.5919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13805 4077SOL HW113803 2.804 0.069 4.828 0.6338 0.4836 1.3330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13806 4077SOL HW213804 2.905 0.080 4.700 -2.2000 0.8003 -0.9822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13807 4078SOL OW13805 2.648 1.231 4.254 0.5709 -0.2242 0.5638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13808 4078SOL HW113806 2.594 1.149 4.271 -0.5245 0.6381 1.4742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13809 4078SOL HW213807 2.656 1.246 4.155 0.0964 -0.9786 0.4055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13810 4079SOL OW13808 2.258 1.609 4.826 0.1495 -0.0871 0.4351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13811 4079SOL HW113809 2.290 1.656 4.908 -0.1057 1.1072 -0.1363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13812 4079SOL HW213810 2.336 1.564 4.782 0.4920 0.2086 0.7294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13813 4080SOL OW13811 3.210 7.134 3.757 0.3013 -0.4741 -0.0323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13814 4080SOL HW113812 3.174 7.050 3.715 0.3004 -0.0438 -0.9201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13815 4080SOL HW213813 3.135 7.198 3.772 0.0344 -1.1960 2.1110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13816 4081SOL OW13814 3.153 0.366 4.328 0.3561 -0.0912 -0.2010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13817 4081SOL HW113815 3.092 0.438 4.295 1.5283 0.0696 -2.2052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13818 4081SOL HW213816 3.126 0.340 4.421 -0.7223 2.1946 0.2137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13819 4082SOL OW13817 3.445 0.222 4.619 0.0204 -0.1408 0.5907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13820 4082SOL HW113818 3.403 0.223 4.709 0.6358 0.7503 0.8760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13821 4082SOL HW213819 3.450 0.315 4.583 -1.6314 -0.6225 -1.0428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13822 4083SOL OW13820 1.895 0.975 4.067 0.0385 0.6247 0.4449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13823 4083SOL HW113821 1.958 0.923 4.009 -0.6711 2.1373 -1.8282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13824 4083SOL HW213822 1.855 0.914 4.136 1.7983 -0.9935 0.0996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13825 4084SOL OW13823 2.852 1.991 3.968 0.1036 -0.2023 -0.2267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13826 4084SOL HW113824 2.787 2.061 3.996 1.7516 1.5032 -0.5021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13827 4084SOL HW213825 2.804 1.919 3.918 -1.5758 0.9247 -0.3016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13828 4085SOL OW13826 1.984 0.666 5.674 -0.2905 0.1790 -0.0412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13829 4085SOL HW113827 1.889 0.670 5.645 -0.2898 0.2992 -0.0237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13830 4085SOL HW213828 1.989 0.627 5.766 -0.3171 0.1102 -0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13831 4086SOL OW13829 2.020 0.122 6.642 0.0459 0.1916 -0.0861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13832 4086SOL HW113830 1.978 0.094 6.728 -0.0582 -0.7728 -0.4455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13833 4086SOL HW213831 1.986 0.065 6.567 1.1629 0.1136 -0.5576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13834 4087SOL OW13832 1.551 0.504 6.057 -0.2334 -0.1820 0.2497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13835 4087SOL HW113833 1.498 0.537 6.136 -1.2240 1.7566 -1.1190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13836 4087SOL HW213834 1.501 0.431 6.012 -0.1902 -0.5446 0.7793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13837 4088SOL OW13835 2.277 1.371 6.903 0.1103 -0.0406 -0.1167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13838 4088SOL HW113836 2.224 1.452 6.879 0.5793 1.2451 2.7723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13839 4088SOL HW213837 2.216 1.296 6.927 -0.3209 -0.3305 -1.9545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13840 4089SOL OW13838 3.227 1.521 6.306 -0.0413 0.0834 -0.2108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13841 4089SOL HW113839 3.207 1.423 6.315 1.4975 -0.2755 -0.4071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13842 4089SOL HW213840 3.142 1.571 6.295 -0.8601 -1.2414 -0.1606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13843 4090SOL OW13841 2.936 0.697 6.305 0.0743 0.3131 -0.1982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13844 4090SOL HW113842 2.969 0.790 6.320 -0.5803 0.3407 1.1858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13845 4090SOL HW213843 2.875 0.670 6.380 0.9012 -1.5326 -0.1437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13846 4091SOL OW13844 3.763 0.604 5.470 -0.0590 -0.1988 -0.6614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13847 4091SOL HW113845 3.821 0.638 5.397 0.1282 -0.0650 -0.4508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13848 4091SOL HW213846 3.717 0.520 5.440 0.2650 -0.3212 -0.8190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13849 4092SOL OW13847 2.414 1.018 6.587 -0.0602 0.3646 -0.0870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13850 4092SOL HW113848 2.432 1.014 6.685 -2.7016 1.0724 0.5137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13851 4092SOL HW213849 2.395 1.113 6.561 -1.6280 -0.1093 -0.7792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13852 4093SOL OW13850 2.564 0.992 0.125 -0.4884 -0.1959 -0.6265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13853 4093SOL HW113851 2.594 0.956 0.214 0.8756 0.9077 -0.5949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13854 4093SOL HW213852 2.610 1.079 0.108 -1.1278 -0.1366 -2.2010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13855 4094SOL OW13853 2.455 0.867 6.233 -0.0779 0.0018 -0.2416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13856 4094SOL HW113854 2.528 0.911 6.287 -0.0525 0.6359 -0.7763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13857 4094SOL HW213855 2.375 0.926 6.232 0.4172 0.7182 -2.0985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13858 4095SOL OW13856 2.053 1.458 6.639 -0.4566 -0.1957 -0.1985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13859 4095SOL HW113857 1.992 1.389 6.676 -1.0577 0.3233 -0.1950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13860 4095SOL HW213858 2.054 1.452 6.539 -1.4432 0.5441 -0.2679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13861 4096SOL OW13859 3.313 1.366 6.973 0.2292 -0.0752 -0.4541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13862 4096SOL HW113860 3.358 1.447 7.010 -0.3165 -0.5607 1.3443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13863 4096SOL HW213861 3.236 1.341 7.031 -0.2717 -1.2607 -1.5900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13864 4097SOL OW13862 2.299 0.056 6.884 0.1535 0.1248 -0.3808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13865 4097SOL HW113863 2.346 0.139 6.915 0.6357 0.0106 -0.7843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13866 4097SOL HW213864 2.224 0.034 6.947 1.2759 -0.2759 0.8540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13867 4098SOL OW13865 3.391 0.502 6.211 0.3063 0.0704 0.0921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13868 4098SOL HW113866 3.314 0.480 6.270 0.0326 -0.7566 -0.5448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13869 4098SOL HW213867 3.408 0.600 6.213 -1.1099 0.3403 -0.1707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13870 4099SOL OW13868 2.091 1.574 6.080 0.0441 -0.5745 0.0278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13871 4099SOL HW113869 2.142 1.550 6.163 1.0086 0.7809 -0.1531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13872 4099SOL HW213870 2.154 1.587 6.004 -0.4795 1.5572 -0.1019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13873 4100SOL OW13871 1.850 1.536 5.927 -0.1792 0.0261 -0.4896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13874 4100SOL HW113872 1.924 1.562 5.989 0.6977 -0.4104 -1.3320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13875 4100SOL HW213873 1.780 1.486 5.978 -0.4067 1.3074 0.5174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13876 4101SOL OW13874 1.973 0.930 6.372 0.1676 0.3738 -0.3147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13877 4101SOL HW113875 2.013 0.846 6.411 1.0869 0.3491 -1.2795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13878 4101SOL HW213876 1.951 0.993 6.446 -2.1971 -1.3803 0.6117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13879 4102SOL OW13877 2.432 1.869 6.839 0.6639 0.4268 -0.2696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13880 4102SOL HW113878 2.399 1.931 6.910 2.1311 -1.1623 1.9126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13881 4102SOL HW213879 2.528 1.891 6.818 0.9574 -0.5815 -0.0252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13882 4103SOL OW13880 2.306 0.945 5.792 -0.0387 0.4048 -0.5211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13883 4103SOL HW113881 2.344 0.991 5.711 -1.3955 -0.6804 -1.8240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13884 4103SOL HW213882 2.381 0.908 5.847 0.9733 2.1893 -0.6063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13885 4104SOL OW13883 3.227 0.403 7.084 0.0286 -0.1317 -0.0925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13886 4104SOL HW113884 3.320 0.397 7.048 0.1694 -2.0017 0.4820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13887 4104SOL HW213885 3.223 0.471 7.156 0.9256 0.0478 -0.2028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13888 4105SOL OW13886 1.918 0.576 5.953 -0.1627 0.0102 0.0141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13889 4105SOL HW113887 1.884 0.482 5.964 0.2507 -0.2796 -1.0273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13890 4105SOL HW213888 1.907 0.625 6.039 1.3865 -1.5759 1.2101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13891 4106SOL OW13889 3.530 1.634 6.053 0.5750 -0.0961 0.1755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13892 4106SOL HW113890 3.481 1.670 6.132 1.0187 -0.8484 0.7958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13893 4106SOL HW213891 3.616 1.685 6.041 0.6775 -0.2151 0.3940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13894 4107SOL OW13892 1.704 1.651 5.724 -0.2362 0.3906 0.0495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13895 4107SOL HW113893 1.652 1.592 5.662 -0.4364 -0.3095 0.8579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13896 4107SOL HW213894 1.768 1.595 5.777 1.0483 1.1825 -0.6145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13897 4108SOL OW13895 3.483 0.776 6.269 0.1559 0.8367 -0.2330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13898 4108SOL HW113896 3.460 0.821 6.183 0.6448 1.6193 0.0401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13899 4108SOL HW213897 3.582 0.774 6.280 0.1345 -0.1072 -0.1303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13900 4109SOL OW13898 3.301 1.200 5.981 0.0834 0.1725 0.7177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13901 4109SOL HW113899 3.348 1.150 5.908 1.0303 -0.4076 1.6779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13902 4109SOL HW213900 3.352 1.283 6.003 -0.5670 0.6994 0.2739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13903 4110SOL OW13901 1.964 0.928 7.143 -0.0729 0.2586 0.1155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13904 4110SOL HW113902 1.962 1.027 7.162 -0.6178 0.0474 1.2382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13905 4110SOL HW213903 1.898 0.907 7.072 0.8541 0.8457 -0.9657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13906 4111SOL OW13904 2.192 1.272 6.225 0.0601 -0.0445 -0.2037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13907 4111SOL HW113905 2.177 1.195 6.286 3.1557 0.1949 1.0249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13908 4111SOL HW213906 2.207 1.239 6.131 2.3950 -1.1345 0.4812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13909 4112SOL OW13907 3.097 1.314 7.120 -0.1507 0.4700 0.2570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13910 4112SOL HW113908 3.014 1.263 7.101 0.6237 -0.4019 -0.9579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13911 4112SOL HW213909 3.135 1.285 7.208 -0.9907 0.7085 0.7052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13912 4113SOL OW13910 2.697 7.233 6.170 -0.5538 0.2979 -0.3122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13913 4113SOL HW113911 2.702 7.333 6.175 0.2582 0.2867 -0.7755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13914 4113SOL HW213912 2.618 7.206 6.116 -0.3537 0.7193 -0.8260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13915 4114SOL OW13913 1.982 0.937 6.772 -0.4605 0.1181 -0.2080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13916 4114SOL HW113914 2.034 0.856 6.800 0.5797 0.7549 -0.2574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13917 4114SOL HW213915 1.887 0.911 6.753 -0.3217 -0.9520 0.4912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13918 4115SOL OW13916 3.398 1.061 5.747 0.3670 -0.2911 -0.2112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13919 4115SOL HW113917 3.305 1.044 5.715 0.1942 -1.5713 0.8594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13920 4115SOL HW213918 3.464 1.016 5.686 0.3862 1.4495 -1.5410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13921 4116SOL OW13919 3.055 1.978 0.075 -0.0291 0.2435 0.1045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13922 4116SOL HW113920 3.012 1.975 -0.016 -3.2914 2.8766 1.3631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13923 4116SOL HW213921 3.116 2.057 0.079 -0.8846 0.9088 0.5041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13924 4117SOL OW13922 2.034 0.211 0.143 -0.3628 -0.1730 -0.1160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13925 4117SOL HW113923 2.014 0.211 0.241 1.5879 -0.2632 0.3363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13926 4117SOL HW213924 1.989 0.288 0.099 -1.5719 -0.3499 0.7724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13927 4118SOL OW13925 3.162 1.272 6.363 0.0039 0.5820 0.2699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13928 4118SOL HW113926 3.154 1.227 6.452 -1.7800 -0.5816 -0.4213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13929 4118SOL HW213927 3.132 1.209 6.291 0.5196 1.8171 -1.0694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13930 4119SOL OW13928 3.408 1.749 6.274 0.0818 0.3263 0.1040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13931 4119SOL HW113929 3.489 1.780 6.324 -0.5659 2.2906 0.0286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13932 4119SOL HW213930 3.353 1.689 6.333 1.4803 -0.9068 0.2009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13933 4120SOL OW13931 2.176 0.587 5.874 -0.6446 0.1540 0.1832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13934 4120SOL HW113932 2.089 0.560 5.915 -0.3525 -1.0005 0.0746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13935 4120SOL HW213933 2.239 0.616 5.947 -0.0031 -2.2328 0.6919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13936 4121SOL OW13934 3.056 0.468 6.625 -0.2083 0.8170 0.0724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13937 4121SOL HW113935 2.959 0.465 6.651 -0.4829 -0.5918 -0.9615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13938 4121SOL HW213936 3.112 0.435 6.701 -0.8117 -1.2065 -0.3033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13939 4122SOL OW13937 3.338 1.591 5.863 -0.3685 0.0045 -0.4634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13940 4122SOL HW113938 3.409 1.600 5.933 -0.7062 0.7897 -0.2038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13941 4122SOL HW213939 3.372 1.536 5.787 0.0231 -0.8387 0.2951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13942 4123SOL OW13940 2.537 0.576 6.890 0.2529 -0.4825 -0.2309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13943 4123SOL HW113941 2.564 0.544 6.981 0.4838 -0.8864 -0.4413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13944 4123SOL HW213942 2.533 0.499 6.827 0.4346 -0.1496 -0.6504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13945 4124SOL OW13943 2.866 1.155 7.145 -0.3714 0.0909 -0.0253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13946 4124SOL HW113944 2.880 1.057 7.162 2.2721 0.5042 0.5391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13947 4124SOL HW213945 2.804 1.192 7.214 -1.2701 -1.1134 -0.1400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13948 4125SOL OW13946 2.789 0.367 6.718 -0.1820 0.0379 -0.1269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13949 4125SOL HW113947 2.692 0.358 6.739 -0.4660 0.9186 -0.9959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13950 4125SOL HW213948 2.829 0.276 6.705 -1.4136 -0.3085 -2.0050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13951 4126SOL OW13949 2.874 0.554 6.090 0.1880 0.3600 0.0755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13952 4126SOL HW113950 2.879 0.619 6.165 2.3312 0.8236 -0.4243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13953 4126SOL HW213951 2.935 0.477 6.108 -0.3065 -0.2049 -0.5798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13954 4127SOL OW13952 1.930 0.710 6.185 -0.3428 0.2500 -0.2127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13955 4127SOL HW113953 1.987 0.767 6.244 -1.2687 -1.5780 2.6816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13956 4127SOL HW213954 1.839 0.749 6.179 -0.2013 0.5265 -0.6094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13957 4128SOL OW13955 1.672 1.910 7.004 -0.8123 0.1822 0.3399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13958 4128SOL HW113956 1.702 1.947 7.092 -0.9727 -0.4006 0.6439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13959 4128SOL HW213957 1.600 1.842 7.019 -1.0867 0.3317 -0.2677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13960 4129SOL OW13958 2.616 0.180 5.787 0.1511 -0.2307 0.5062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13961 4129SOL HW113959 2.671 0.097 5.788 -0.8962 -0.9564 2.0057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13962 4129SOL HW213960 2.526 0.160 5.748 0.1142 0.3717 0.2690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13963 4130SOL OW13961 3.068 1.101 6.116 -0.8493 -0.1001 0.1922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13964 4130SOL HW113962 3.151 1.139 6.074 -0.8076 -0.2530 0.1351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13965 4130SOL HW213963 2.990 1.159 6.094 -0.8615 -0.2796 -0.2551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13966 4131SOL OW13964 2.403 0.230 6.456 0.1823 -0.4913 -0.2388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13967 4131SOL HW113965 2.430 0.162 6.524 0.9305 2.3753 2.5833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13968 4131SOL HW213966 2.485 0.272 6.417 -0.2630 -1.2688 -2.1138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13969 4132SOL OW13967 2.700 1.462 6.137 -0.2380 -0.2757 0.4592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13970 4132SOL HW113968 2.679 1.503 6.048 1.0031 -0.4911 0.0520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13971 4132SOL HW213969 2.619 1.414 6.171 -0.5625 -0.6940 -0.8306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13972 4133SOL OW13970 2.203 1.778 6.447 0.0862 -0.1102 0.1365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13973 4133SOL HW113971 2.185 1.682 6.424 -0.0899 -0.0140 -0.1358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13974 4133SOL HW213972 2.234 1.826 6.365 -0.5400 0.2350 0.0924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13975 4134SOL OW13973 3.569 1.194 6.504 0.1815 -0.0931 -0.8139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13976 4134SOL HW113974 3.512 1.274 6.518 0.7016 0.2015 -0.3447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13977 4134SOL HW213975 3.526 1.114 6.545 1.4913 0.6654 2.3430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13978 4135SOL OW13976 2.977 1.547 7.137 -0.2808 -0.2245 0.7937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13979 4135SOL HW113977 3.032 1.469 7.108 1.6580 0.9100 1.1895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13980 4135SOL HW213978 2.948 1.599 7.056 1.2701 0.4352 0.6121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13981 4136SOL OW13979 2.039 0.951 5.689 0.3294 -0.2583 -0.5512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13982 4136SOL HW113980 2.126 0.968 5.737 -1.0909 -0.0602 2.1446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13983 4136SOL HW213981 2.036 0.856 5.660 0.5462 -0.9211 1.4353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13984 4137SOL OW13982 3.306 0.838 6.463 0.0585 0.6964 -0.7612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13985 4137SOL HW113983 3.260 0.769 6.519 -1.3170 1.7202 -0.5843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13986 4137SOL HW213984 3.352 0.792 6.386 -0.0613 -0.4923 -0.1516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13987 4138SOL OW13985 2.249 1.275 0.020 0.6015 -0.0032 -0.6134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13988 4138SOL HW113986 2.171 1.331 -0.009 0.0969 -0.3903 -0.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13989 4138SOL HW213987 2.239 1.182 -0.018 0.2081 -0.3625 0.3481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13990 4139SOL OW13988 2.883 1.619 5.815 -0.0300 -0.7200 -0.3002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13991 4139SOL HW113989 2.790 1.592 5.836 0.2614 -1.0376 0.6365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13992 4139SOL HW213990 2.919 1.561 5.742 0.2277 -2.2097 0.9553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13993 4140SOL OW13991 1.997 0.137 7.033 0.0448 0.3343 -0.0069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13994 4140SOL HW113992 2.001 0.233 7.005 -0.4338 0.3903 0.1125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13995 4140SOL HW213993 1.913 0.121 7.085 -1.7952 -0.9765 -3.0863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13996 4141SOL OW13994 3.441 1.357 5.630 -0.1989 -0.6239 -0.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13997 4141SOL HW113995 3.378 1.409 5.573 -0.5782 -1.4220 -0.3838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13998 4141SOL HW213996 3.408 1.263 5.639 0.4687 -0.8161 0.5286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
13999 4142SOL OW13997 2.257 1.642 5.881 -0.2226 0.1144 -0.0880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14000 4142SOL HW113998 2.304 1.724 5.915 -0.5189 -0.6868 2.5281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14001 4142SOL HW213999 2.324 1.572 5.858 0.0366 -0.4428 2.0697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14002 4143SOL OW14000 3.083 0.152 5.901 0.2289 -0.0014 0.9159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14003 4143SOL HW114001 3.123 0.094 5.830 0.1823 -0.0314 0.9140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14004 4143SOL HW214002 3.134 0.238 5.907 0.3940 -0.1070 1.0239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14005 4144SOL OW14003 1.839 1.782 6.723 -0.0533 0.5147 -0.3303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14006 4144SOL HW114004 1.779 1.711 6.687 1.2590 -0.7313 -0.1512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14007 4144SOL HW214005 1.796 1.826 6.802 -0.7850 -0.2572 -0.2910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14008 4145SOL OW14006 2.553 1.691 6.374 -0.2974 -0.2479 -0.5738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14009 4145SOL HW114007 2.652 1.676 6.366 -0.3711 -1.1563 0.0878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14010 4145SOL HW214008 2.504 1.616 6.329 -0.6862 -0.0816 -0.4282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14011 4146SOL OW14009 2.142 0.548 6.170 -0.7269 0.3128 -0.6458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14012 4146SOL HW114010 2.095 0.460 6.182 -0.3057 0.1771 0.0292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14013 4146SOL HW214011 2.074 0.621 6.164 -1.0900 -0.0688 -1.4039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14014 4147SOL OW14012 2.358 0.158 5.680 -0.0233 0.0278 0.0852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14015 4147SOL HW114013 2.388 0.064 5.696 -0.1032 0.2423 1.5908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14016 4147SOL HW214014 2.272 0.157 5.629 -1.8914 -0.8793 3.0249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14017 4148SOL OW14015 2.519 0.085 0.044 -0.1675 -0.0906 -0.0485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14018 4148SOL HW114016 2.587 0.142 -0.002 -0.7433 0.4646 -0.2225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14019 4148SOL HW214017 2.430 0.096 -0.001 -0.0789 -1.8989 -0.7170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14020 4149SOL OW14018 2.697 1.549 6.834 -0.0383 0.7572 0.0173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14021 4149SOL HW114019 2.628 1.579 6.768 0.3766 -0.7693 -1.1488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14022 4149SOL HW214020 2.700 1.450 6.838 -0.3345 0.7756 2.6955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14023 4150SOL OW14021 2.941 0.677 7.010 -0.8602 -0.1206 -0.2280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14024 4150SOL HW114022 2.940 0.619 7.091 -0.3738 1.4165 0.9120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14025 4150SOL HW214023 3.029 0.722 7.002 -0.3064 -1.4150 -2.5277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14026 4151SOL OW14024 2.398 1.271 6.528 0.4139 -0.0001 -0.2837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14027 4151SOL HW114025 2.483 1.324 6.529 1.7632 -1.9907 -0.8668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14028 4151SOL HW214026 2.322 1.328 6.558 2.0251 1.7338 0.7170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14029 4152SOL OW14027 2.763 0.532 6.494 -0.8439 -0.0930 -0.2893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14030 4152SOL HW114028 2.737 0.484 6.410 0.8004 -0.8953 -0.3929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14031 4152SOL HW214029 2.763 0.467 6.570 -0.8962 0.2951 0.0427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14032 4153SOL OW14030 2.279 0.027 6.111 -0.5826 -0.5260 -0.7278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14033 4153SOL HW114031 2.247 0.016 6.206 0.7513 1.6134 0.0549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14034 4153SOL HW214032 2.268 0.123 6.084 0.7675 -0.7202 -2.0733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14035 4154SOL OW14033 3.162 1.220 5.463 -0.1140 0.1259 -0.0367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14036 4154SOL HW114034 3.188 1.312 5.495 3.1925 -0.4511 -0.7075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14037 4154SOL HW214035 3.125 1.168 5.540 -0.5845 1.4941 0.7176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14038 4155SOL OW14036 1.996 7.014 5.995 -0.6948 -0.6761 0.2030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14039 4155SOL HW114037 1.957 7.101 5.962 -0.4584 -0.6901 -0.1193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14040 4155SOL HW214038 2.001 7.016 6.095 1.9055 0.8489 0.1395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14041 4156SOL OW14039 2.692 0.254 6.116 -0.1551 -0.4783 -0.0444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14042 4156SOL HW114040 2.641 0.307 6.048 -2.3912 -2.6085 -0.1831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14043 4156SOL HW214041 2.782 0.294 6.129 -1.4080 2.8271 -0.6700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14044 4157SOL OW14042 2.838 0.856 7.235 -0.2397 0.2010 0.4867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14045 4157SOL HW114043 2.782 0.866 7.318 -0.2756 0.6366 0.4062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14046 4157SOL HW214044 2.786 0.805 7.166 -0.8655 1.2834 0.1341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14047 4158SOL OW14045 2.827 1.601 6.327 0.0519 -0.0962 0.0128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14048 4158SOL HW114046 2.898 1.669 6.313 2.1781 -2.1468 0.2006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14049 4158SOL HW214047 2.806 1.555 6.241 1.3243 -1.6643 0.5043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14050 4159SOL OW14048 2.193 0.965 6.229 0.2988 0.2045 -0.6793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14051 4159SOL HW114049 2.113 0.946 6.286 0.3855 0.5873 -0.4224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14052 4159SOL HW214050 2.163 0.999 6.140 0.1634 1.5087 -0.1747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14053 4160SOL OW14051 3.015 1.795 6.259 0.3102 -0.0201 -0.0534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14054 4160SOL HW114052 3.069 1.835 6.185 1.4510 1.6305 1.5807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14055 4160SOL HW214053 2.933 1.849 6.274 -0.7881 -1.3153 -1.1515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14056 4161SOL OW14054 2.783 0.326 5.647 -0.3630 -0.2381 0.3105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14057 4161SOL HW114055 2.716 0.274 5.699 -0.4488 -0.5580 -0.1113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14058 4161SOL HW214056 2.855 0.360 5.708 0.4688 -2.0484 0.4094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14059 4162SOL OW14057 1.988 0.406 6.964 -0.1708 -0.3505 -0.6138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14060 4162SOL HW114058 2.065 0.416 6.901 2.0195 0.2904 1.9636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14061 4162SOL HW214059 1.980 0.489 7.019 -3.2317 -0.1236 -1.2219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14062 4163SOL OW14060 2.463 0.070 6.664 0.0509 0.2674 0.5405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14063 4163SOL HW114061 2.544 0.014 6.678 -0.5562 -1.1616 -1.3122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14064 4163SOL HW214062 2.386 0.032 6.716 -0.6624 -1.4044 -1.6422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14065 4164SOL OW14063 2.600 0.374 6.342 -0.1754 0.1029 0.4013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14066 4164SOL HW114064 2.542 0.450 6.315 -0.1751 -0.2551 -0.6229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14067 4164SOL HW214065 2.626 0.320 6.262 0.6465 -0.4002 0.9837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14068 4165SOL OW14066 3.025 0.255 6.394 -0.0973 0.6317 -0.5738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14069 4165SOL HW114067 3.032 0.325 6.465 -1.0007 0.9820 -0.8218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14070 4165SOL HW214068 3.006 0.166 6.436 0.3989 0.6478 -0.3082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14071 4166SOL OW14069 3.113 1.166 6.632 -0.1687 0.2962 -0.2781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14072 4166SOL HW114070 3.048 1.238 6.654 1.0809 0.8395 1.9112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14073 4166SOL HW214071 3.072 1.077 6.653 -0.5672 0.5662 0.0990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14074 4167SOL OW14072 3.195 0.708 6.657 -0.4516 -0.1852 0.3159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14075 4167SOL HW114073 3.131 0.632 6.653 -0.5203 -0.1985 1.3656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14076 4167SOL HW214074 3.242 0.707 6.745 -0.5159 1.0343 0.3830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14077 4168SOL OW14075 3.581 0.678 5.686 0.1338 -0.3923 -0.1613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14078 4168SOL HW114076 3.597 0.649 5.781 -1.2894 -0.1664 0.1794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14079 4168SOL HW214077 3.653 0.640 5.627 -0.0716 -2.2690 0.6935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14080 4169SOL OW14078 2.221 1.328 5.716 -0.0289 -0.2104 0.2853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14081 4169SOL HW114079 2.139 1.298 5.766 -0.9593 -0.0385 -1.0677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14082 4169SOL HW214080 2.207 1.313 5.618 2.1594 -1.5519 0.1065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14083 4170SOL OW14081 3.501 1.379 6.022 0.3660 -0.0937 -0.2008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14084 4170SOL HW114082 3.565 1.318 6.068 -0.2220 -0.2347 0.4459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14085 4170SOL HW214083 3.509 1.471 6.061 -0.6670 -0.3844 0.7284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14086 4171SOL OW14084 3.038 0.641 5.642 0.0070 -0.4335 -0.4248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14087 4171SOL HW114085 2.985 0.592 5.710 -1.9541 0.9386 -0.8854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14088 4171SOL HW214086 3.131 0.654 5.676 -0.6690 -0.5263 1.6012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14089 4172SOL OW14087 2.058 0.010 5.907 -0.2251 0.1870 0.2960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14090 4172SOL HW114088 2.086 -0.017 5.814 0.7056 -1.2415 0.9554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14091 4172SOL HW214089 2.139 0.023 5.963 -0.7946 0.3258 1.0991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14092 4173SOL OW14090 3.784 1.119 7.154 0.2499 0.3486 -0.1065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14093 4173SOL HW114091 3.793 1.213 7.120 -1.4836 0.7382 0.4246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14094 4173SOL HW214092 3.772 1.120 7.253 -0.0834 -0.4079 -0.1329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14095 4174SOL OW14093 2.817 1.285 6.914 -0.4269 -0.3216 -0.0738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14096 4174SOL HW114094 2.723 1.259 6.894 -0.5579 0.1898 -0.1505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14097 4174SOL HW214095 2.850 1.236 6.994 -1.3861 0.8328 1.0640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14098 4175SOL OW14096 2.960 1.383 6.708 0.5075 -0.6110 -0.4531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14099 4175SOL HW114097 2.907 1.352 6.787 0.3515 1.3332 0.2613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14100 4175SOL HW214098 2.897 1.409 6.634 0.5635 -0.4766 -0.4534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14101 4176SOL OW14099 3.438 0.988 6.653 -0.6394 0.3894 -0.2125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14102 4176SOL HW114100 3.374 1.029 6.718 -0.8082 -1.1614 0.6434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14103 4176SOL HW214101 3.388 0.927 6.592 -0.3039 0.9539 -1.0721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14104 4177SOL OW14102 2.642 0.083 6.924 0.3036 0.0981 0.9859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14105 4177SOL HW114103 2.726 0.103 6.974 -0.1141 0.4090 1.5690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14106 4177SOL HW214104 2.665 0.032 6.840 1.1616 1.0447 0.6226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14107 4178SOL OW14105 2.487 0.850 5.976 -0.3782 -0.5663 0.4172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14108 4178SOL HW114106 2.483 0.868 6.075 -0.5570 -0.5008 0.3980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14109 4178SOL HW214107 2.537 0.765 5.960 0.9532 0.1793 0.4738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14110 4179SOL OW14108 2.112 0.716 6.852 -0.7179 0.0209 -0.0352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14111 4179SOL HW114109 2.193 0.725 6.911 -0.4547 -0.9610 -0.2392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14112 4179SOL HW214110 2.109 0.625 6.813 -2.7451 -0.4770 1.1303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14113 4180SOL OW14111 2.913 0.386 7.020 0.0336 0.2599 -0.0472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14114 4180SOL HW114112 2.939 0.394 7.116 -1.7340 1.1622 0.3871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14115 4180SOL HW214113 2.891 0.476 6.984 -1.9926 -0.3725 -0.4972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14116 4181SOL OW14114 1.531 1.532 7.051 0.6736 -0.1175 0.1810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14117 4181SOL HW114115 1.502 1.626 7.067 -2.5215 -1.1418 1.2102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14118 4181SOL HW214116 1.631 1.527 7.048 1.0416 2.8871 2.8043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14119 4182SOL OW14117 2.163 1.106 5.984 -0.5117 0.0208 -0.3783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14120 4182SOL HW114118 2.101 1.171 5.939 0.1717 1.8218 1.1551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14121 4182SOL HW214119 2.223 1.065 5.916 0.2927 2.4286 -1.2154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14122 4183SOL OW14120 2.290 0.299 6.054 0.0230 0.6043 -0.7706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14123 4183SOL HW114121 2.363 0.331 5.995 0.1836 2.5731 0.4132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14124 4183SOL HW214122 2.246 0.377 6.099 -1.5635 -0.6620 -0.0019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14125 4184SOL OW14123 2.891 1.299 6.041 -0.0509 -0.1340 -0.2029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14126 4184SOL HW114124 2.962 1.368 6.029 2.5466 -1.7573 3.8089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14127 4184SOL HW214125 2.805 1.343 6.065 -0.6976 1.8844 -4.9817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14128 4185SOL OW14126 3.199 1.497 6.763 -0.2502 0.1938 -0.1455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14129 4185SOL HW114127 3.242 1.458 6.844 -1.2284 1.5961 1.1093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14130 4185SOL HW214128 3.118 1.444 6.739 0.2183 -0.4107 -0.4134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14131 4186SOL OW14129 3.258 0.658 5.801 0.1921 0.6909 -0.2139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14132 4186SOL HW114130 3.244 0.722 5.877 0.8394 1.6888 -0.9222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14133 4186SOL HW214131 3.354 0.659 5.773 0.1254 -0.2792 -0.5266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14134 4187SOL OW14132 2.207 1.665 6.845 0.5433 -0.5617 -0.0143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14135 4187SOL HW114133 2.140 1.665 6.771 -0.4730 0.9530 0.8387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14136 4187SOL HW214134 2.284 1.723 6.821 -0.9414 2.0226 0.9781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14137 4188SOL OW14135 2.232 1.024 7.174 -0.1480 -0.4950 0.3525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14138 4188SOL HW114136 2.150 0.967 7.166 0.3265 -1.2381 0.6448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14139 4188SOL HW214137 2.289 0.990 7.249 0.7509 -0.4180 -0.2691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14140 4189SOL OW14138 3.427 0.795 7.173 -0.1118 0.4478 -0.1831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14141 4189SOL HW114139 3.404 0.874 7.230 -0.3777 0.7282 -0.6781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14142 4189SOL HW214140 3.525 0.795 7.153 -0.0589 0.4810 0.0698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14143 4190SOL OW14141 2.297 0.769 6.631 0.1376 0.3568 -0.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14144 4190SOL HW114142 2.328 0.862 6.610 0.0994 -0.2104 -2.9121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14145 4190SOL HW214143 2.240 0.771 6.714 -2.1461 3.3948 -1.4708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14146 4191SOL OW14144 3.003 0.923 6.667 0.0081 0.0663 0.0513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14147 4191SOL HW114145 2.925 0.913 6.605 -0.3319 -0.0876 0.4944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14148 4191SOL HW214146 3.074 0.859 6.640 -0.8164 -1.2325 0.8208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14149 4192SOL OW14147 2.948 0.464 5.832 0.1136 0.5140 0.0931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14150 4192SOL HW114148 3.046 0.446 5.833 -0.0381 -0.4058 -0.2758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14151 4192SOL HW214149 2.911 0.457 5.924 0.2465 -0.0544 0.1070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14152 4193SOL OW14150 1.871 7.252 6.828 0.0164 -0.8191 -0.2675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14153 4193SOL HW114151 1.905 7.291 6.913 -1.8147 -3.1330 1.6571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14154 4193SOL HW214152 1.932 7.178 6.798 -0.0851 -0.9334 -0.1761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14155 4194SOL OW14153 1.847 1.285 6.784 -0.3150 0.4239 -0.2099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14156 4194SOL HW114154 1.911 1.245 6.849 -0.3294 0.2650 -0.2930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14157 4194SOL HW214155 1.768 1.322 6.832 0.1919 1.3037 -0.0308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14158 4195SOL OW14156 2.416 0.524 6.557 -0.2377 0.7607 -0.1311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14159 4195SOL HW114157 2.434 0.534 6.459 1.4740 0.4100 0.1283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14160 4195SOL HW214158 2.383 0.612 6.593 2.3885 1.9506 -0.3847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14161 4196SOL OW14159 2.188 0.020 6.384 0.1606 0.1068 -0.1719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14162 4196SOL HW114160 2.102 0.013 6.434 1.9856 -1.9134 3.0209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14163 4196SOL HW214161 2.238 0.101 6.413 1.0228 -0.8302 1.0499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14164 4197SOL OW14162 3.209 0.386 5.851 -0.3720 -0.0357 -0.3531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14165 4197SOL HW114163 3.258 0.347 5.774 -0.9517 -1.3288 -0.0963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14166 4197SOL HW214164 3.235 0.482 5.863 0.8650 -0.2503 -1.1943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14167 4198SOL OW14165 2.730 0.795 6.580 -0.1515 -0.2274 -0.0506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14168 4198SOL HW114166 2.719 0.814 6.677 0.1527 1.8935 -0.4014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14169 4198SOL HW214167 2.710 0.698 6.563 -1.4102 -0.3593 1.9091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14170 4199SOL OW14168 3.444 1.587 7.103 0.3200 0.0980 0.2475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14171 4199SOL HW114169 3.367 1.647 7.125 -0.5953 -0.8841 -0.1563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14172 4199SOL HW214170 3.519 1.641 7.066 0.5607 1.3271 2.3765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14173 4200SOL OW14171 3.223 0.188 5.590 -0.1360 -0.1765 0.2392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14174 4200SOL HW114172 3.195 0.165 5.496 0.0732 -1.6621 0.5067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14175 4200SOL HW214173 3.206 0.109 5.649 2.3539 -0.3198 0.8696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14176 4201SOL OW14174 3.175 0.980 5.647 0.7434 0.0455 -0.5419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14177 4201SOL HW114175 3.106 0.939 5.707 0.1720 0.2463 -1.0463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14178 4201SOL HW214176 3.145 0.972 5.552 2.9344 -2.8551 -1.1165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14179 4202SOL OW14177 2.759 1.415 6.486 -0.4431 0.4501 -0.8156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14180 4202SOL HW114178 2.766 1.325 6.443 1.1733 -0.1172 0.5156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14181 4202SOL HW214179 2.804 1.484 6.429 1.1898 -0.1915 -0.3417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14182 4203SOL OW14180 2.080 0.731 6.488 -0.1189 0.3544 -0.2569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14183 4203SOL HW114181 2.163 0.743 6.543 -1.1656 0.4850 1.3555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14184 4203SOL HW214182 2.069 0.634 6.465 -1.3486 -0.3094 2.6518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14185 4204SOL OW14183 2.144 0.324 6.519 -0.2180 -0.3773 -0.0357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14186 4204SOL HW114184 2.120 0.240 6.566 0.4083 -1.0026 -0.7894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14187 4204SOL HW214185 2.239 0.318 6.487 -0.0639 0.7376 0.1529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14188 4205SOL OW14186 2.878 0.121 7.055 -0.0462 0.2611 0.1136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14189 4205SOL HW114187 2.957 0.059 7.051 0.4686 0.8709 0.6566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14190 4205SOL HW214188 2.903 0.209 7.015 -0.0573 0.8591 1.3566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14191 4206SOL OW14189 1.691 1.305 5.529 0.1640 -0.0351 0.3613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14192 4206SOL HW114190 1.664 1.391 5.485 0.0039 -0.1161 0.2990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14193 4206SOL HW214191 1.609 1.256 5.557 0.2408 -0.3602 0.0231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14194 4207SOL OW14192 1.923 1.835 6.462 -0.1325 -0.1161 -0.3481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14195 4207SOL HW114193 1.911 1.807 6.557 2.8334 -2.1643 -0.4222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14196 4207SOL HW214194 2.021 1.836 6.440 -0.6215 1.8707 -2.9726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14197 4208SOL OW14195 2.132 1.496 6.362 0.2356 -0.0248 -0.0941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14198 4208SOL HW114196 2.134 1.411 6.309 -2.1004 -0.1628 -0.0790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14199 4208SOL HW214197 2.039 1.533 6.362 1.0232 2.1025 0.6195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14200 4209SOL OW14198 2.691 0.804 6.864 0.0986 0.3700 0.1102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14201 4209SOL HW114199 2.777 0.776 6.905 -0.6078 1.9526 2.8906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14202 4209SOL HW214200 2.631 0.725 6.855 0.7921 -0.2588 0.8761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14203 4210SOL OW14201 1.924 0.458 6.408 0.0701 0.3299 -0.2127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14204 4210SOL HW114202 2.004 0.418 6.454 -0.2076 1.0709 0.9660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14205 4210SOL HW214203 1.930 0.441 6.310 1.7915 0.5345 -0.1855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14206 4211SOL OW14204 2.499 0.390 5.906 0.0114 0.0221 -0.0525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14207 4211SOL HW114205 2.536 0.317 5.850 1.1057 0.7251 -0.2836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14208 4211SOL HW214206 2.552 0.474 5.891 -0.0568 0.3916 1.5622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14209 4212SOL OW14207 3.249 0.743 6.930 0.3099 -0.2888 0.0885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14210 4212SOL HW114208 3.268 0.841 6.932 -1.8822 0.2351 -1.6085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14211 4212SOL HW214209 3.328 0.693 6.966 1.3930 2.0742 1.1823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14212 4213SOL OW14210 1.992 1.431 7.241 -0.4647 0.2626 -0.5184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14213 4213SOL HW114211 1.908 1.442 7.293 -1.0803 -0.5425 -1.3164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14214 4213SOL HW214212 2.044 1.517 7.242 -0.3342 0.2204 1.5998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14215 4214SOL OW14213 2.521 0.364 6.740 -0.2633 -0.6124 0.3976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14216 4214SOL HW114214 2.500 0.267 6.727 -2.2004 -0.3848 1.5336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14217 4214SOL HW214215 2.486 0.416 6.662 0.5368 -0.7810 -0.0828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14218 4215SOL OW14216 2.911 1.702 6.896 0.4437 -0.3454 0.0302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14219 4215SOL HW114217 2.827 1.667 6.854 -1.2686 2.6996 0.5811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14220 4215SOL HW214218 2.979 1.721 6.826 0.0923 -1.3475 -0.6042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14221 4216SOL OW14219 2.380 0.547 5.704 -0.1542 -0.7860 0.1688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14222 4216SOL HW114220 2.291 0.571 5.743 -1.5457 -1.9989 -2.0585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14223 4216SOL HW214221 2.412 0.462 5.744 -0.1653 -0.5465 0.6998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14224 4217SOL OW14222 2.134 1.148 6.943 -0.1355 0.3157 0.7703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14225 4217SOL HW114223 2.196 1.106 7.009 0.2562 0.7310 0.6740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14226 4217SOL HW214224 2.118 1.086 6.867 -0.1975 0.0316 1.0128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14227 4218SOL OW14225 2.995 1.020 6.932 -0.7976 0.1357 0.5607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14228 4218SOL HW114226 2.980 0.959 6.854 -0.8838 -0.0514 0.7234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14229 4218SOL HW214227 2.910 1.068 6.954 -1.5976 -1.9707 2.3780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14230 4219SOL OW14228 3.195 0.838 5.998 -0.1666 0.0785 0.3999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14231 4219SOL HW114229 3.272 0.897 6.020 -0.4222 0.5265 0.1354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14232 4219SOL HW214230 3.111 0.877 6.037 0.0049 -1.4997 2.5147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14233 4220SOL OW14231 3.527 1.509 6.786 -0.1776 -0.2382 0.0582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14234 4220SOL HW114232 3.514 1.592 6.841 -0.2452 -0.6094 0.6099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14235 4220SOL HW214233 3.487 1.522 6.696 0.7731 0.7340 -0.2461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14236 4221SOL OW14234 3.110 1.759 6.718 -0.3816 0.7580 -0.3553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14237 4221SOL HW114235 3.168 1.805 6.786 -0.6833 1.8695 -0.8370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14238 4221SOL HW214236 3.132 1.662 6.717 -0.7065 0.6150 1.6813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14239 4222SOL OW14237 1.890 1.099 6.556 -0.0274 0.1581 0.0641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14240 4222SOL HW114238 1.843 1.171 6.606 0.0475 0.3439 -0.1331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14241 4222SOL HW214239 1.932 1.035 6.621 1.4141 1.2516 0.2522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14242 4223SOL OW14240 3.437 0.101 5.978 -0.1236 0.0598 0.1084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14243 4223SOL HW114241 3.414 0.155 5.898 2.3657 -1.0884 -1.5134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14244 4223SOL HW214242 3.515 0.041 5.957 -0.1233 -1.1535 3.0395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14245 4224SOL OW14243 3.114 1.450 5.990 -0.1005 -0.7973 -0.4527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14246 4224SOL HW114244 3.139 1.354 6.004 -0.9503 -0.9813 -0.1450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14247 4224SOL HW214245 3.197 1.503 5.971 0.6753 -1.2004 1.4998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14248 4225SOL OW14246 3.065 0.942 6.326 0.7962 -0.0657 0.4481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14249 4225SOL HW114247 3.153 0.923 6.370 1.3484 -1.2220 -1.0873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14250 4225SOL HW214248 3.079 1.002 6.247 0.2739 -0.5676 -0.0338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14251 4226SOL OW14249 2.551 1.251 6.902 0.1443 -0.9435 -0.2576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14252 4226SOL HW114250 2.550 1.328 6.966 1.3827 -1.2442 0.1438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14253 4226SOL HW214251 2.467 1.252 6.848 -1.1739 -0.9508 1.6980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14254 4227SOL OW14252 2.427 1.511 5.688 -0.7547 -0.0288 0.3431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14255 4227SOL HW114253 2.432 1.562 5.602 0.3978 -0.9063 -0.1329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14256 4227SOL HW214254 2.373 1.428 5.674 -0.7999 -0.0350 0.5481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14257 4228SOL OW14255 3.290 1.846 7.183 -0.0274 0.1190 0.0170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14258 4228SOL HW114256 3.203 1.830 7.137 -0.2755 0.7425 0.2644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14259 4228SOL HW214257 3.296 1.941 7.213 0.8587 0.1624 -0.2468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14260 4229SOL OW14258 3.472 0.147 6.453 -0.3311 0.4973 -0.1743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14261 4229SOL HW114259 3.531 0.067 6.436 -2.2168 -1.1544 0.6404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14262 4229SOL HW214260 3.421 0.169 6.370 -1.1653 -0.3520 0.0960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14263 4230SOL OW14261 1.782 0.335 5.993 -0.5781 0.3787 -0.6733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14264 4230SOL HW114262 1.689 0.368 6.013 -1.2532 0.7647 -3.9128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14265 4230SOL HW214263 1.781 0.282 5.909 2.4934 2.4827 -2.2222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14266 4231SOL OW14264 3.010 1.479 5.612 0.7000 0.6609 -0.2130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14267 4231SOL HW114265 3.010 1.396 5.669 2.9641 0.6433 -0.1438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14268 4231SOL HW214266 2.944 1.469 5.538 1.5102 -1.5894 -0.7045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14269 4232SOL OW14267 2.479 0.964 6.852 0.6172 -0.4362 -0.2473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14270 4232SOL HW114268 2.554 0.899 6.848 0.3292 -0.8747 0.9784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14271 4232SOL HW214269 2.515 1.056 6.868 1.0749 -0.1245 -2.6535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14272 4233SOL OW14270 2.657 0.630 5.922 0.2860 0.1709 -0.1088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14273 4233SOL HW114271 2.685 0.666 5.833 1.1333 2.6709 1.0851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14274 4233SOL HW214272 2.737 0.606 5.976 -0.2101 -1.0787 0.0975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14275 4234SOL OW14273 3.242 1.479 5.493 -0.3676 -0.3598 0.4121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14276 4234SOL HW114274 3.151 1.489 5.534 -0.3133 -1.5384 0.8647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14277 4234SOL HW214275 3.253 1.546 5.419 -1.2801 0.3554 0.9040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14278 4235SOL OW14276 1.782 1.452 7.011 0.1180 -0.0239 0.2256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14279 4235SOL HW114277 1.838 1.406 7.080 0.2805 -0.3065 -0.0961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14280 4235SOL HW214278 1.838 1.520 6.963 -0.2652 0.9394 1.0945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14281 4236SOL OW14279 3.491 1.186 7.051 -0.4734 0.7308 -0.3302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14282 4236SOL HW114280 3.505 1.212 7.147 -1.0160 -3.7425 1.2132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14283 4236SOL HW214281 3.436 1.255 7.005 -0.8216 2.7107 2.7717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14284 4237SOL OW14282 2.817 1.175 6.370 0.0013 0.0023 0.0247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14285 4237SOL HW114283 2.727 1.130 6.369 -0.1188 0.0797 2.1443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14286 4237SOL HW214284 2.887 1.110 6.342 -0.6870 -0.0542 -1.6840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14287 4238SOL OW14285 2.703 7.206 6.663 0.3847 0.0951 0.5513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14288 4238SOL HW114286 2.704 7.115 6.623 -0.0855 1.0833 -1.8790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14289 4238SOL HW214287 2.794 7.247 6.655 0.3986 0.1241 0.9008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14290 4239SOL OW14288 2.367 1.370 5.969 0.4271 -0.9004 -0.0436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14291 4239SOL HW114289 2.419 1.290 5.942 1.5034 0.0309 -0.8007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14292 4239SOL HW214290 2.291 1.384 5.906 0.1316 -1.4153 0.1941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14293 4240SOL OW14291 3.485 0.402 6.981 -0.1425 0.3033 0.2726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14294 4240SOL HW114292 3.571 0.453 6.991 0.1166 0.0143 -0.3855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14295 4240SOL HW214293 3.473 0.377 6.885 -0.8534 0.1426 0.4001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14296 4241SOL OW14294 1.996 1.292 5.860 -0.4997 0.0006 0.1992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14297 4241SOL HW114295 1.928 1.221 5.840 0.4624 -1.3047 1.2847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14298 4241SOL HW214296 1.951 1.381 5.869 -1.8094 -0.5420 -0.7503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14299 4242SOL OW14297 1.937 1.180 7.223 -0.2951 0.4797 -0.2307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14300 4242SOL HW114298 1.971 1.274 7.224 -3.0859 1.6062 -1.2855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14301 4242SOL HW214299 1.952 1.138 7.313 1.9098 1.5043 -0.0515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14302 4243SOL OW14300 2.440 0.255 7.009 0.4353 -0.5482 0.2508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14303 4243SOL HW114301 2.511 0.201 6.963 -1.2236 -0.8833 -2.0901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14304 4243SOL HW214302 2.482 0.335 7.051 2.4209 -1.6360 0.4703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14305 4244SOL OW14303 1.994 0.279 5.169 -0.2310 0.1745 -0.6883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14306 4244SOL HW114304 1.987 0.203 5.105 -1.2593 -0.0591 -0.3225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14307 4244SOL HW214305 1.914 0.280 5.229 -0.4253 1.7884 -0.9344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14308 4245SOL OW14306 3.314 1.017 6.935 -0.7260 0.1142 -0.0172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14309 4245SOL HW114307 3.250 1.091 6.917 1.3668 2.3203 0.9918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14310 4245SOL HW214308 3.391 1.052 6.988 1.3709 -2.3401 -1.2080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14311 4246SOL OW14309 1.825 0.165 5.758 -0.1650 0.6946 -0.0385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14312 4246SOL HW114310 1.896 0.228 5.726 -0.1072 0.1278 -1.0344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14313 4246SOL HW214311 1.867 0.083 5.796 -0.2816 0.3331 -0.6810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14314 4247SOL OW14312 2.994 1.251 5.751 0.3991 0.0010 0.0069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14315 4247SOL HW114313 2.933 1.189 5.701 0.2627 0.2026 -0.0773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14316 4247SOL HW214314 2.976 1.243 5.849 -1.6822 2.0104 -0.1206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14317 4248SOL OW14315 2.354 0.749 6.997 0.0940 -0.5102 -0.1988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14318 4248SOL HW114316 2.387 0.843 7.007 0.8078 -0.8336 0.6156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14319 4248SOL HW214317 2.427 0.691 6.962 0.3815 -1.1944 1.4135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14320 4249SOL OW14318 3.229 1.882 6.907 0.3055 0.3808 -0.2940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14321 4249SOL HW114319 3.326 1.908 6.913 0.2913 0.2886 0.4161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14322 4249SOL HW214320 3.177 1.929 6.979 0.0845 -0.6925 0.2800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14323 4250SOL OW14321 2.593 0.491 7.148 -0.6135 0.1949 -0.2824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14324 4250SOL HW114322 2.638 0.402 7.160 -0.8525 0.1222 0.1138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14325 4250SOL HW214323 2.593 0.540 7.235 0.1279 0.8781 -0.6588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14326 4251SOL OW14324 1.953 1.653 6.943 0.3381 -0.6239 -0.0565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14327 4251SOL HW114325 1.907 1.711 6.875 0.4358 -0.1548 0.2705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14328 4251SOL HW214326 2.049 1.643 6.917 0.1745 -1.1820 -0.4629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14329 4252SOL OW14327 3.651 0.853 6.759 0.2181 -0.6973 0.0954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14330 4252SOL HW114328 3.630 0.758 6.734 -0.6655 -0.5242 0.1787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14331 4252SOL HW214329 3.568 0.907 6.758 0.1437 -0.5935 3.0558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14332 4253SOL OW14330 2.995 0.316 6.114 0.8635 0.2967 -0.0058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14333 4253SOL HW114331 3.017 0.238 6.056 -0.1380 0.3432 -0.4693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14334 4253SOL HW214332 3.017 0.294 6.209 -0.8821 -1.1928 0.1115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14335 4254SOL OW14333 2.444 0.588 6.265 0.4357 -0.9148 -0.1139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14336 4254SOL HW114334 2.436 0.687 6.259 3.1591 -0.7322 -2.7528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14337 4254SOL HW214335 2.381 0.545 6.200 -1.7736 -1.0998 2.0069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14338 4255SOL OW14336 3.692 0.870 7.064 -0.7400 0.2445 0.0282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14339 4255SOL HW114337 3.705 0.964 7.094 -1.5016 0.8752 -1.4878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14340 4255SOL HW214338 3.682 0.868 6.964 2.2293 -1.7686 -0.3577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14341 4256SOL OW14339 2.585 1.258 5.653 -0.1716 -0.0838 -0.1197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14342 4256SOL HW114340 2.583 1.261 5.753 -0.7435 0.2089 -0.1381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14343 4256SOL HW214341 2.664 1.203 5.623 -0.3918 -0.7547 0.4990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14344 4257SOL OW14342 2.518 1.521 6.599 -0.2536 -0.3489 -0.2835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14345 4257SOL HW114343 2.501 1.594 6.533 -1.0410 -0.6002 -0.3710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14346 4257SOL HW214344 2.610 1.484 6.585 -0.6614 -0.9079 -1.7663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14347 4258SOL OW14345 2.623 0.998 6.423 0.4371 0.0877 0.4488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14348 4258SOL HW114346 2.680 0.930 6.470 1.6895 1.5423 1.1055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14349 4258SOL HW214347 2.540 1.013 6.477 0.6576 -0.1280 0.8587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14350 4259SOL OW14348 2.837 1.109 5.579 -1.0803 -0.3459 0.2518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14351 4259SOL HW114349 2.836 1.148 5.487 1.7303 -1.4809 -0.3659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14352 4259SOL HW214350 2.809 1.013 5.574 -3.2196 0.1840 1.0165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14353 4260SOL OW14351 3.646 1.537 6.516 -0.4385 0.4157 0.4624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14354 4260SOL HW114352 3.556 1.494 6.519 0.1428 -0.7982 2.4828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14355 4260SOL HW214353 3.715 1.468 6.495 0.2433 0.8927 1.0795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14356 4261SOL OW14354 1.840 1.187 6.287 0.1573 0.0093 0.0051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14357 4261SOL HW114355 1.876 1.148 6.372 0.4003 1.6485 0.6826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14358 4261SOL HW214356 1.859 1.124 6.212 2.1355 -0.3768 0.7605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14359 4262SOL OW14357 2.520 1.376 7.190 -0.1176 -0.0711 0.2253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14360 4262SOL HW114358 2.428 1.357 7.223 -0.0290 1.7741 1.6896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14361 4262SOL HW214359 2.522 1.464 7.144 1.0913 0.3807 1.0853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14362 4263SOL OW14360 3.400 0.310 6.731 0.2577 0.0003 0.8515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14363 4263SOL HW114361 3.431 0.227 6.778 -1.1946 -0.4001 1.1600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14364 4263SOL HW214362 3.350 0.285 6.649 0.7165 0.6249 0.3742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14365 4264SOL OW14363 1.977 0.317 6.180 -0.2596 -0.1483 0.2582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14366 4264SOL HW114364 1.977 0.228 6.227 -0.7019 -0.5198 -0.4355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14367 4264SOL HW214365 1.913 0.314 6.103 -1.7169 1.3493 1.3346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14368 4265SOL OW14366 3.393 1.446 6.510 0.2569 0.5420 -0.1449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14369 4265SOL HW114367 3.340 1.464 6.427 0.1790 -0.5033 -0.3374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14370 4265SOL HW214368 3.330 1.421 6.584 0.3850 0.7040 0.0189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14371 4266SOL OW14369 2.173 0.467 6.775 -0.2191 -0.3381 0.1986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14372 4266SOL HW114370 2.273 0.466 6.781 -0.2685 -2.4565 1.3484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14373 4266SOL HW214371 2.144 0.416 6.694 -0.3975 -1.6753 1.0828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14374 4267SOL OW14372 2.438 1.487 6.227 -0.6950 -0.4928 -0.3738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14375 4267SOL HW114373 2.410 1.458 6.135 -0.8968 -1.4158 -0.0391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14376 4267SOL HW214374 2.358 1.483 6.288 -0.6985 0.7111 -0.2930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14377 4268SOL OW14375 3.150 0.322 6.822 0.2668 -0.3644 0.7631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14378 4268SOL HW114376 3.247 0.314 6.801 -0.2859 -1.1641 -1.7923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14379 4268SOL HW214377 3.139 0.366 6.911 2.9402 0.9257 0.5522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14380 4269SOL OW14378 2.966 0.153 6.697 -0.2375 -0.5612 0.8625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14381 4269SOL HW114379 3.000 0.059 6.706 2.8329 0.2251 -0.9271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14382 4269SOL HW214380 3.028 0.215 6.744 0.2170 0.8739 -1.4437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14383 4270SOL OW14381 2.586 1.134 5.894 -0.2351 -0.7143 0.0082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14384 4270SOL HW114382 2.560 1.039 5.911 -2.4603 0.1986 2.4773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14385 4270SOL HW214383 2.657 1.161 5.959 -0.5632 -0.3382 0.2136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14386 4271SOL OW14384 2.448 1.586 7.026 0.1898 -0.6865 0.2884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14387 4271SOL HW114385 2.359 1.568 6.983 -0.3956 0.7220 0.8502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14388 4271SOL HW214386 2.506 1.635 6.962 0.3931 -1.1756 0.0929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14389 4272SOL OW14387 3.163 7.222 5.712 -0.2861 0.2156 0.1053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14390 4272SOL HW114388 3.256 7.197 5.687 -0.3852 0.3706 -0.4262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14391 4272SOL HW214389 3.099 7.158 5.670 -0.3727 -0.4506 1.2262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14392 4273SOL OW14390 3.163 0.535 6.383 0.0711 0.3361 -0.2564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14393 4273SOL HW114391 3.104 0.596 6.330 -0.3438 -0.5428 -0.8257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14394 4273SOL HW214392 3.125 0.522 6.474 -0.8884 -0.5961 -0.7716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14395 4274SOL OW14393 3.292 0.263 6.286 0.1268 0.1656 -0.1979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14396 4274SOL HW114394 3.203 0.296 6.318 0.2364 0.4017 -0.1316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14397 4274SOL HW214395 3.330 0.328 6.221 0.0914 -0.1127 -0.4956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14398 4275SOL OW14396 1.806 1.081 5.799 -0.0381 -0.4042 -0.4096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14399 4275SOL HW114397 1.875 1.015 5.768 -0.3315 -0.6784 -0.4803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14400 4275SOL HW214398 1.741 1.098 5.725 -0.3139 -0.4967 -0.1889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14401 4276SOL OW14399 2.623 1.549 5.882 -0.0146 -0.2727 -0.4964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14402 4276SOL HW114400 2.559 1.520 5.811 -0.5435 -1.7070 0.5172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14403 4276SOL HW214401 2.605 1.645 5.906 -0.0756 0.1188 -1.9893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14404 4277SOL OW14402 1.906 2.699 0.045 0.3800 0.0847 0.4421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14405 4277SOL HW114403 1.867 2.606 0.045 -0.8046 0.5144 -1.4262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14406 4277SOL HW214404 1.983 2.702 -0.019 1.1834 0.1336 1.3983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14407 4278SOL OW14405 2.118 2.167 0.827 0.5391 0.3934 0.1193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14408 4278SOL HW114406 2.149 2.118 0.909 0.9615 -0.7997 -0.7337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14409 4278SOL HW214407 2.018 2.157 0.818 0.7421 -1.2783 -0.6271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14410 4279SOL OW14408 1.919 2.212 0.337 0.0971 -0.7823 0.4959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14411 4279SOL HW114409 1.855 2.136 0.329 0.3209 -1.3265 2.9157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14412 4279SOL HW214410 1.986 2.208 0.263 0.0471 -2.8880 0.5182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14413 4280SOL OW14411 2.494 2.963 1.026 -0.1301 -0.0372 -0.1720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14414 4280SOL HW114412 2.410 3.016 1.039 0.1555 0.0098 1.9292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14415 4280SOL HW214413 2.549 3.005 0.954 -0.8128 1.3782 0.0836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14416 4281SOL OW14414 3.475 3.295 0.738 -0.6772 0.8910 0.1347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14417 4281SOL HW114415 3.378 3.294 0.760 -1.1606 -0.2633 -1.7624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14418 4281SOL HW214416 3.492 3.365 0.668 -0.8094 -1.0164 -1.9143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14419 4282SOL OW14417 2.765 2.726 0.383 -0.3214 -0.0560 0.1773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14420 4282SOL HW114418 2.750 2.803 0.320 -0.9887 0.2011 0.6428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14421 4282SOL HW214419 2.814 2.758 0.464 2.3959 -0.7808 -1.0822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14422 4283SOL OW14420 3.491 2.765 0.163 0.8570 0.2913 0.0199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14423 4283SOL HW114421 3.479 2.723 0.073 1.3470 -2.7886 1.2591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14424 4283SOL HW214422 3.406 2.807 0.192 -0.4245 -1.8008 -0.4757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14425 4284SOL OW14423 2.704 2.776 1.089 -0.0327 -0.4092 -0.3501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14426 4284SOL HW114424 2.618 2.825 1.074 -0.3815 -1.7686 -3.5928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14427 4284SOL HW214425 2.780 2.830 1.052 -0.0400 -0.9115 -1.1301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14428 4285SOL OW14426 2.708 2.528 1.804 0.1153 0.1249 -0.6608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14429 4285SOL HW114427 2.696 2.572 1.893 -0.3289 0.0864 -0.6977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14430 4285SOL HW214428 2.741 2.595 1.737 -0.2620 0.3358 -0.6422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14431 4286SOL OW14429 2.564 2.911 0.538 -0.3082 0.7742 0.1926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14432 4286SOL HW114430 2.645 2.878 0.585 -0.0928 -0.7130 -1.1526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14433 4286SOL HW214431 2.485 2.904 0.599 0.0958 -0.3705 0.6139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14434 4287SOL OW14432 2.688 2.907 1.877 0.1540 0.1916 -0.1748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14435 4287SOL HW114433 2.693 2.972 1.953 -0.7508 -0.4162 0.4176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14436 4287SOL HW214434 2.593 2.893 1.851 0.2261 -1.7504 0.4750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14437 4288SOL OW14435 2.287 3.214 0.921 0.1224 0.2925 -0.9791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14438 4288SOL HW114436 2.191 3.206 0.891 0.3818 -1.7965 -1.3673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14439 4288SOL HW214437 2.326 3.297 0.882 -1.0913 0.3725 -2.1280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14440 4289SOL OW14438 3.327 3.299 1.435 -0.4891 0.0811 0.2163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14441 4289SOL HW114439 3.305 3.361 1.359 -0.0194 0.4235 0.3521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14442 4289SOL HW214440 3.246 3.286 1.492 -0.8343 -0.1572 -0.3338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14443 4290SOL OW14441 2.466 1.985 1.424 0.1411 -0.2887 -0.3215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14444 4290SOL HW114442 2.552 1.936 1.442 1.5397 2.4455 1.0644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14445 4290SOL HW214443 2.399 1.962 1.495 1.4702 1.2068 1.5022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14446 4291SOL OW14444 3.409 2.440 0.704 0.7490 -0.0040 -0.5424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14447 4291SOL HW114445 3.385 2.492 0.623 0.5422 -1.0300 -1.1559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14448 4291SOL HW214446 3.451 2.500 0.772 -0.8530 1.2603 -0.6165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14449 4292SOL OW14447 2.115 3.445 0.611 -0.2865 -0.0989 0.1947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14450 4292SOL HW114448 2.066 3.526 0.642 -0.5605 -0.4005 0.5588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14451 4292SOL HW214449 2.211 3.469 0.595 -0.4409 0.3777 -0.0476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14452 4293SOL OW14450 3.118 2.945 1.666 0.1821 0.3170 -0.5124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14453 4293SOL HW114451 3.185 2.975 1.735 0.4422 0.6508 -0.9053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14454 4293SOL HW214452 3.035 2.914 1.712 0.9315 -0.9624 0.0248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14455 4294SOL OW14453 1.917 3.278 0.538 0.2894 -0.3856 0.0785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14456 4294SOL HW114454 1.979 3.343 0.581 -0.5838 -0.0260 0.8177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14457 4294SOL HW214455 1.903 3.200 0.599 0.1256 -0.5346 -0.1471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14458 4295SOL OW14456 2.172 2.898 0.957 -0.0529 -0.3628 0.3557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14459 4295SOL HW114457 2.163 2.818 0.898 0.9351 -0.8709 0.8749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14460 4295SOL HW214458 2.117 2.973 0.919 -0.3684 -1.0360 -0.5631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14461 4296SOL OW14459 2.379 3.635 1.317 0.3693 0.2463 -0.2709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14462 4296SOL HW114460 2.310 3.589 1.373 -1.3965 1.1822 -1.5791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14463 4296SOL HW214461 2.464 3.583 1.320 -0.9075 -1.9707 -0.0024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14464 4297SOL OW14462 2.256 2.819 0.152 -0.4658 -0.3714 0.0355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14465 4297SOL HW114463 2.259 2.734 0.100 0.1557 -0.5615 0.3683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14466 4297SOL HW214464 2.335 2.823 0.213 -1.2510 -0.2285 1.0767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14467 4298SOL OW14465 3.660 1.945 1.362 -0.5201 0.8194 0.0422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14468 4298SOL HW114466 3.680 2.042 1.373 -1.2214 1.0506 -0.6155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14469 4298SOL HW214467 3.723 1.891 1.418 -2.6586 1.7772 3.7289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14470 4299SOL OW14468 2.006 2.396 0.644 -0.3872 -0.1273 0.2415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14471 4299SOL HW114469 1.950 2.403 0.562 -0.9988 -0.6799 0.6055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14472 4299SOL HW214470 1.950 2.411 0.725 -0.4926 -2.7266 0.7319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14473 4300SOL OW14471 3.807 3.341 0.022 0.4283 0.5081 -0.6557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14474 4300SOL HW114472 3.873 3.345 -0.053 0.1298 -0.7451 -1.0023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14475 4300SOL HW214473 3.827 3.414 0.088 0.1945 2.1567 -2.3310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14476 4301SOL OW14474 1.759 3.406 0.105 -0.2342 -0.3303 -0.0340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14477 4301SOL HW114475 1.703 3.328 0.133 0.9265 -1.0757 0.2482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14478 4301SOL HW214476 1.853 3.394 0.137 0.6455 -0.1785 -2.3374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14479 4302SOL OW14477 3.555 2.726 0.600 0.2348 0.2406 -0.0743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14480 4302SOL HW114478 3.547 2.667 0.680 -0.4635 1.1120 0.5159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14481 4302SOL HW214479 3.559 2.822 0.629 -0.5564 0.6002 -1.1033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14482 4303SOL OW14480 3.456 3.061 0.443 0.2859 0.0963 0.7134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14483 4303SOL HW114481 3.528 3.080 0.376 -1.0478 1.2625 -0.4471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14484 4303SOL HW214482 3.498 3.045 0.532 2.0350 -0.2724 -0.1130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14485 4304SOL OW14483 2.120 2.552 1.465 -0.4794 -0.1364 0.7952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14486 4304SOL HW114484 2.185 2.584 1.396 0.4748 1.1584 2.2273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14487 4304SOL HW214485 2.032 2.533 1.422 0.3405 -0.2735 -0.9047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14488 4305SOL OW14486 2.491 3.231 0.644 0.2131 0.1921 -0.7410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14489 4305SOL HW114487 2.406 3.178 0.641 1.1195 -1.3108 -1.5494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14490 4305SOL HW214488 2.517 3.258 0.551 -0.2443 2.1471 -0.3375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14491 4306SOL OW14489 3.102 3.047 1.420 -0.2840 -0.0787 -0.2413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14492 4306SOL HW114490 3.104 2.979 1.346 -1.0514 0.6121 -0.9259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14493 4306SOL HW214491 3.094 3.000 1.508 -0.1602 -0.8918 -0.6508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14494 4307SOL OW14492 2.595 1.934 0.665 -0.4328 0.7187 0.2600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14495 4307SOL HW114493 2.596 2.011 0.600 0.1442 2.2555 1.9955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14496 4307SOL HW214494 2.507 1.932 0.711 0.3656 1.9300 1.9437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14497 4308SOL OW14495 2.186 2.868 1.213 -0.3052 0.3774 -0.3920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14498 4308SOL HW114496 2.235 2.783 1.235 -2.8670 -0.8388 1.0114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14499 4308SOL HW214497 2.190 2.883 1.114 1.9824 -0.1730 -0.4543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14500 4309SOL OW14498 3.250 2.843 0.249 -0.3217 0.0047 0.3259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14501 4309SOL HW114499 3.158 2.806 0.254 -0.6685 0.9170 0.9107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14502 4309SOL HW214500 3.264 2.910 0.322 0.1512 1.3086 -0.8902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14503 4310SOL OW14501 3.248 3.714 1.636 0.3340 0.1893 -0.1048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14504 4310SOL HW114502 3.259 3.771 1.718 -0.3116 2.0614 -1.2422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14505 4310SOL HW214503 3.171 3.653 1.648 0.5331 0.1084 0.8556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14506 4311SOL OW14504 2.267 2.222 1.923 0.2942 0.1629 -0.2262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14507 4311SOL HW114505 2.260 2.321 1.909 1.1119 0.1312 -0.9768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14508 4311SOL HW214506 2.194 2.177 1.871 -0.5123 0.4006 0.6811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14509 4312SOL OW14507 3.224 3.299 0.854 -0.1343 -0.1899 -0.0535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14510 4312SOL HW114508 3.178 3.265 0.936 0.8762 -0.0491 0.5983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14511 4312SOL HW214509 3.158 3.309 0.780 -1.1691 0.1529 0.8842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14512 4313SOL OW14510 3.572 3.529 0.286 -0.1570 -0.2608 -0.1057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14513 4313SOL HW114511 3.563 3.457 0.217 1.2173 1.0042 -1.7240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14514 4313SOL HW214512 3.641 3.502 0.353 0.3487 -0.4800 -0.6995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14515 4314SOL OW14513 2.394 2.556 0.347 0.5025 -0.0365 -0.1620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14516 4314SOL HW114514 2.431 2.647 0.327 0.3727 0.6044 2.2783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14517 4314SOL HW214515 2.369 2.550 0.443 -0.5678 -2.3123 -0.5169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14518 4315SOL OW14516 3.027 2.467 0.703 -0.4611 -0.0412 -0.1219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14519 4315SOL HW114517 3.026 2.435 0.797 1.3273 -0.9255 -0.3622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14520 4315SOL HW214518 3.028 2.388 0.641 0.8338 0.4869 -0.8064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14521 4316SOL OW14519 3.550 3.298 0.129 -0.0691 0.7511 0.0936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14522 4316SOL HW114520 3.647 3.294 0.105 0.4108 1.3453 1.8095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14523 4316SOL HW214521 3.501 3.349 0.058 0.5477 -0.9299 -1.6266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14524 4317SOL OW14522 2.647 2.233 1.634 0.3509 -0.0336 -0.1791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14525 4317SOL HW114523 2.552 2.222 1.605 0.2331 -0.4106 0.3425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14526 4317SOL HW214524 2.667 2.169 1.708 0.5373 1.1554 0.8227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14527 4318SOL OW14525 3.208 2.168 1.714 -0.1958 0.3045 0.3925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14528 4318SOL HW114526 3.223 2.184 1.811 -1.7793 -1.7735 1.0591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14529 4318SOL HW214527 3.291 2.129 1.673 0.0698 0.0008 1.2088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14530 4319SOL OW14528 2.845 2.668 1.577 -0.0339 -0.3606 -0.0521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14531 4319SOL HW114529 2.891 2.587 1.541 0.3188 -0.6079 0.9128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14532 4319SOL HW214530 2.792 2.712 1.505 0.8597 -0.6850 -0.9170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14533 4320SOL OW14531 2.885 2.097 1.110 0.0675 0.3285 0.0833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14534 4320SOL HW114532 2.797 2.104 1.063 -0.0152 -1.8633 -0.1825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14535 4320SOL HW214533 2.940 2.026 1.066 1.6973 1.1489 0.7136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14536 4321SOL OW14534 2.657 2.485 0.267 -0.2689 -0.2322 0.0610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14537 4321SOL HW114535 2.711 2.562 0.300 0.2200 -0.3437 -0.4630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14538 4321SOL HW214536 2.560 2.508 0.270 -0.1851 0.0313 0.8541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14539 4322SOL OW14537 1.834 2.388 0.852 0.3795 0.3216 0.6773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14540 4322SOL HW114538 1.773 2.310 0.839 -0.4135 1.0576 -0.1593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14541 4322SOL HW214539 1.784 2.473 0.835 1.4529 0.9753 0.6940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14542 4323SOL OW14540 1.928 3.708 1.417 -0.2690 -0.4652 -0.5622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14543 4323SOL HW114541 1.891 3.801 1.413 -3.0021 -1.3488 1.1577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14544 4323SOL HW214542 1.870 3.648 1.362 1.1328 -1.2867 -1.1875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14545 4324SOL OW14543 2.739 1.961 0.057 -0.2897 0.0674 -0.4433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14546 4324SOL HW114544 2.835 1.981 0.078 0.2586 -1.7505 -1.0521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14547 4324SOL HW214545 2.702 1.900 0.128 -0.7019 -0.0066 -0.7217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14548 4325SOL OW14546 3.530 2.354 1.733 0.2844 0.6297 0.1209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14549 4325SOL HW114547 3.537 2.454 1.738 -1.7289 0.7742 1.3511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14550 4325SOL HW214548 3.488 2.328 1.646 -0.7844 1.0111 0.5021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14551 4326SOL OW14549 3.199 3.079 0.415 0.0292 -0.2133 0.1386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14552 4326SOL HW114550 3.294 3.092 0.442 -0.1413 -0.1755 0.7485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14553 4326SOL HW214551 3.187 3.104 0.319 0.6686 -0.4032 0.0080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14554 4327SOL OW14552 2.374 1.979 0.778 0.1811 -0.4183 0.2169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14555 4327SOL HW114553 2.307 1.996 0.850 1.7464 1.7794 1.3014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14556 4327SOL HW214554 2.388 2.064 0.726 3.3079 -0.2176 1.1776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14557 4328SOL OW14555 2.877 3.283 0.391 0.6676 -0.0966 -0.0791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14558 4328SOL HW114556 2.809 3.214 0.415 2.0196 -0.7135 2.3498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14559 4328SOL HW214557 2.839 3.374 0.408 0.4342 -0.4330 1.3403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14560 4329SOL OW14558 2.310 3.683 0.828 -0.1642 -0.0524 0.4524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14561 4329SOL HW114559 2.346 3.592 0.806 -0.3578 -0.6463 2.3740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14562 4329SOL HW214560 2.369 3.726 0.896 0.5057 1.7414 -1.1851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14563 4330SOL OW14561 3.547 2.831 0.988 -0.5037 0.0915 0.0806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14564 4330SOL HW114562 3.475 2.889 0.950 -1.4046 -0.3974 0.9793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14565 4330SOL HW214563 3.531 2.819 1.086 1.2580 0.6131 0.4652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14566 4331SOL OW14564 3.058 3.298 1.533 -0.3133 0.0237 -0.5517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14567 4331SOL HW114565 3.070 3.202 1.508 -0.9171 0.3127 -2.0695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14568 4331SOL HW214566 2.982 3.337 1.481 -0.9211 1.0055 0.9816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14569 4332SOL OW14567 2.011 2.899 0.257 -0.3979 0.7079 -0.4111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14570 4332SOL HW114568 2.096 2.863 0.220 -0.7137 1.2586 -1.6989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14571 4332SOL HW214569 1.941 2.827 0.255 -0.2946 0.6084 -0.4505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14572 4333SOL OW14570 3.253 2.776 0.777 0.3332 0.3111 0.0000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14573 4333SOL HW114571 3.249 2.707 0.849 1.3359 1.4668 1.2230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14574 4333SOL HW214572 3.200 2.745 0.698 -1.9911 -0.4325 1.7211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14575 4334SOL OW14573 2.454 3.181 1.712 -0.6123 -0.1026 -0.2497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14576 4334SOL HW114574 2.491 3.162 1.621 -1.6503 -2.1005 -0.2968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14577 4334SOL HW214575 2.359 3.150 1.717 -0.4933 -0.2956 1.5995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14578 4335SOL OW14576 3.142 3.591 0.227 0.4602 0.3764 0.1054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14579 4335SOL HW114577 3.117 3.663 0.292 -1.6981 -0.0147 -0.2031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14580 4335SOL HW214578 3.155 3.505 0.276 0.1468 0.3693 0.1824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14581 4336SOL OW14579 2.208 2.324 1.562 -0.3919 0.1208 -0.8138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14582 4336SOL HW114580 2.158 2.410 1.556 0.3408 0.4517 -2.7849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14583 4336SOL HW214581 2.301 2.336 1.529 0.9739 -0.5840 2.4086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14584 4337SOL OW14582 3.612 3.053 0.226 0.3134 0.5928 0.5513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14585 4337SOL HW114583 3.580 3.135 0.178 1.9717 -0.5970 -2.9568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14586 4337SOL HW214584 3.594 2.973 0.169 1.8148 -1.0674 2.2899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14587 4338SOL OW14585 2.385 3.642 0.562 0.2852 -0.2269 -0.5664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14588 4338SOL HW114586 2.389 3.685 0.653 -1.2588 0.7382 -0.9189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14589 4338SOL HW214587 2.396 3.712 0.492 -2.0551 -0.3796 -1.1552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14590 4339SOL OW14588 3.202 1.861 0.489 -0.2965 -0.2812 0.4106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14591 4339SOL HW114589 3.166 1.772 0.460 -0.3658 -0.2125 0.2852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14592 4339SOL HW214590 3.207 1.923 0.411 -1.0024 0.0817 0.6393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14593 4340SOL OW14591 1.962 3.543 1.080 0.3803 -0.3796 -0.0061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14594 4340SOL HW114592 1.906 3.570 1.002 -0.8260 0.9031 1.2230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14595 4340SOL HW214593 1.996 3.625 1.126 -0.9459 -0.9755 2.1755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14596 4341SOL OW14594 2.886 3.522 0.693 0.0159 -0.1453 -0.3096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14597 4341SOL HW114595 2.968 3.473 0.667 -0.0004 0.1063 -0.8565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14598 4341SOL HW214596 2.817 3.513 0.620 0.1432 0.9704 -0.5853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14599 4342SOL OW14597 2.251 2.512 0.595 -0.7311 -0.2460 -0.0595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14600 4342SOL HW114598 2.300 2.434 0.556 1.6886 0.1377 1.9665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14601 4342SOL HW214599 2.156 2.487 0.612 -0.6089 -1.9531 -1.5869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14602 4343SOL OW14600 3.378 2.013 1.522 -0.5204 0.0913 -0.2472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14603 4343SOL HW114601 3.476 1.997 1.512 -0.5761 0.8646 -2.5845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14604 4343SOL HW214602 3.327 1.938 1.480 -0.8291 1.6914 -2.9759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14605 4344SOL OW14603 2.294 2.025 7.032 -1.1513 -0.1632 -1.1475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14606 4344SOL HW114604 2.272 1.972 7.114 1.2975 0.5751 0.1137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14607 4344SOL HW214605 2.220 2.089 7.013 -0.8677 1.3026 1.9686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14608 4345SOL OW14606 2.608 1.957 1.786 -0.0461 -0.2024 0.6049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14609 4345SOL HW114607 2.691 1.903 1.774 0.7352 0.8846 0.9325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14610 4345SOL HW214608 2.549 1.948 1.706 -0.6318 -2.6615 1.2434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14611 4346SOL OW14609 2.638 3.281 1.082 -0.3110 -0.0693 -0.1465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14612 4346SOL HW114610 2.619 3.211 1.014 0.3909 0.2395 -0.6780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14613 4346SOL HW214611 2.625 3.372 1.042 -2.2021 0.1278 0.8320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14614 4347SOL OW14612 3.090 2.345 1.551 -0.1380 0.2262 0.4340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14615 4347SOL HW114613 3.135 2.271 1.602 -2.6963 -1.6608 0.1669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14616 4347SOL HW214614 3.159 2.404 1.509 2.0281 -1.7143 1.0808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14617 4348SOL OW14615 2.628 3.119 0.845 0.0385 -0.4212 0.3131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14618 4348SOL HW114616 2.723 3.121 0.814 0.4408 1.2042 1.5175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14619 4348SOL HW214617 2.568 3.151 0.772 0.1852 -2.8096 -0.9654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14620 4349SOL OW14618 2.716 2.450 0.679 0.0361 -0.2249 -0.1667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14621 4349SOL HW114619 2.691 2.396 0.599 -1.7170 0.9262 -0.4585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14622 4349SOL HW214620 2.803 2.497 0.662 0.3208 -0.9854 -0.8707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14623 4350SOL OW14621 2.510 2.048 0.407 0.5631 0.4352 0.2476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14624 4350SOL HW114622 2.446 2.125 0.409 1.8676 1.5384 1.7143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14625 4350SOL HW214623 2.537 2.029 0.313 1.1344 2.5575 -0.0582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14626 4351SOL OW14624 3.270 2.889 7.226 -0.2456 0.2439 -0.0490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14627 4351SOL HW114625 3.289 2.909 7.322 -1.6524 2.1093 -0.0974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14628 4351SOL HW214626 3.176 2.918 7.204 1.2435 3.6999 -2.9148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14629 4352SOL OW14627 2.012 1.708 7.217 0.3470 -0.2728 0.0131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14630 4352SOL HW114628 2.000 1.688 7.120 1.3866 -1.1515 0.0405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14631 4352SOL HW214629 2.079 1.782 7.228 -0.2090 0.2285 0.0468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14632 4353SOL OW14630 2.891 2.034 0.341 0.5798 0.3784 -0.0310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14633 4353SOL HW114631 2.970 2.070 0.391 1.1585 -1.3344 0.3590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14634 4353SOL HW214632 2.909 1.940 0.314 0.1590 1.0730 -3.2305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14635 4354SOL OW14633 2.843 2.381 1.455 1.0552 -0.2009 -0.7124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14636 4354SOL HW114634 2.774 2.328 1.504 0.4088 0.2573 -1.1220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14637 4354SOL HW214635 2.933 2.362 1.495 0.5132 0.3608 0.8429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14638 4355SOL OW14636 3.078 3.376 0.607 -0.1951 -0.0840 -0.3408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14639 4355SOL HW114637 3.139 3.453 0.591 -0.0559 -0.2382 -0.5585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14640 4355SOL HW214638 3.032 3.352 0.522 0.1029 -0.5306 -0.3789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14641 4356SOL OW14639 2.323 3.008 0.702 -0.5144 -0.0121 0.2168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14642 4356SOL HW114640 2.283 3.031 0.790 -0.8792 0.4474 -0.0648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14643 4356SOL HW214641 2.326 2.908 0.692 1.2043 -0.1443 1.4989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14644 4357SOL OW14642 3.269 3.553 0.582 -0.4001 -0.2548 0.1832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14645 4357SOL HW114643 3.248 3.644 0.546 0.8185 -0.1872 -0.3864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14646 4357SOL HW214644 3.368 3.542 0.591 -0.5506 -1.3882 0.6155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14647 4358SOL OW14645 2.926 2.236 7.152 -0.4344 -0.3918 0.3317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14648 4358SOL HW114646 2.993 2.276 7.090 -1.9602 1.2400 -0.3483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14649 4358SOL HW214647 2.953 2.254 7.247 0.5995 -0.6736 0.1018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14650 4359SOL OW14648 2.135 2.308 1.288 0.4188 -0.4955 0.0801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14651 4359SOL HW114649 2.214 2.316 1.227 0.8616 -2.7829 0.2916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14652 4359SOL HW214650 2.165 2.314 1.383 0.1457 -0.0689 0.1447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14653 4360SOL OW14651 2.436 2.122 1.184 0.2044 -0.0315 -0.0030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14654 4360SOL HW114652 2.458 2.074 1.270 0.4535 -0.5670 -0.3601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14655 4360SOL HW214653 2.345 2.093 1.153 -0.2349 0.7774 0.4991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14656 4361SOL OW14654 2.649 2.299 0.459 0.5033 0.1204 -0.1951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14657 4361SOL HW114655 2.657 2.201 0.440 0.6383 0.3808 -1.6371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14658 4361SOL HW214656 2.631 2.348 0.374 -0.3312 1.2822 0.6179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14659 4362SOL OW14657 3.034 2.245 0.556 0.3736 -0.0938 -0.0895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14660 4362SOL HW114658 2.949 2.192 0.551 -1.1163 1.9122 1.9245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14661 4362SOL HW214659 3.093 2.206 0.626 -1.3852 1.5432 2.5188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14662 4363SOL OW14660 3.379 2.995 0.882 0.1700 -0.6345 0.2210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14663 4363SOL HW114661 3.336 2.919 0.833 0.4869 -1.5055 1.2375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14664 4363SOL HW214662 3.352 3.082 0.840 1.2243 -1.3494 -2.0983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14665 4364SOL OW14663 3.242 2.553 0.923 -0.0623 -0.1972 0.3427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14666 4364SOL HW114664 3.172 2.490 0.890 0.6597 -0.6103 -0.4486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14667 4364SOL HW214665 3.327 2.503 0.940 -0.3251 0.0354 2.6863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14668 4365SOL OW14666 3.675 2.743 0.354 0.1473 -0.5752 -0.4251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14669 4365SOL HW114667 3.633 2.741 0.445 -0.8402 -0.0676 -0.8456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14670 4365SOL HW214668 3.608 2.778 0.288 0.9677 -0.5917 -1.2826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14671 4366SOL OW14669 2.366 3.172 0.320 -0.3036 0.7607 -0.0556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14672 4366SOL HW114670 2.283 3.157 0.374 -0.5334 -0.9591 -0.8320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14673 4366SOL HW214671 2.366 3.111 0.241 1.4452 1.1209 -0.3668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14674 4367SOL OW14672 3.587 2.963 0.695 0.3093 -0.1373 -0.1047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14675 4367SOL HW114673 3.686 2.974 0.696 0.4305 -0.7345 -2.2609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14676 4367SOL HW214674 3.550 2.991 0.784 2.1899 1.8793 0.1369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14677 4368SOL OW14675 3.122 2.321 6.975 0.4606 0.0970 -0.4058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14678 4368SOL HW114676 3.200 2.306 6.914 2.4645 -0.9920 2.2258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14679 4368SOL HW214677 3.151 2.376 7.053 -0.9261 -1.7046 1.4949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14680 4369SOL OW14678 2.273 2.101 0.176 0.7251 -0.3393 -0.0447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14681 4369SOL HW114679 2.199 2.164 0.153 -1.0633 -2.4920 -0.6603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14682 4369SOL HW214680 2.357 2.129 0.130 0.2946 2.0980 0.5370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14683 4370SOL OW14681 3.692 3.075 1.610 0.2747 -0.0309 0.0823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14684 4370SOL HW114682 3.778 3.027 1.590 0.5592 0.0459 1.0786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14685 4370SOL HW214683 3.710 3.153 1.669 -0.3666 0.5628 -0.4861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14686 4371SOL OW14684 2.860 3.145 1.199 -0.5967 0.4406 0.2502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14687 4371SOL HW114685 2.780 3.182 1.152 0.1497 0.2033 -1.2831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14688 4371SOL HW214686 2.861 3.177 1.293 -1.1644 2.5203 -0.3840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14689 4372SOL OW14687 3.456 3.477 1.636 0.2218 0.0098 -0.3152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14690 4372SOL HW114688 3.389 3.549 1.620 -0.8336 -0.5058 1.4488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14691 4372SOL HW214689 3.448 3.407 1.565 -0.8296 0.1822 -0.3777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14692 4373SOL OW14690 2.912 2.935 1.011 0.2708 -0.0359 -0.3551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14693 4373SOL HW114691 2.877 3.022 1.047 2.5164 0.4096 1.0020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14694 4373SOL HW214692 2.971 2.953 0.932 0.1852 -0.3971 -0.5013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14695 4374SOL OW14693 3.429 2.873 1.257 -0.4012 -0.0959 -0.0540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14696 4374SOL HW114694 3.485 2.934 1.312 -1.1670 0.9685 -0.4256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14697 4374SOL HW214695 3.338 2.865 1.298 -0.1994 -1.2871 0.1895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14698 4375SOL OW14696 2.839 1.890 1.293 -0.3010 0.3577 -0.1178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14699 4375SOL HW114697 2.885 1.850 1.214 -0.6511 -0.4313 0.0695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14700 4375SOL HW214698 2.902 1.949 1.343 -0.7636 3.1295 -2.5057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14701 4376SOL OW14699 2.915 2.784 1.806 0.3375 0.0863 0.3752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14702 4376SOL HW114700 2.825 2.826 1.822 -0.2307 -1.3301 1.0967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14703 4376SOL HW214701 2.913 2.732 1.721 0.1459 -0.7489 0.8768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14704 4377SOL OW14702 2.485 2.798 0.292 -0.1526 -0.6547 -0.5373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14705 4377SOL HW114703 2.492 2.840 0.382 0.0245 -2.2128 0.2039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14706 4377SOL HW214704 2.563 2.824 0.236 -1.0835 1.6516 -0.8566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14707 4378SOL OW14705 2.329 2.612 1.260 0.1879 -0.0716 0.4566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14708 4378SOL HW114706 2.410 2.629 1.315 0.5322 1.1648 -0.3743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14709 4378SOL HW214707 2.327 2.516 1.231 1.2083 -0.1798 0.7085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14710 4379SOL OW14708 3.080 2.219 1.250 0.7158 0.1589 -0.0656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14711 4379SOL HW114709 3.071 2.297 1.312 0.7971 -0.7636 1.1508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14712 4379SOL HW214710 2.989 2.190 1.220 0.6300 0.2410 0.1124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14713 4380SOL OW14711 2.016 3.338 1.239 -0.2124 -0.1483 -0.2692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14714 4380SOL HW114712 1.995 3.417 1.182 -1.9274 -0.8408 -0.6696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14715 4380SOL HW214713 2.112 3.315 1.229 0.4608 2.1893 0.2830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14716 4381SOL OW14714 2.016 2.835 0.543 0.8419 0.1345 0.4659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14717 4381SOL HW114715 2.100 2.781 0.549 -0.2725 -1.7618 -0.1614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14718 4381SOL HW214716 2.021 2.897 0.465 0.6920 -1.8269 -1.1704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14719 4382SOL OW14717 2.441 2.226 0.697 0.3728 -0.5985 0.2963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14720 4382SOL HW114718 2.458 2.253 0.602 -0.3187 0.5705 0.4883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14721 4382SOL HW214719 2.460 2.303 0.757 -0.6744 -0.8455 0.9729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14722 4383SOL OW14720 2.985 3.201 0.131 0.1047 -0.0764 0.7115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14723 4383SOL HW114721 3.080 3.232 0.127 -0.5099 1.8592 -0.0784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14724 4383SOL HW214722 2.947 3.221 0.221 -0.5415 2.5199 -0.0406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14725 4384SOL OW14723 3.098 3.190 1.059 -0.8917 -0.3588 -0.1017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14726 4384SOL HW114724 3.172 3.137 1.101 -2.4535 -2.5741 -0.0097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14727 4384SOL HW214725 3.014 3.178 1.112 -1.6558 1.0584 -0.9313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14728 4385SOL OW14726 3.349 2.590 0.491 0.3708 0.7167 0.4138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14729 4385SOL HW114727 3.260 2.634 0.483 0.1474 0.8363 2.7865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14730 4385SOL HW214728 3.421 2.660 0.494 0.6596 0.6091 -1.9199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14731 4386SOL OW14729 2.283 3.279 1.206 0.1293 -0.6387 0.6170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14732 4386SOL HW114730 2.301 3.268 1.108 -0.2064 -0.1429 0.4960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14733 4386SOL HW214731 2.369 3.299 1.254 0.2201 -0.3551 0.3433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14734 4387SOL OW14732 2.375 2.799 1.638 0.4311 -0.4588 -0.1189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14735 4387SOL HW114733 2.419 2.866 1.578 0.6160 -1.2642 -0.9037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14736 4387SOL HW214734 2.413 2.708 1.620 -0.5030 -0.9355 0.2396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14737 4388SOL OW14735 3.521 2.613 1.682 -0.5855 0.0656 0.0349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14738 4388SOL HW114736 3.422 2.609 1.696 -0.2917 -1.7711 2.3107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14739 4388SOL HW214737 3.541 2.651 1.592 -3.3477 0.1629 -0.6215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14740 4389SOL OW14738 2.849 1.867 1.700 0.0162 -0.3498 -0.0504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14741 4389SOL HW114739 2.904 1.949 1.685 0.4424 -0.4149 1.0425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14742 4389SOL HW214740 2.906 1.797 1.743 -0.8176 -0.5604 0.7241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14743 4390SOL OW14741 2.372 2.094 1.686 -0.2162 0.4225 0.3535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14744 4390SOL HW114742 2.361 2.139 1.775 0.9560 1.4911 -0.0057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14745 4390SOL HW214743 2.312 2.138 1.619 1.3154 1.8904 -0.1214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14746 4391SOL OW14744 2.395 2.690 0.983 -0.1431 0.3958 0.1861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14747 4391SOL HW114745 2.427 2.782 1.006 -0.6862 0.3278 1.2433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14748 4391SOL HW214746 2.361 2.645 1.065 -0.7533 -0.4104 -0.4948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14749 4392SOL OW14747 3.149 2.571 1.180 0.2707 -0.0741 -0.3148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14750 4392SOL HW114748 3.049 2.563 1.179 0.4130 -3.4120 0.4057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14751 4392SOL HW214749 3.184 2.563 1.087 -0.0813 0.5816 -0.5117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14752 4393SOL OW14750 2.882 2.378 0.140 0.1867 -0.4494 0.1141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14753 4393SOL HW114751 2.976 2.372 0.173 -0.5647 0.0902 2.5564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14754 4393SOL HW214752 2.819 2.364 0.216 -1.7170 0.5200 -1.2071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14755 4394SOL OW14753 2.186 2.052 1.068 0.5421 0.7050 0.1895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14756 4394SOL HW114754 2.098 2.068 1.113 0.2963 0.1045 -0.0717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14757 4394SOL HW214755 2.210 1.955 1.074 0.6791 0.6820 -0.6516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14758 4395SOL OW14756 1.835 3.189 1.084 0.2382 0.2076 -0.3328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14759 4395SOL HW114757 1.865 3.109 1.137 0.4638 0.0135 -0.7473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14760 4395SOL HW214758 1.896 3.266 1.104 0.3952 0.1019 -0.3979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14761 4396SOL OW14759 2.502 2.462 0.835 -0.4780 0.5887 0.3540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14762 4396SOL HW114760 2.581 2.481 0.776 -0.9287 -0.8166 -0.7749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14763 4396SOL HW214761 2.493 2.535 0.902 0.5212 1.8796 -0.8299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14764 4397SOL OW14762 3.711 2.762 1.828 0.2816 -0.0712 -0.2687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14765 4397SOL HW114763 3.637 2.702 1.798 -0.8597 0.7533 0.7997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14766 4397SOL HW214764 3.679 2.857 1.828 1.6902 0.4397 -0.8105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14767 4398SOL OW14765 2.119 1.894 0.359 0.0816 0.2362 0.1597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14768 4398SOL HW114766 2.167 1.925 0.277 -0.8860 1.5383 0.0561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14769 4398SOL HW214767 2.105 1.972 0.421 2.2679 -0.9729 2.3747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14770 4399SOL OW14768 3.387 2.451 0.194 0.2392 -0.4667 -0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14771 4399SOL HW114769 3.480 2.430 0.164 0.4718 1.2156 -0.6354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14772 4399SOL HW214770 3.390 2.514 0.271 -0.4286 -1.3762 0.7193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14773 4400SOL OW14771 2.772 2.323 0.916 -0.4269 -0.1258 -0.4576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14774 4400SOL HW114772 2.748 2.373 0.833 -1.4557 0.7537 0.3343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14775 4400SOL HW214773 2.696 2.264 0.943 -0.1008 -0.4135 -0.1562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14776 4401SOL OW14774 3.064 3.514 1.722 0.1056 -0.7074 0.3837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14777 4401SOL HW114775 3.079 3.434 1.664 -0.4633 -1.0674 0.7239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14778 4401SOL HW214776 2.993 3.572 1.682 -0.0505 -0.7845 0.5483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14779 4402SOL OW14777 3.856 3.335 1.674 -0.0370 -0.3860 -0.3207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14780 4402SOL HW114778 3.773 3.359 1.624 -0.2047 0.4377 0.3304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14781 4402SOL HW214779 3.923 3.295 1.611 -0.2207 0.6625 -1.2063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14782 4403SOL OW14780 2.419 2.922 1.893 -0.7692 0.0381 0.3479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14783 4403SOL HW114781 2.417 3.020 1.874 -0.5677 -0.0071 0.0816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14784 4403SOL HW214782 2.393 2.871 1.811 -2.4283 -0.0958 0.9279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14785 4404SOL OW14783 3.188 2.395 7.253 -0.0189 0.0372 -0.2596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14786 4404SOL HW114784 3.129 2.475 7.241 -1.2677 -0.5604 1.4602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14787 4404SOL HW214785 3.259 2.416 7.320 0.6937 0.2151 -1.0546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14788 4405SOL OW14786 3.093 2.652 7.226 0.0053 0.3055 -0.1322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14789 4405SOL HW114787 3.167 2.717 7.240 1.7632 -1.4770 -0.6547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14790 4405SOL HW214788 3.052 2.666 7.136 0.2212 0.8088 -0.1541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14791 4406SOL OW14789 2.893 3.163 0.810 -0.2247 -0.1897 0.3902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14792 4406SOL HW114790 2.968 3.127 0.754 0.0208 0.0935 0.5332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14793 4406SOL HW214791 2.873 3.257 0.781 -1.5449 -0.7558 -0.6809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14794 4407SOL OW14792 2.089 2.672 0.796 0.1436 -0.0488 -0.2223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14795 4407SOL HW114793 1.989 2.678 0.797 0.1114 -0.4412 1.4310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14796 4407SOL HW214794 2.117 2.581 0.827 1.0261 0.3230 0.0995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14797 4408SOL OW14795 2.228 2.403 0.902 -0.4263 -0.2426 0.4047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14798 4408SOL HW114796 2.190 2.327 0.848 -0.5307 -1.1617 1.7451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14799 4408SOL HW214797 2.310 2.439 0.856 -1.6042 0.3122 -1.3769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14800 4409SOL OW14798 2.937 2.125 1.684 0.2613 0.0918 -0.0241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14801 4409SOL HW114799 2.880 2.197 1.724 0.2796 -0.5286 1.1735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14802 4409SOL HW214800 3.034 2.149 1.696 0.2668 0.3736 -0.6007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14803 4410SOL OW14801 3.036 2.032 1.439 0.4493 0.6754 -0.1588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14804 4410SOL HW114802 2.991 2.073 1.518 1.2874 -0.9573 1.2446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14805 4410SOL HW214803 3.049 2.101 1.368 -1.8020 1.8102 0.4399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14806 4411SOL OW14804 1.628 3.174 0.181 -0.4606 0.4629 0.5986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14807 4411SOL HW114805 1.554 3.120 0.142 -0.7902 0.9109 0.5969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14808 4411SOL HW214806 1.650 3.139 0.272 3.6893 -3.8928 -1.6326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14809 4412SOL OW14807 1.844 3.611 0.846 -0.0213 -0.0003 -0.0191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14810 4412SOL HW114808 1.792 3.557 0.780 -0.1196 0.8725 -0.6618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14811 4412SOL HW214809 1.933 3.635 0.807 0.0396 0.2766 0.2793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14812 4413SOL OW14810 2.408 3.444 0.817 -0.5022 0.9021 -0.2462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14813 4413SOL HW114811 2.483 3.479 0.873 -0.3497 2.3606 -1.2933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14814 4413SOL HW214812 2.442 3.373 0.755 -0.4568 0.0331 0.7542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14815 4414SOL OW14813 2.887 2.559 1.195 -0.2321 0.1224 0.1555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14816 4414SOL HW114814 2.846 2.485 1.248 0.1139 0.9187 1.6080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14817 4414SOL HW214815 2.816 2.604 1.140 -0.7805 -0.1953 0.5892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14818 4415SOL OW14816 1.930 2.441 1.121 -0.0040 -0.6484 0.1128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14819 4415SOL HW114817 2.009 2.388 1.152 1.1835 0.7968 -0.3293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14820 4415SOL HW214818 1.913 2.422 1.024 0.8700 0.2739 -0.2364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14821 4416SOL OW14819 2.114 2.804 1.595 -0.1736 0.2025 -0.6492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14822 4416SOL HW114820 2.123 2.707 1.573 0.8461 0.3976 -1.1639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14823 4416SOL HW214821 2.205 2.842 1.615 -0.7719 0.5806 1.6100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14824 4417SOL OW14822 3.255 2.619 1.674 0.1194 -0.0716 0.0759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14825 4417SOL HW114823 3.248 2.715 1.646 -0.0981 0.2749 1.2804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14826 4417SOL HW214824 3.250 2.561 1.592 -0.5065 0.9020 -0.6109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14827 4418SOL OW14825 2.526 2.164 0.113 -0.3375 -0.2064 -0.3593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14828 4418SOL HW114826 2.608 2.115 0.086 -0.5459 -0.4021 -0.6502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14829 4418SOL HW214827 2.522 2.252 0.066 0.7444 0.7357 1.2173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14830 4419SOL OW14828 3.466 2.407 1.037 0.1577 0.3727 0.3614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14831 4419SOL HW114829 3.394 2.385 1.103 -0.7883 0.0601 -0.7484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14832 4419SOL HW214830 3.546 2.350 1.055 -0.1525 0.1642 1.1180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14833 4420SOL OW14831 2.019 3.312 1.676 0.3718 -0.0455 -0.2714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14834 4420SOL HW114832 1.999 3.331 1.772 0.5724 1.5139 -0.5088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14835 4420SOL HW214833 2.108 3.268 1.669 -0.2738 -1.5213 0.3423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14836 4421SOL OW14834 2.618 2.108 0.961 -0.5896 0.7109 0.0620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14837 4421SOL HW114835 2.551 2.107 1.035 -0.1452 0.6820 0.4673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14838 4421SOL HW214836 2.577 2.068 0.878 -0.7308 -0.2874 0.6019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14839 4422SOL OW14837 2.875 3.393 1.344 -0.3325 -0.1232 -0.5452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14840 4422SOL HW114838 2.792 3.444 1.364 1.0074 1.1037 2.5790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14841 4422SOL HW214839 2.936 3.450 1.288 -0.2350 0.3711 0.0498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14842 4423SOL OW14840 2.129 2.523 0.285 -0.5380 0.1796 0.2820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14843 4423SOL HW114841 2.227 2.535 0.298 -0.2811 -1.9062 0.6553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14844 4423SOL HW214842 2.083 2.524 0.374 -0.8386 0.9236 0.1267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14845 4424SOL OW14843 1.944 2.984 1.236 -0.1520 -0.0209 -0.6469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14846 4424SOL HW114844 1.936 3.010 1.333 -0.6336 -1.9166 -0.1392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14847 4424SOL HW214845 2.021 2.921 1.225 -2.3024 -2.7786 -0.7781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14848 4425SOL OW14846 3.123 2.846 1.220 0.4675 -0.1844 0.1649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14849 4425SOL HW114847 3.130 2.747 1.213 0.4301 -0.2087 0.4705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14850 4425SOL HW214848 3.047 2.878 1.163 1.0388 -0.2366 -0.6406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14851 4426SOL OW14849 2.996 2.724 0.233 -0.9681 0.0010 -0.3960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14852 4426SOL HW114850 2.905 2.709 0.272 -0.2802 -2.2274 0.5276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14853 4426SOL HW214851 3.003 2.674 0.147 -0.4847 -0.2486 -0.2154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14854 4427SOL OW14852 3.547 3.504 1.158 -0.2906 0.0363 0.4429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14855 4427SOL HW114853 3.567 3.473 1.065 3.4426 0.5914 0.9245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14856 4427SOL HW214854 3.605 3.455 1.223 0.4523 2.7512 1.9807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14857 4428SOL OW14855 3.061 3.466 1.125 0.0483 -0.0623 0.2059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14858 4428SOL HW114856 3.143 3.500 1.172 -0.5520 0.8880 0.5878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14859 4428SOL HW214857 3.071 3.368 1.109 1.1589 -0.0107 0.4615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14860 4429SOL OW14858 2.014 3.153 0.862 0.4669 0.0148 0.4124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14861 4429SOL HW114859 1.953 3.152 0.941 -0.0370 1.7812 0.0874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14862 4429SOL HW214860 1.966 3.116 0.782 0.6538 -0.8606 0.6949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14863 4430SOL OW14861 2.820 3.582 1.629 0.1544 -0.3300 -0.3756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14864 4430SOL HW114862 2.824 3.495 1.679 0.6362 -0.0043 0.1635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14865 4430SOL HW214863 2.729 3.623 1.640 0.7233 0.5004 1.5681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14866 4431SOL OW14864 2.428 1.701 0.028 0.1762 -0.3007 -0.0870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14867 4431SOL HW114865 2.445 1.658 -0.060 0.1493 -0.5276 0.0268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14868 4431SOL HW214866 2.514 1.715 0.076 0.2545 0.3731 -0.4047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14869 4432SOL OW14867 3.703 1.955 0.486 -0.1503 -0.4108 0.2018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14870 4432SOL HW114868 3.721 1.975 0.389 -0.8045 -0.7939 0.0007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14871 4432SOL HW214869 3.624 1.895 0.494 -1.1123 0.9301 1.0660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14872 4433SOL OW14870 3.273 3.270 0.167 -0.5515 -0.1504 0.1066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14873 4433SOL HW114871 3.360 3.262 0.216 -1.0879 -2.5404 0.7891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14874 4433SOL HW214872 3.290 3.293 0.071 0.7211 0.6524 0.5024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14875 4434SOL OW14873 1.735 3.606 1.628 -0.0852 -0.3265 -0.6240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14876 4434SOL HW114874 1.664 3.674 1.647 0.6081 0.0244 0.8483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14877 4434SOL HW214875 1.784 3.632 1.545 -0.6277 0.3069 -0.7596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14878 4435SOL OW14876 3.101 2.987 0.656 0.3125 0.3413 -0.0615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14879 4435SOL HW114877 3.189 2.950 0.686 0.8778 1.9381 0.3326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14880 4435SOL HW214878 3.109 3.021 0.563 0.2300 0.8649 0.1215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14881 4436SOL OW14879 2.527 2.944 1.432 -0.6408 -0.1125 0.3319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14882 4436SOL HW114880 2.585 3.018 1.464 -0.3398 0.1186 -0.7028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14883 4436SOL HW214881 2.436 2.980 1.409 -0.4268 -0.0169 -0.3789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14884 4437SOL OW14882 2.547 3.482 0.113 0.7077 -0.1914 0.0699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14885 4437SOL HW114883 2.457 3.441 0.132 0.0831 1.3370 0.5106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14886 4437SOL HW214884 2.613 3.409 0.095 -0.7304 -1.3432 -0.8366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14887 4438SOL OW14885 3.294 3.544 1.274 -0.4407 0.0403 0.1015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14888 4438SOL HW114886 3.383 3.541 1.227 -0.5302 1.3538 -0.2062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14889 4438SOL HW214887 3.278 3.637 1.308 -2.5608 0.3928 -1.5950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14890 4439SOL OW14888 3.683 1.981 0.947 0.2965 -0.2130 -0.0899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14891 4439SOL HW114889 3.746 1.905 0.934 0.9026 0.4653 -1.3564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14892 4439SOL HW214890 3.617 1.983 0.871 -0.5807 -0.2841 0.6548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14893 4440SOL OW14891 2.070 2.096 0.543 -0.5055 0.9355 -0.0453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14894 4440SOL HW114892 2.010 2.156 0.491 -1.5292 0.2005 0.2517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14895 4440SOL HW214893 2.090 2.137 0.632 -2.2755 0.2983 0.6973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14896 4441SOL OW14894 3.163 3.475 7.227 -0.1631 -0.2078 -0.8116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14897 4441SOL HW114895 3.127 3.519 7.309 -1.0980 -1.6504 -0.4299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14898 4441SOL HW214896 3.111 3.507 7.147 0.3247 0.7006 -0.7879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14899 4442SOL OW14897 2.586 2.701 1.318 -0.6247 -0.1026 -0.2193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14900 4442SOL HW114898 2.642 2.724 1.238 0.1890 1.2251 0.6936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14901 4442SOL HW214899 2.581 2.780 1.379 0.3131 -1.6014 1.9391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14902 4443SOL OW14900 2.744 2.928 0.211 -0.1586 0.5558 0.2716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14903 4443SOL HW114901 2.770 2.895 0.121 -0.7325 -1.5820 0.8236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14904 4443SOL HW214902 2.749 3.028 0.213 1.0290 0.5908 -1.7293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14905 4444SOL OW14903 3.445 3.424 7.184 0.1141 0.0118 0.0226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14906 4444SOL HW114904 3.351 3.458 7.187 0.2061 0.2831 -0.0966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14907 4444SOL HW214905 3.485 3.443 7.094 -0.4896 -2.2134 -0.7786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14908 4445SOL OW14906 2.280 3.050 1.383 0.0808 0.1037 -0.5696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14909 4445SOL HW114907 2.280 3.136 1.332 -0.6537 0.2264 -0.3811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14910 4445SOL HW214908 2.242 2.977 1.327 0.3911 -0.0281 -0.6117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14911 4446SOL OW14909 3.521 3.094 1.371 -0.1996 0.2751 0.0323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14912 4446SOL HW114910 3.592 3.079 1.440 -0.5649 -0.1327 0.3243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14913 4446SOL HW214911 3.465 3.173 1.397 2.2904 2.9280 -1.9640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14914 4447SOL OW14912 2.635 3.137 0.407 -0.1362 -0.2525 -0.0760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14915 4447SOL HW114913 2.551 3.162 0.358 0.0930 -0.1953 -0.4456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14916 4447SOL HW214914 2.614 3.068 0.476 -0.1310 -1.8700 -1.6262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14917 4448SOL OW14915 3.045 2.340 0.937 0.0730 0.0668 0.5056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14918 4448SOL HW114916 3.078 2.267 0.997 0.4146 0.1858 0.4610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14919 4448SOL HW214917 2.945 2.343 0.942 0.0293 -0.6652 0.2001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14920 4449SOL OW14918 2.488 3.452 0.407 -0.4861 -0.5912 -0.3616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14921 4449SOL HW114919 2.414 3.443 0.340 -0.9067 0.3804 -0.0505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14922 4449SOL HW214920 2.450 3.480 0.495 0.1368 -1.1921 0.1142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14923 4450SOL OW14921 3.663 2.257 1.372 -0.0657 0.0068 -0.1421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14924 4450SOL HW114922 3.745 2.302 1.408 2.1856 -3.0217 -1.0482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14925 4450SOL HW214923 3.664 2.261 1.272 -0.6948 -0.6202 -0.1805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14926 4451SOL OW14924 2.122 3.146 0.396 -0.6021 0.6804 -0.0340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14927 4451SOL HW114925 2.062 3.105 0.327 -1.0871 0.6747 0.3866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14928 4451SOL HW214926 2.067 3.202 0.458 -0.0010 1.7719 -0.4412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14929 4452SOL OW14927 1.840 2.865 1.514 0.1664 -0.3809 -0.0130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14930 4452SOL HW114928 1.818 2.878 1.611 -0.0988 0.5793 -0.1865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14931 4452SOL HW214929 1.934 2.833 1.504 0.4545 0.2910 0.5263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14932 4453SOL OW14930 2.682 1.814 1.502 -0.4910 0.1724 0.2620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14933 4453SOL HW114931 2.730 1.849 1.422 -0.9007 0.3491 0.0920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14934 4453SOL HW214932 2.743 1.818 1.582 0.0178 -0.2888 -0.0980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14935 4454SOL OW14933 1.796 2.432 7.211 -0.1449 0.0413 0.0787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14936 4454SOL HW114934 1.718 2.485 7.178 -0.8556 -1.8631 -1.5390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14937 4454SOL HW214935 1.777 2.397 7.302 -1.8982 -1.5841 -0.8430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14938 4455SOL OW14936 3.263 2.506 1.427 0.2841 0.4714 -0.0954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14939 4455SOL HW114937 3.235 2.544 1.338 -2.9518 1.0490 1.0427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14940 4455SOL HW214938 3.326 2.430 1.412 -1.1092 -0.2716 -2.9636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14941 4456SOL OW14939 1.847 1.895 0.072 -0.0639 -0.1502 -0.3343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14942 4456SOL HW114940 1.815 1.977 0.024 -0.5961 -1.0360 -1.5452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14943 4456SOL HW214941 1.890 1.833 0.007 -0.6862 -1.3300 0.3450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14944 4457SOL OW14942 3.022 2.975 7.244 -0.2338 0.1523 -0.5360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14945 4457SOL HW114943 3.013 3.013 7.151 -0.5439 0.0832 -0.5350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14946 4457SOL HW214944 2.999 3.046 7.311 2.2668 0.9398 -0.4252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14947 4458SOL OW14945 2.442 2.351 1.441 0.3430 -0.3316 -0.3820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14948 4458SOL HW114946 2.481 2.425 1.496 -1.2986 0.4182 -0.1557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14949 4458SOL HW214947 2.488 2.348 1.352 2.7124 -1.2564 0.8070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14950 4459SOL OW14948 3.535 3.577 0.631 0.0511 -0.4725 -0.2442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14951 4459SOL HW114949 3.550 3.630 0.715 -1.5284 -0.7217 0.2379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14952 4459SOL HW214950 3.616 3.581 0.574 -0.0188 2.6076 -0.3155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14953 4460SOL OW14951 2.493 2.558 1.653 0.0231 -0.3112 0.1540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14954 4460SOL HW114952 2.574 2.555 1.712 -0.2821 -0.7391 0.5594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14955 4460SOL HW214953 2.414 2.522 1.703 -0.8334 1.8106 0.4125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14956 4461SOL OW14954 3.381 2.855 1.575 0.1840 0.3550 -0.3717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14957 4461SOL HW114955 3.354 2.832 1.668 -0.2013 -0.9273 -0.7747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14958 4461SOL HW214956 3.356 2.950 1.555 0.7321 0.8040 0.9809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14959 4462SOL OW14957 2.128 3.540 1.413 -0.2600 0.4771 -0.0827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14960 4462SOL HW114958 2.071 3.613 1.452 0.1715 1.6975 -1.6438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14961 4462SOL HW214959 2.073 3.484 1.351 -0.2200 0.4565 -0.0997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14962 4463SOL OW14960 3.513 2.614 1.283 -0.3175 -0.4169 -0.2940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14963 4463SOL HW114961 3.573 2.578 1.211 0.7918 -0.0257 0.4005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14964 4463SOL HW214962 3.462 2.692 1.247 -1.2037 -1.3833 -1.1994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14965 4464SOL OW14963 3.121 2.376 0.322 0.4125 -0.1326 0.1416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14966 4464SOL HW114964 3.218 2.356 0.311 -0.2134 -2.4344 -2.3105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14967 4464SOL HW214965 3.088 2.334 0.407 1.6091 1.1775 1.3088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14968 4465SOL OW14966 2.363 2.745 0.702 0.8190 0.2793 0.0097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14969 4465SOL HW114967 2.389 2.717 0.794 -1.6726 1.5889 1.1984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14970 4465SOL HW214968 2.298 2.679 0.664 0.3135 0.7589 0.0207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14971 4466SOL OW14969 3.425 2.299 1.482 -0.4728 0.3015 -0.5043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14972 4466SOL HW114970 3.513 2.306 1.434 0.5020 1.6084 1.3483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14973 4466SOL HW214971 3.407 2.203 1.504 2.4336 0.2299 2.3529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14974 4467SOL OW14972 3.650 2.761 1.475 0.0958 0.1234 -0.0620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14975 4467SOL HW114973 3.586 2.814 1.531 0.5284 0.2394 0.3319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14976 4467SOL HW214974 3.601 2.719 1.399 -0.2126 1.2688 -0.5036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14977 4468SOL OW14975 2.856 3.267 7.120 -0.2277 0.4679 0.2496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14978 4468SOL HW114976 2.904 3.269 7.208 0.6789 1.8428 -0.2493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14979 4468SOL HW214977 2.758 3.250 7.136 0.2239 -1.3688 1.3520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14980 4469SOL OW14978 2.614 3.509 0.967 -0.0970 0.5025 -0.4064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14981 4469SOL HW114979 2.562 3.590 0.992 0.1257 -0.0797 2.3468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14982 4469SOL HW214980 2.712 3.532 0.964 -0.0328 0.3803 0.3847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14983 4470SOL OW14981 2.840 2.853 0.619 -0.6396 0.1541 -0.1966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14984 4470SOL HW114982 2.929 2.895 0.641 1.2140 -1.7563 -3.3169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14985 4470SOL HW214983 2.828 2.771 0.674 0.9787 -1.1459 -1.6603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14986 4471SOL OW14984 2.806 2.804 7.239 -0.3338 -0.2220 0.3548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14987 4471SOL HW114985 2.891 2.857 7.241 0.1671 -0.9811 -0.2369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14988 4471SOL HW214986 2.827 2.709 7.216 -1.5241 -0.0012 -1.9067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14989 4472SOL OW14987 3.654 3.344 0.933 0.0574 -0.2299 0.4242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14990 4472SOL HW114988 3.594 3.340 0.853 -0.3805 2.9764 0.4502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14991 4472SOL HW214989 3.634 3.268 0.994 -1.5986 -1.1481 -1.1733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14992 4473SOL OW14990 2.206 3.091 1.652 0.0376 0.1636 -0.8424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14993 4473SOL HW114991 2.198 3.071 1.555 0.2681 -3.4388 -0.2762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14994 4473SOL HW214992 2.122 3.063 1.699 -0.2148 2.1882 0.0159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14995 4474SOL OW14993 1.894 3.023 0.673 -0.1111 0.0016 0.1958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14996 4474SOL HW114994 1.812 2.995 0.723 -0.8921 0.2373 -0.9096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14997 4474SOL HW214995 1.937 2.943 0.632 -2.4384 0.1901 -3.1083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14998 4475SOL OW14996 2.647 3.164 1.511 -0.4667 0.5236 -0.3162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
14999 4475SOL HW114997 2.661 3.232 1.440 2.0759 1.7375 1.1919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15000 4475SOL HW214998 2.684 3.198 1.597 -0.5425 -2.1557 0.8745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15001 4476SOL OW14999 3.671 2.227 1.089 0.9588 0.2001 0.3655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15002 4476SOL HW115000 3.766 2.259 1.089 1.3251 -0.8508 0.4891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15003 4476SOL HW215001 3.665 2.141 1.038 0.2326 -0.1928 1.0973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15004 4477SOL OW15002 2.303 2.262 0.447 0.2497 0.2254 0.3606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15005 4477SOL HW115003 2.312 2.262 0.347 1.5380 1.4279 0.4355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15006 4477SOL HW215004 2.237 2.193 0.475 0.0652 -0.3174 -1.3075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15007 4478SOL OW15005 3.549 3.142 1.089 0.5465 -0.2551 0.2691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15008 4478SOL HW115006 3.491 3.074 1.044 -2.1734 0.5875 2.2851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15009 4478SOL HW215007 3.558 3.120 1.186 0.3581 1.7331 0.7834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15010 4479SOL OW15008 2.343 2.365 1.135 0.1537 0.3765 -0.0059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15011 4479SOL HW115009 2.394 2.279 1.133 -0.1631 0.2008 -0.8269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15012 4479SOL HW215010 2.302 2.382 1.045 -0.1303 1.1810 0.2651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15013 4480SOL OW15011 2.744 3.516 0.444 -0.2237 0.4896 0.4210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15014 4480SOL HW115012 2.758 3.607 0.405 0.0236 -0.3336 -1.5442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15015 4480SOL HW215013 2.649 3.488 0.429 0.1309 -0.2434 -0.5231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15016 4481SOL OW15014 3.218 2.146 1.015 0.2702 -0.1181 -0.3542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15017 4481SOL HW115015 3.229 2.048 0.999 2.0540 0.0272 -0.2253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15018 4481SOL HW215016 3.199 2.163 1.112 1.1438 -0.2784 -0.1480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15019 4482SOL OW15017 2.961 1.835 1.056 -0.2323 0.4968 -0.5241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15020 4482SOL HW115018 2.914 1.815 0.970 -0.9344 -0.6947 0.1239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15021 4482SOL HW215019 3.046 1.781 1.060 -0.4114 0.2337 -0.2837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15022 4483SOL OW15020 2.285 3.400 0.174 0.2827 -0.3858 -0.1836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15023 4483SOL HW115021 2.293 3.333 0.248 -0.1851 -0.6326 -0.3553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15024 4483SOL HW215022 2.200 3.385 0.125 0.9969 -0.7743 -1.3301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15025 4484SOL OW15023 2.540 3.339 1.326 -0.1324 0.1652 -0.3834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15026 4484SOL HW115024 2.559 3.433 1.357 0.8527 -0.2459 0.2984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15027 4484SOL HW215025 2.599 3.317 1.248 0.1469 -0.1229 -0.0949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15028 4485SOL OW15026 3.013 1.797 0.270 0.1274 0.1478 -0.2685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15029 4485SOL HW115027 3.029 1.864 0.198 0.7018 0.6093 0.2852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15030 4485SOL HW215028 2.983 1.711 0.228 -1.0568 0.8618 -0.9574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15031 4486SOL OW15029 3.115 2.691 0.568 0.5875 -0.1985 -0.0965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15032 4486SOL HW115030 3.039 2.719 0.509 0.6469 -1.3017 -0.7327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15033 4486SOL HW215031 3.092 2.605 0.614 0.9889 0.0701 0.6230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15034 4487SOL OW15032 3.260 2.221 0.752 0.1584 0.8628 -0.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15035 4487SOL HW115033 3.225 2.198 0.843 -0.8240 0.9090 -0.3998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15036 4487SOL HW215034 3.313 2.305 0.758 0.4137 0.6699 0.5488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15037 4488SOL OW15035 1.658 2.830 0.107 0.0317 -0.1903 -0.2250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15038 4488SOL HW115036 1.749 2.817 0.068 -0.4069 1.1274 -1.8222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15039 4488SOL HW215037 1.613 2.906 0.060 -1.8992 -0.8213 0.5231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15040 4489SOL OW15038 2.676 3.719 0.096 -0.5401 0.0367 -0.5373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15041 4489SOL HW115039 2.641 3.626 0.104 -2.2116 0.6597 -0.1445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15042 4489SOL HW215040 2.730 3.741 0.177 0.9184 -0.9878 -1.2022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15043 4490SOL OW15041 2.036 2.625 1.829 -0.0258 -0.5037 0.5225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15044 4490SOL HW115042 1.968 2.551 1.826 -1.0941 0.4654 -0.6544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15045 4490SOL HW215043 2.053 2.658 1.736 0.6982 0.4875 0.9890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15046 4491SOL OW15044 1.980 2.308 2.873 0.2174 -0.0030 0.2484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15047 4491SOL HW115045 2.020 2.252 2.946 -2.0127 -0.9351 0.8322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15048 4491SOL HW215046 1.982 2.404 2.900 1.3686 -0.0893 0.5484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15049 4492SOL OW15047 1.862 2.409 2.464 0.0812 -0.1230 -0.5336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15050 4492SOL HW115048 1.782 2.469 2.475 -0.1919 -0.6314 0.3823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15051 4492SOL HW215049 1.838 2.332 2.406 0.2012 0.2306 -1.0626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15052 4493SOL OW15050 2.244 3.211 3.201 0.4579 0.0112 1.3208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15053 4493SOL HW115051 2.331 3.260 3.191 0.1685 0.7856 2.3955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15054 4493SOL HW215052 2.171 3.263 3.157 0.6747 -1.1638 -0.5277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15055 4494SOL OW15053 3.270 3.254 2.493 -0.1243 -0.3021 -0.0438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15056 4494SOL HW115054 3.215 3.278 2.574 0.0129 -1.3101 0.3644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15057 4494SOL HW215055 3.268 3.330 2.428 -0.7144 0.2991 0.6522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15058 4495SOL OW15056 3.155 2.536 2.574 0.7251 0.2986 -0.1749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15059 4495SOL HW115057 3.179 2.582 2.489 2.8094 0.7955 0.6247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15060 4495SOL HW215058 3.124 2.604 2.641 -1.9350 -0.2019 -0.8040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15061 4496SOL OW15059 3.578 2.178 1.930 0.3011 -0.1647 0.0677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15062 4496SOL HW115060 3.575 2.231 1.845 0.3456 -1.0365 -0.4896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15063 4496SOL HW215061 3.505 2.209 1.991 0.2448 0.4455 -0.3020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15064 4497SOL OW15062 2.339 3.042 2.990 -0.0414 -0.6629 0.1546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15065 4497SOL HW115063 2.314 3.085 3.076 1.7235 -2.7078 1.8019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15066 4497SOL HW215064 2.428 3.078 2.959 0.1542 -1.1655 0.1219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15067 4498SOL OW15065 2.602 3.081 2.666 0.4098 -0.3551 0.3146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15068 4498SOL HW115066 2.603 3.062 2.764 -0.5525 1.1258 0.6355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15069 4498SOL HW215067 2.552 3.165 2.648 0.5802 -0.5831 -1.4629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15070 4499SOL OW15068 2.180 3.377 2.777 -0.0262 0.0617 0.0215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15071 4499SOL HW115069 2.150 3.407 2.687 0.1859 -1.9432 -0.7674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15072 4499SOL HW215070 2.272 3.338 2.771 0.9154 1.8821 1.5471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15073 4500SOL OW15071 2.343 2.354 3.518 0.2602 0.4715 0.5596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15074 4500SOL HW115072 2.305 2.357 3.611 -0.0959 -0.2248 0.4428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15075 4500SOL HW215073 2.285 2.407 3.456 -0.1818 -0.0856 0.4988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15076 4501SOL OW15074 3.323 2.273 2.698 0.7662 0.0909 0.2690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15077 4501SOL HW115075 3.260 2.236 2.629 1.5648 -0.5346 -0.1492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15078 4501SOL HW215076 3.298 2.367 2.721 -0.0316 0.0016 -0.2358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15079 4502SOL OW15077 2.083 3.581 2.128 -0.0162 0.4872 -0.0204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15080 4502SOL HW115078 2.067 3.657 2.191 -0.2859 0.0670 0.4258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15081 4502SOL HW215079 2.091 3.616 2.035 1.6472 1.2694 0.3784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15082 4503SOL OW15080 2.140 3.495 2.401 0.2771 -0.1156 0.4336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15083 4503SOL HW115081 2.148 3.524 2.306 0.9166 -0.6255 0.3262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15084 4503SOL HW215082 2.195 3.555 2.459 -0.8665 0.7877 0.6173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15085 4504SOL OW15083 2.161 3.014 2.614 0.2580 -0.1314 -0.3148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15086 4504SOL HW115084 2.189 2.942 2.677 1.8504 1.2496 0.6162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15087 4504SOL HW215085 2.085 3.065 2.654 0.6102 0.1124 0.0495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15088 4505SOL OW15086 2.408 3.653 3.190 -0.2811 0.0408 -0.4606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15089 4505SOL HW115087 2.361 3.712 3.256 0.0708 0.0121 -0.1833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15090 4505SOL HW215088 2.506 3.665 3.199 -0.1077 -1.8493 0.8044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15091 4506SOL OW15089 2.666 2.687 2.041 0.1023 0.1578 0.3391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15092 4506SOL HW115090 2.650 2.772 1.992 -0.2277 -0.4796 -0.6977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15093 4506SOL HW215091 2.695 2.707 2.135 0.7934 1.4068 -0.1200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15094 4507SOL OW15092 3.523 1.620 3.542 -0.5112 0.1086 0.5058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15095 4507SOL HW115093 3.467 1.615 3.459 -0.1821 -0.4131 0.3103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15096 4507SOL HW215094 3.619 1.614 3.518 -0.4115 -0.0148 0.9275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15097 4508SOL OW15095 1.980 2.633 2.355 0.2331 -0.7260 -0.2651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15098 4508SOL HW115096 1.946 2.551 2.401 -3.5138 0.8391 0.0813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15099 4508SOL HW215097 2.015 2.698 2.423 1.0151 -1.0558 -0.3355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15100 4509SOL OW15098 3.600 3.829 2.119 -0.2698 -0.3665 0.4325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15101 4509SOL HW115099 3.515 3.876 2.143 0.1315 0.7352 -0.2607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15102 4509SOL HW215100 3.650 3.807 2.203 0.2692 1.8554 0.7575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15103 4510SOL OW15101 1.866 3.499 1.886 0.8297 -0.0794 -0.6547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15104 4510SOL HW115102 1.813 3.466 1.965 1.6699 0.0846 -0.0126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15105 4510SOL HW215103 1.804 3.512 1.809 -0.1461 0.4732 0.1892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15106 4511SOL OW15104 3.656 2.780 2.436 0.8414 -0.0434 0.0798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15107 4511SOL HW115105 3.672 2.726 2.354 1.4591 -0.8415 0.7101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15108 4511SOL HW215106 3.731 2.845 2.448 -1.1211 2.8662 -2.0850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15109 4512SOL OW15107 3.565 3.088 2.213 -0.0639 0.2317 -0.3713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15110 4512SOL HW115108 3.637 3.018 2.211 -0.4011 -0.1076 -1.6587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15111 4512SOL HW215109 3.516 3.083 2.300 -0.2609 -1.3453 -0.5381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15112 4513SOL OW15110 1.633 2.541 3.484 -0.1103 0.4855 0.8851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15113 4513SOL HW115111 1.648 2.638 3.469 4.0142 -0.2532 -1.5459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15114 4513SOL HW215112 1.567 2.507 3.416 0.7729 1.1490 -0.3570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15115 4514SOL OW15113 2.483 3.332 2.395 -0.0932 -0.4626 0.4067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15116 4514SOL HW115114 2.433 3.245 2.402 -0.1523 -0.5315 -0.7103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15117 4514SOL HW215115 2.484 3.362 2.300 2.3871 -0.7002 0.3012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15118 4515SOL OW15116 2.515 1.982 2.332 0.0051 0.4034 0.1472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15119 4515SOL HW115117 2.581 2.058 2.337 0.2401 0.4486 -2.3722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15120 4515SOL HW215118 2.491 1.965 2.236 -1.5965 -1.4150 0.8080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15121 4516SOL OW15119 2.132 2.874 3.034 -0.1677 -0.2341 -0.0564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15122 4516SOL HW115120 2.094 2.826 2.955 -0.1260 -0.0492 -0.1891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15123 4516SOL HW215121 2.215 2.923 3.007 -1.2488 1.4933 -0.3872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15124 4517SOL OW15122 3.425 2.882 2.019 -0.7544 0.6656 -0.0717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15125 4517SOL HW115123 3.434 2.782 2.017 0.2566 0.7322 0.1677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15126 4517SOL HW215124 3.495 2.919 2.080 -1.9251 1.4434 0.8122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15127 4518SOL OW15125 1.901 2.190 3.926 -0.4567 0.7097 0.6814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15128 4518SOL HW115126 1.835 2.216 3.996 -0.8133 0.4378 0.4523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15129 4518SOL HW215127 1.939 2.272 3.884 -2.0703 0.9051 -0.5075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15130 4519SOL OW15128 2.406 2.614 2.000 -0.7149 0.0363 -0.0321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15131 4519SOL HW115129 2.503 2.635 2.007 -0.0550 -2.8988 1.2405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15132 4519SOL HW215130 2.363 2.627 2.089 -1.2040 0.0796 -0.2723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15133 4520SOL OW15131 2.966 2.096 2.611 -0.4256 0.6730 0.4606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15134 4520SOL HW115132 2.895 2.036 2.646 -1.0136 2.2598 2.1356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15135 4520SOL HW215133 3.040 2.041 2.573 -3.3316 -1.0733 -3.3372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15136 4521SOL OW15134 3.481 3.548 2.114 -0.7379 0.4951 0.0391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15137 4521SOL HW115135 3.491 3.645 2.093 -1.4536 0.5923 0.0964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15138 4521SOL HW215136 3.459 3.498 2.030 1.3686 0.0954 -0.3150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15139 4522SOL OW15137 2.613 2.246 2.788 -0.5281 -0.0241 0.0422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15140 4522SOL HW115138 2.535 2.308 2.777 -0.5712 0.0370 0.6761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15141 4522SOL HW215139 2.686 2.274 2.726 -0.8714 0.1306 -0.3053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15142 4523SOL OW15140 2.939 2.548 2.186 -0.1313 0.3797 -0.0822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15143 4523SOL HW115141 2.890 2.604 2.253 -0.1743 0.4443 -0.1662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15144 4523SOL HW215142 2.981 2.608 2.118 -2.4269 0.2504 -1.7431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15145 4524SOL OW15143 2.037 2.710 2.795 -0.1387 -0.2957 -0.4013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15146 4524SOL HW115144 2.121 2.748 2.754 0.4345 0.6729 1.5646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15147 4524SOL HW215145 1.959 2.736 2.738 0.7543 -0.1840 -1.6255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15148 4525SOL OW15146 2.004 3.929 3.482 0.5398 0.2841 -0.3630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15149 4525SOL HW115147 1.939 3.857 3.508 0.3622 0.4422 -0.3635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15150 4525SOL HW215148 1.973 3.972 3.397 -0.1108 1.2940 0.3589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15151 4526SOL OW15149 2.738 2.107 1.969 0.0846 0.0837 -0.2221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15152 4526SOL HW115150 2.789 2.175 1.917 -0.9449 0.0040 -1.3770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15153 4526SOL HW215151 2.696 2.041 1.906 1.2646 -1.8036 0.8632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15154 4527SOL OW15152 3.219 3.052 2.253 0.0670 -0.5338 0.1581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15155 4527SOL HW115153 3.300 3.040 2.196 0.7939 1.4829 0.6621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15156 4527SOL HW215154 3.201 3.150 2.264 -0.6409 -0.8698 2.5157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15157 4528SOL OW15155 2.382 1.981 2.706 -0.1911 0.3158 0.5069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15158 4528SOL HW115156 2.387 2.075 2.740 -0.1339 0.4131 0.2289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15159 4528SOL HW215157 2.291 1.964 2.668 0.4256 0.9030 -1.3103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15160 4529SOL OW15158 2.855 3.488 2.183 -0.2894 0.0692 0.4108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15161 4529SOL HW115159 2.829 3.575 2.141 -0.3850 -0.4219 -0.5597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15162 4529SOL HW215160 2.815 3.482 2.275 -1.5662 0.3782 -0.1117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15163 4530SOL OW15161 2.350 3.611 2.702 -0.0836 -0.4089 0.3090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15164 4530SOL HW115162 2.396 3.527 2.729 0.6268 -0.1157 0.0292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15165 4530SOL HW215163 2.373 3.684 2.767 0.8491 0.0482 -0.5034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15166 4531SOL OW15164 2.173 2.829 2.003 -0.2327 -0.2308 0.3011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15167 4531SOL HW115165 2.256 2.870 1.964 -0.3229 -0.9683 -0.7047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15168 4531SOL HW215166 2.134 2.764 1.938 -0.8149 -0.9589 1.3412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15169 4532SOL OW15167 2.966 3.779 2.027 0.3487 -0.1365 0.3648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15170 4532SOL HW115168 2.877 3.745 2.058 0.5680 0.3572 1.6076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15171 4532SOL HW215169 3.030 3.703 2.022 -0.3984 -0.7057 -1.6630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15172 4533SOL OW15170 1.855 2.221 3.323 -0.1011 -0.1480 0.1882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15173 4533SOL HW115171 1.771 2.172 3.302 0.7537 -0.8188 -1.9069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15174 4533SOL HW215172 1.926 2.156 3.349 0.2403 0.2635 0.2935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15175 4534SOL OW15173 3.632 3.239 2.004 -0.1262 -0.4834 0.2178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15176 4534SOL HW115174 3.555 3.291 1.966 0.7069 0.2522 -0.5432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15177 4534SOL HW215175 3.605 3.196 2.090 -1.0217 0.7576 0.5846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15178 4535SOL OW15176 2.574 3.709 1.918 -0.1252 0.2281 -0.3463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15179 4535SOL HW115177 2.488 3.758 1.933 0.6785 1.5437 0.1111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15180 4535SOL HW215178 2.592 3.703 1.820 -0.0639 1.1785 -0.4016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15181 4536SOL OW15179 3.217 1.909 2.236 0.1187 -0.4046 -0.4764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15182 4536SOL HW115180 3.179 1.926 2.145 -1.1805 -1.2917 -0.1231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15183 4536SOL HW215181 3.281 1.832 2.231 -1.1465 -1.4972 -0.3856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15184 4537SOL OW15182 2.107 3.762 2.973 -0.2164 0.0590 -0.0950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15185 4537SOL HW115183 2.131 3.688 3.036 -1.2779 0.7877 1.1902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15186 4537SOL HW215184 2.086 3.722 2.883 1.5208 -0.9657 -0.0889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15187 4538SOL OW15185 2.883 3.308 2.631 -0.0349 0.5559 -0.9307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15188 4538SOL HW115186 2.974 3.344 2.652 -1.1093 1.4912 3.0173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15189 4538SOL HW215187 2.843 3.359 2.555 2.1310 1.0621 -1.8001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15190 4539SOL OW15188 2.250 2.662 2.258 0.1479 -0.1537 0.6395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15191 4539SOL HW115189 2.287 2.603 2.330 0.9846 1.1140 1.2764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15192 4539SOL HW215190 2.154 2.684 2.278 -0.4702 -1.9754 -0.0734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15193 4540SOL OW15191 2.451 1.896 2.064 -0.2812 -0.3351 0.0171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15194 4540SOL HW115192 2.489 1.960 1.997 0.6442 1.5201 2.1664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15195 4540SOL HW215193 2.355 1.917 2.081 -0.6921 -1.2079 -1.1242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15196 4541SOL OW15194 2.800 2.026 3.546 0.4419 -0.0261 0.2685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15197 4541SOL HW115195 2.859 1.952 3.576 -0.5754 -0.5429 1.0835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15198 4541SOL HW215196 2.852 2.111 3.541 1.0598 -0.2839 1.8453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15199 4542SOL OW15197 2.813 2.912 2.939 0.1010 -0.2117 -0.0814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15200 4542SOL HW115198 2.804 2.987 3.005 0.2129 -1.1407 1.0222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15201 4542SOL HW215199 2.843 2.949 2.851 1.7401 0.8496 0.8777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15202 4543SOL OW15200 2.809 2.240 2.973 -0.1925 -0.6249 0.3098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15203 4543SOL HW115201 2.779 2.276 3.061 0.5729 0.4422 0.1531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15204 4543SOL HW215202 2.733 2.243 2.908 0.1895 2.1630 -0.1214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15205 4544SOL OW15203 2.601 3.169 2.949 -0.4296 0.5331 0.8707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15206 4544SOL HW115204 2.658 3.132 3.023 1.6927 -1.3201 -1.5045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15207 4544SOL HW215205 2.654 3.235 2.896 -0.3130 -1.3239 -1.4750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15208 4545SOL OW15206 2.788 2.301 2.595 -0.2310 0.1583 -0.3510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15209 4545SOL HW115207 2.747 2.268 2.509 1.9926 1.1417 -1.8876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15210 4545SOL HW215208 2.860 2.238 2.623 -0.2972 0.3564 0.2670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15211 4546SOL OW15209 2.213 2.015 2.454 -0.3589 0.1356 0.1707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15212 4546SOL HW115210 2.132 2.057 2.496 -1.3579 -0.1535 -1.4130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15213 4546SOL HW215211 2.283 2.086 2.440 -1.0209 0.7574 -0.0787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15214 4547SOL OW15212 3.276 3.025 1.860 -0.1983 0.1239 -0.3021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15215 4547SOL HW115213 3.323 2.970 1.928 -1.4385 -0.3701 0.1876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15216 4547SOL HW215214 3.245 3.111 1.901 -2.6267 -0.9799 0.3706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15217 4548SOL OW15215 2.011 1.971 1.913 -0.6589 -0.0710 -0.4832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15218 4548SOL HW115216 2.049 2.039 1.850 -0.3326 1.4207 1.2687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15219 4548SOL HW215217 2.051 1.983 2.004 -1.3283 -1.9967 0.1105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15220 4549SOL OW15218 2.870 2.054 2.183 -0.1485 0.4747 0.6097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15221 4549SOL HW115219 2.848 2.078 2.088 1.5110 0.9319 0.3087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15222 4549SOL HW215220 2.960 2.090 2.207 -0.2823 -0.1411 2.1876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15223 4550SOL OW15221 3.136 3.361 2.702 0.0889 0.1402 0.0791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15224 4550SOL HW115222 3.119 3.457 2.723 -0.0430 0.0496 0.4019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15225 4550SOL HW215223 3.142 3.309 2.787 1.4057 0.0632 -0.0479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15226 4551SOL OW15224 2.356 3.094 2.430 -0.5082 0.0764 -0.4920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15227 4551SOL HW115225 2.278 3.072 2.488 0.0908 0.5680 0.5194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15228 4551SOL HW215226 2.358 3.032 2.351 0.0290 -2.2427 1.2362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15229 4552SOL OW15227 2.860 2.316 1.855 0.0286 0.1780 0.3404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15230 4552SOL HW115228 2.800 2.389 1.822 -0.0011 0.0156 0.0266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15231 4552SOL HW215229 2.939 2.356 1.900 0.9880 0.4783 -1.4894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15232 4553SOL OW15230 2.297 2.513 3.120 -0.0665 -0.0158 0.2055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15233 4553SOL HW115231 2.356 2.542 3.045 0.2983 1.1162 0.8940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15234 4553SOL HW215232 2.330 2.425 3.157 0.7030 0.2060 0.0587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15235 4554SOL OW15233 2.279 2.028 2.993 -0.2097 -0.9207 0.1162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15236 4554SOL HW115234 2.368 2.036 3.038 0.0400 -0.3694 -0.4676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15237 4554SOL HW215235 2.211 2.078 3.047 0.1025 -0.2082 -0.1347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15238 4555SOL OW15236 2.692 2.190 2.336 0.6114 -0.1451 -0.2161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15239 4555SOL HW115237 2.657 2.269 2.286 -0.3802 -2.0748 -2.8147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15240 4555SOL HW215238 2.752 2.136 2.276 0.7512 -1.7041 1.2349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15241 4556SOL OW15239 2.594 1.869 2.576 0.0309 -0.7448 -0.4194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15242 4556SOL HW115240 2.576 1.918 2.490 -1.2588 -0.4099 0.0152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15243 4556SOL HW215241 2.516 1.881 2.637 0.0667 -2.6240 0.0419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15244 4557SOL OW15242 3.202 2.944 2.520 -0.3909 -0.4166 0.0402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15245 4557SOL HW115243 3.217 3.019 2.584 0.3207 -0.6876 0.1969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15246 4557SOL HW215244 3.192 2.980 2.427 1.1570 -0.2041 -0.0657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15247 4558SOL OW15245 3.184 2.489 2.977 -0.1680 0.3977 0.1148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15248 4558SOL HW115246 3.154 2.395 2.957 -0.1267 1.0849 -3.8983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15249 4558SOL HW215247 3.144 2.552 2.911 0.3869 3.1883 2.2662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15250 4559SOL OW15248 3.666 2.627 2.207 0.3260 0.1517 -0.0239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15251 4559SOL HW115249 3.680 2.528 2.209 0.2012 0.1338 -0.0883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15252 4559SOL HW215250 3.592 2.650 2.145 0.4441 0.2973 -0.1116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15253 4560SOL OW15251 2.318 3.382 1.916 0.1645 0.3187 0.3863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15254 4560SOL HW115252 2.241 3.326 1.943 -0.8869 0.1679 -2.6225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15255 4560SOL HW215253 2.385 3.326 1.866 -0.4147 1.4349 -1.7537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15256 4561SOL OW15254 3.473 3.107 2.454 0.1228 0.1237 -0.9815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15257 4561SOL HW115255 3.492 3.060 2.540 1.4448 1.3837 -0.5347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15258 4561SOL HW215256 3.397 3.171 2.467 -0.4080 -0.4899 -1.0612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15259 4562SOL OW15257 3.263 2.251 1.968 0.1319 0.1635 0.3684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15260 4562SOL HW115258 3.164 2.257 1.986 -0.1235 -3.9760 1.4295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15261 4562SOL HW215259 3.311 2.236 2.055 1.6726 1.6360 -0.1995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15262 4563SOL OW15260 2.300 2.299 2.209 0.2232 0.1836 -0.2190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15263 4563SOL HW115261 2.389 2.338 2.183 -0.1699 0.2881 -1.4735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15264 4563SOL HW215262 2.269 2.236 2.138 0.1392 -1.3030 1.0830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15265 4564SOL OW15263 3.152 2.877 2.904 0.0070 0.5393 -0.3527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15266 4564SOL HW115264 3.247 2.906 2.919 0.0242 -0.0091 0.6547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15267 4564SOL HW215265 3.091 2.931 2.962 -0.0412 -0.8098 0.9082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15268 4565SOL OW15266 2.948 1.912 3.228 0.0360 0.4864 -0.6111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15269 4565SOL HW115267 2.962 1.864 3.141 0.9114 0.1474 -0.2986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15270 4565SOL HW215268 3.037 1.928 3.272 -0.4702 -0.9607 1.0703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15271 4566SOL OW15269 2.731 3.116 2.385 0.0758 -0.0678 0.5778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15272 4566SOL HW115270 2.771 3.042 2.440 0.0619 0.4466 1.2994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15273 4566SOL HW215271 2.658 3.160 2.437 -1.0344 -0.5988 -0.4930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15274 4567SOL OW15272 2.443 2.552 2.895 -0.3462 0.0177 -0.3018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15275 4567SOL HW115273 2.542 2.546 2.907 -0.3725 1.3092 0.7223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15276 4567SOL HW215274 2.422 2.554 2.797 0.6964 0.5424 -0.5311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15277 4568SOL OW15275 3.091 2.241 2.904 0.6255 0.0661 -0.2245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15278 4568SOL HW115276 2.995 2.235 2.930 1.1180 -1.4318 1.4007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15279 4568SOL HW215277 3.121 2.153 2.867 1.7840 -0.0144 0.8566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15280 4569SOL OW15278 1.961 3.476 3.207 -0.2554 0.0614 0.0603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15281 4569SOL HW115279 1.890 3.473 3.136 -0.3776 -0.0491 0.1855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15282 4569SOL HW215280 2.051 3.480 3.163 -0.3594 0.7484 -0.0955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15283 4570SOL OW15281 2.348 2.912 2.232 0.7723 -0.1116 -0.0097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15284 4570SOL HW115282 2.353 2.946 2.138 1.4475 0.9844 0.4056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15285 4570SOL HW215283 2.316 2.817 2.231 0.5824 -0.0575 -1.3256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15286 4571SOL OW15284 2.460 2.556 2.622 0.4220 -0.1790 -0.3075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15287 4571SOL HW115285 2.437 2.653 2.631 2.0476 0.1064 1.2833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15288 4571SOL HW215286 2.386 2.509 2.574 -0.4127 1.8249 -1.1151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15289 4572SOL OW15287 3.098 3.329 2.201 0.0728 -0.0367 -0.0265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15290 4572SOL HW115288 3.173 3.373 2.250 -1.0819 -0.2633 2.0322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15291 4572SOL HW215289 3.015 3.383 2.211 -0.4882 -0.7605 -0.6693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15292 4573SOL OW15290 3.307 2.465 2.265 0.2145 -0.5310 -0.8360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15293 4573SOL HW115291 3.294 2.562 2.283 0.0644 -0.7105 0.0731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15294 4573SOL HW215292 3.233 2.413 2.307 -0.0439 -1.0007 -1.8336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15295 4574SOL OW15293 2.193 3.492 3.051 0.0621 0.4651 0.5110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15296 4574SOL HW115294 2.224 3.493 2.956 -2.5945 0.9116 -0.4324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15297 4574SOL HW215295 2.255 3.548 3.106 -0.0248 2.7802 -1.5757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15298 4575SOL OW15296 2.168 2.491 3.363 -0.1550 -0.1751 -0.2957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15299 4575SOL HW115297 2.191 2.502 3.266 0.1779 1.6667 -0.0494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15300 4575SOL HW215298 2.069 2.489 3.374 -0.2695 1.8944 -0.5230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15301 4576SOL OW15299 3.041 1.860 3.635 0.0119 -0.0689 0.6221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15302 4576SOL HW115300 3.061 1.776 3.686 0.5294 0.2305 0.9250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15303 4576SOL HW215301 3.070 1.939 3.689 1.6748 0.2109 -0.6103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15304 4577SOL OW15302 2.557 1.893 3.590 -0.1070 -0.2823 -0.5314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15305 4577SOL HW115303 2.644 1.932 3.561 0.2180 -0.7122 -0.1495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15306 4577SOL HW215304 2.482 1.953 3.562 0.4173 0.9677 0.6421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15307 4578SOL OW15305 2.814 2.636 2.894 -0.4878 -0.2731 0.0694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15308 4578SOL HW115306 2.839 2.729 2.923 0.4193 -0.5772 0.2801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15309 4578SOL HW215307 2.876 2.605 2.822 -0.7171 -0.7613 0.0770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15310 4579SOL OW15308 3.034 2.323 2.071 -0.5303 -0.0376 -0.1233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15311 4579SOL HW115309 3.091 2.275 2.137 -0.8752 -0.4526 -0.1260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15312 4579SOL HW215310 2.980 2.393 2.119 -1.5573 -1.0296 0.2175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15313 4580SOL OW15311 2.048 2.170 3.103 0.1285 0.1766 -0.1277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15314 4580SOL HW115312 1.970 2.218 3.143 0.5653 0.4240 0.4455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15315 4580SOL HW215313 2.060 2.082 3.148 0.1571 0.1216 -0.2422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15316 4581SOL OW15314 1.997 3.237 2.940 -0.2284 0.2809 0.0742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15317 4581SOL HW115315 1.999 3.206 3.035 0.6863 -0.7979 -0.2832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15318 4581SOL HW215316 2.086 3.274 2.915 -0.7310 1.4119 -0.1062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15319 4582SOL OW15317 2.020 2.081 2.614 0.0101 0.1653 0.5731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15320 4582SOL HW115318 2.076 2.163 2.629 -1.7367 1.1444 2.1216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15321 4582SOL HW215319 1.929 2.095 2.653 -1.4262 -1.3169 -1.9677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15322 4583SOL OW15320 3.442 2.239 2.167 0.1878 -0.0255 -0.3156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15323 4583SOL HW115321 3.456 2.161 2.227 -3.1330 -0.6483 -0.1681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15324 4583SOL HW215322 3.412 2.318 2.220 -0.1114 0.2214 -0.8361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15325 4584SOL OW15323 2.722 2.555 2.545 0.2966 -0.2652 -0.1317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15326 4584SOL HW115324 2.757 2.464 2.566 0.6552 -0.0869 0.0393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15327 4584SOL HW215325 2.624 2.549 2.527 0.3836 -0.7373 -0.4609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15328 4585SOL OW15326 3.464 1.922 2.009 0.1600 0.0735 0.1247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15329 4585SOL HW115327 3.369 1.898 1.991 0.5113 -0.4082 -1.1769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15330 4585SOL HW215328 3.493 1.994 1.946 0.2997 1.1284 1.3559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15331 4586SOL OW15329 3.287 2.523 1.906 0.6133 0.1744 -0.3255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15332 4586SOL HW115330 3.301 2.425 1.920 -1.9327 -0.2240 -0.0512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15333 4586SOL HW215331 3.284 2.543 1.808 1.6625 0.1033 -0.3859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15334 4587SOL OW15332 2.881 3.053 2.717 0.0634 0.3751 -0.5484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15335 4587SOL HW115333 2.893 3.140 2.670 -1.6052 -0.1113 -1.9633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15336 4587SOL HW215334 2.809 3.000 2.673 1.1044 -1.8066 0.1806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15337 4588SOL OW15335 2.302 2.832 2.768 0.3433 0.7514 -0.0899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15338 4588SOL HW115336 2.320 2.878 2.855 -0.3208 1.4178 -0.2948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15339 4588SOL HW215337 2.380 2.845 2.707 0.3537 1.2318 0.0194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15340 4589SOL OW15338 2.279 2.262 2.795 0.4941 0.1028 -0.7259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15341 4589SOL HW115339 2.303 2.199 2.869 0.6789 0.9355 -0.0581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15342 4589SOL HW215340 2.233 2.342 2.834 0.2056 0.3475 -1.5663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15343 4590SOL OW15341 3.211 2.011 3.291 0.3036 0.0337 -0.1442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15344 4590SOL HW115342 3.263 1.941 3.339 2.0204 0.4641 -1.3104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15345 4590SOL HW215343 3.242 2.018 3.196 -0.3229 1.8553 -0.2690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15346 4591SOL OW15344 1.970 3.018 1.823 0.1605 -1.0184 -0.5746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15347 4591SOL HW115345 1.904 3.016 1.748 -1.6714 1.9924 0.7864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15348 4591SOL HW215346 1.930 2.976 1.904 0.3890 -0.3238 -0.0928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15349 4592SOL OW15347 2.074 3.676 2.705 -0.1622 -0.1197 -0.3625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15350 4592SOL HW115348 2.019 3.604 2.662 1.5985 -1.6242 -0.1739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15351 4592SOL HW215349 2.171 3.658 2.690 0.4288 0.7347 2.0019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15352 4593SOL OW15350 2.475 3.352 2.677 -0.1183 0.7499 -0.2833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15353 4593SOL HW115351 2.563 3.386 2.710 -1.0202 1.7949 1.1534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15354 4593SOL HW215352 2.474 3.356 2.577 1.2028 1.3742 -0.3013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15355 4594SOL OW15353 2.035 2.549 3.018 -0.0028 0.1682 -0.7883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15356 4594SOL HW115354 2.045 2.610 2.939 1.2466 0.3269 -0.5386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15357 4594SOL HW215355 2.119 2.552 3.072 -0.9569 0.3049 0.7289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15358 4595SOL OW15356 1.898 2.462 3.435 -0.6126 -0.0756 -0.3720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15359 4595SOL HW115357 1.879 2.376 3.387 -0.6340 -0.6962 0.7327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15360 4595SOL HW215358 1.817 2.522 3.430 -0.9018 -0.4662 -0.4129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15361 4596SOL OW15359 2.617 2.366 2.135 -0.0564 -0.0138 0.2211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15362 4596SOL HW115360 2.593 2.303 2.061 0.1955 0.7937 -0.5655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15363 4596SOL HW215361 2.670 2.443 2.098 0.3437 0.2457 1.2926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15364 4597SOL OW15362 1.944 3.219 3.667 -0.5789 -0.6229 -0.0881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15365 4597SOL HW115363 1.933 3.306 3.715 0.3251 -0.8741 0.6130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15366 4597SOL HW215364 1.904 3.145 3.723 1.2637 -1.0421 0.7667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15367 4598SOL OW15365 2.274 2.485 1.814 -0.4926 0.2283 -0.2377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15368 4598SOL HW115366 2.328 2.532 1.884 0.2598 -0.9411 0.0051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15369 4598SOL HW215367 2.178 2.512 1.822 -0.7287 -1.0579 2.3477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15370 4599SOL OW15368 2.013 2.900 3.257 -0.1479 -0.1006 -0.5786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15371 4599SOL HW115369 2.075 2.871 3.330 -0.1251 1.0750 -0.0961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15372 4599SOL HW215370 2.057 2.890 3.168 0.0420 -1.0040 -0.3860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15373 4600SOL OW15371 3.444 2.614 2.079 -0.1787 0.0930 0.0783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15374 4600SOL HW115372 3.426 2.571 2.168 1.6013 -2.7815 -0.8345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15375 4600SOL HW215373 3.374 2.586 2.014 0.4609 -0.7133 -0.2794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15376 4601SOL OW15374 1.936 3.150 2.668 -0.5457 0.1012 -0.4962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15377 4601SOL HW115375 1.946 3.168 2.766 0.4941 -3.1228 0.1312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15378 4601SOL HW215376 1.839 3.137 2.646 -0.6986 -0.3533 0.3888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15379 4602SOL OW15377 3.481 2.017 2.397 -0.3753 0.1627 0.0506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15380 4602SOL HW115378 3.561 1.975 2.354 -0.0951 0.8371 -0.1066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15381 4602SOL HW215379 3.432 1.948 2.450 0.6393 -0.1450 0.6327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15382 4603SOL OW15380 3.305 3.466 2.305 0.1863 -0.1540 0.0314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15383 4603SOL HW115381 3.372 3.496 2.237 -0.6008 0.3392 -0.5494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15384 4603SOL HW215382 3.248 3.544 2.331 -1.4947 -0.9933 -1.0158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15385 4604SOL OW15383 1.806 3.777 3.637 0.2676 -0.0108 -0.6279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15386 4604SOL HW115384 1.852 3.691 3.616 -1.1251 -0.9508 0.0732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15387 4604SOL HW215385 1.832 3.808 3.728 0.8596 0.3905 -0.9259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15388 4605SOL OW15386 3.216 2.716 2.355 0.1441 -0.2223 -0.2266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15389 4605SOL HW115387 3.214 2.756 2.446 -1.2013 2.8743 -1.4664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15390 4605SOL HW215388 3.204 2.788 2.287 -0.1384 -2.5580 -2.8296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15391 4606SOL OW15389 2.782 3.104 3.138 -0.1460 -0.5449 -0.0519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15392 4606SOL HW115390 2.793 3.197 3.174 -1.1899 -0.1789 -0.6269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15393 4606SOL HW215391 2.848 3.043 3.182 -0.4634 0.1543 1.4531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15394 4607SOL OW15392 2.712 3.339 1.728 -0.4652 0.5985 -0.6524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15395 4607SOL HW115393 2.761 3.331 1.815 -0.1284 -0.5587 -0.9255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15396 4607SOL HW215394 2.613 3.340 1.745 -0.3884 2.7670 -0.1115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15397 4608SOL OW15395 3.395 1.809 2.821 -0.0965 0.0175 0.2879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15398 4608SOL HW115396 3.488 1.787 2.790 0.3322 -0.5333 1.8388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15399 4608SOL HW215397 3.329 1.753 2.771 0.4974 -0.3372 -0.1194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15400 4609SOL OW15398 2.065 2.352 2.621 0.1298 0.0252 0.3396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15401 4609SOL HW115399 1.991 2.396 2.571 0.0449 0.6861 1.0282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15402 4609SOL HW215400 2.033 2.325 2.712 0.0873 -1.7687 -0.1745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15403 4610SOL OW15401 3.119 3.579 1.977 0.5606 0.7161 0.3352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15404 4610SOL HW115402 3.145 3.496 2.025 0.1415 0.8114 0.7350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15405 4610SOL HW215403 3.089 3.557 1.884 -0.3226 0.3286 0.7088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15406 4611SOL OW15404 3.000 2.903 2.153 -0.3701 -0.1224 -0.0190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15407 4611SOL HW115405 3.034 2.830 2.093 0.0916 0.0980 -0.0267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15408 4611SOL HW215406 3.074 2.967 2.172 -0.4160 -0.3908 1.1029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15409 4612SOL OW15407 3.404 3.390 1.903 -0.2994 0.1631 0.4000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15410 4612SOL HW115408 3.307 3.366 1.908 -0.3488 0.5680 2.0671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15411 4612SOL HW215409 3.426 3.423 1.811 -1.6826 -0.1554 -0.0661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15412 4613SOL OW15410 2.301 3.024 3.385 -0.0510 -0.0192 0.0325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15413 4613SOL HW115411 2.272 3.106 3.335 0.3783 1.2104 1.7102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15414 4613SOL HW215412 2.223 2.961 3.394 -0.4856 0.3584 -0.9605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15415 4614SOL OW15413 2.795 2.755 2.293 -0.0972 0.8723 -0.2781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15416 4614SOL HW115414 2.756 2.771 2.384 -0.1404 -2.4741 0.4271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15417 4614SOL HW215415 2.870 2.819 2.277 1.3288 0.2823 3.0549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15418 4615SOL OW15416 2.764 1.961 2.780 -0.0263 0.0617 0.3178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15419 4615SOL HW115417 2.696 1.917 2.721 -0.3526 0.7359 0.1799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15420 4615SOL HW215418 2.725 2.043 2.821 1.2440 1.5068 -1.2207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15421 4616SOL OW15419 2.492 3.414 2.138 0.2730 -0.6439 0.3056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15422 4616SOL HW115420 2.404 3.398 2.094 -1.3435 0.1388 3.0811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15423 4616SOL HW215421 2.545 3.479 2.083 -0.7441 -1.2500 -1.4867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15424 4617SOL OW15422 3.768 2.099 3.240 0.7826 -0.3723 0.0341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15425 4617SOL HW115423 3.728 2.049 3.316 -0.2734 0.2723 -0.0792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15426 4617SOL HW215424 3.696 2.124 3.175 1.0918 2.0395 0.5090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15427 4618SOL OW15425 2.107 3.202 1.970 0.1348 0.3646 -0.0528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15428 4618SOL HW115426 2.053 3.135 1.919 -2.1236 2.3549 -0.4149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15429 4618SOL HW215427 2.089 3.191 2.068 0.3371 0.0086 -0.0506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15430 4619SOL OW15428 2.163 2.780 3.454 0.1269 0.7144 0.0872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15431 4619SOL HW115429 2.116 2.763 3.541 -0.4928 1.5327 -0.0690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15432 4619SOL HW215430 2.187 2.693 3.411 -2.2885 0.1891 -0.3659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15433 4620SOL OW15431 2.731 2.045 3.270 0.3904 -0.2344 -0.4776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15434 4620SOL HW115432 2.816 1.999 3.245 1.6766 1.9407 -0.3303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15435 4620SOL HW215433 2.717 2.037 3.369 0.1160 -1.0655 -0.5778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15436 4621SOL OW15434 2.071 2.167 1.743 0.0417 -0.2896 -0.0987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15437 4621SOL HW115435 1.985 2.218 1.742 -0.3630 -0.9740 -0.9143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15438 4621SOL HW215436 2.137 2.213 1.685 1.0413 1.5399 2.2949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15439 4622SOL OW15437 1.721 2.031 2.031 -0.6198 0.1181 0.5587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15440 4622SOL HW115438 1.743 2.121 1.993 1.1472 -0.0487 1.0910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15441 4622SOL HW215439 1.708 1.966 1.956 -1.5885 0.7214 0.1788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15442 4623SOL OW15440 3.148 3.280 1.930 0.1024 0.1239 0.1493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15443 4623SOL HW115441 3.077 3.284 1.861 -0.2368 0.4203 0.5097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15444 4623SOL HW215442 3.107 3.275 2.021 0.5399 -1.1436 0.2993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15445 4624SOL OW15443 2.244 3.848 3.308 -0.5925 0.0814 -0.0523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15446 4624SOL HW115444 2.270 3.942 3.287 -1.8147 0.0628 -1.9680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15447 4624SOL HW215445 2.196 3.845 3.395 0.6398 0.9888 0.6878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15448 4625SOL OW15446 3.106 2.158 2.259 0.0962 -0.2745 -0.5038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15449 4625SOL HW115447 3.164 2.077 2.255 -0.5268 -0.7353 -0.3142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15450 4625SOL HW215448 3.102 2.192 2.354 -0.1909 -0.4256 -0.4615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15451 4626SOL OW15449 2.459 2.866 2.549 0.4340 0.3085 0.3108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15452 4626SOL HW115450 2.507 2.953 2.545 0.6515 0.1410 -1.3684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15453 4626SOL HW215451 2.423 2.843 2.459 0.4079 -1.3549 0.7051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15454 4627SOL OW15452 2.824 3.306 1.969 0.1236 -0.9100 -0.5314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15455 4627SOL HW115453 2.779 3.227 2.010 -0.4038 -1.0566 -1.3817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15456 4627SOL HW215454 2.821 3.382 2.034 -0.6354 -1.1619 -0.2577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15457 4628SOL OW15455 2.733 3.357 2.846 0.0931 0.0595 -0.1868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15458 4628SOL HW115456 2.763 3.420 2.917 0.9393 0.0731 -0.5311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15459 4628SOL HW215457 2.801 3.356 2.772 -0.4463 -0.4367 -0.6919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15460 4629SOL OW15458 2.754 2.820 2.572 0.0881 -0.4067 -0.2410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15461 4629SOL HW115459 2.752 2.720 2.571 0.3405 -0.4781 1.6483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15462 4629SOL HW215460 2.660 2.855 2.578 0.0505 -0.5976 0.4060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15463 4630SOL OW15461 3.096 2.722 1.985 0.3516 -0.0614 0.0461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15464 4630SOL HW115462 3.031 2.743 1.912 -0.4455 -0.2023 0.7008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15465 4630SOL HW215463 3.174 2.674 1.947 -0.8256 -1.6481 -0.4903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15466 4631SOL OW15464 2.025 2.892 2.419 -0.3493 0.2788 0.4149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15467 4631SOL HW115465 2.068 2.936 2.498 1.7240 -0.7954 -0.0389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15468 4631SOL HW215466 2.033 2.953 2.340 1.1699 -0.2235 0.1407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15469 4632SOL OW15467 3.650 1.930 3.406 0.0109 -0.0580 0.0419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15470 4632SOL HW115468 3.609 1.891 3.488 -2.6575 -3.7498 -2.6961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15471 4632SOL HW215469 3.724 1.871 3.374 0.4856 0.8831 -0.6433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15472 4633SOL OW15470 2.258 2.448 2.454 0.7506 -0.8899 -0.0263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15473 4633SOL HW115471 2.281 2.382 2.382 0.0539 -1.3894 0.1949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15474 4633SOL HW215472 2.183 2.412 2.509 -0.1540 0.4178 -0.3529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15475 4634SOL OW15473 2.425 2.280 3.270 -0.6223 -0.2790 0.1009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15476 4634SOL HW115474 2.390 2.277 3.364 -1.3482 -2.1017 -0.1831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15477 4634SOL HW215475 2.419 2.189 3.230 -1.4148 0.6823 -2.1123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15478 4635SOL OW15476 2.744 3.434 2.438 0.4150 0.1125 -0.3411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15479 4635SOL HW115477 2.739 3.519 2.489 1.3874 0.2276 -0.4168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15480 4635SOL HW215478 2.652 3.403 2.415 0.0223 0.6603 0.4751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15481 4636SOL OW15479 3.125 1.960 2.891 -0.6739 0.1262 -0.7077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15482 4636SOL HW115480 3.178 1.901 2.830 -0.0021 -0.1245 0.0991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15483 4636SOL HW215481 3.037 1.917 2.912 -0.3786 -0.3799 -0.4941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15484 4637SOL OW15482 2.919 1.821 2.967 -0.1801 0.6097 -0.1002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15485 4637SOL HW115483 2.881 1.880 2.896 -0.6364 0.8081 0.2974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15486 4637SOL HW215484 2.856 1.746 2.986 -0.4158 0.9751 0.6074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15487 4638SOL OW15485 2.745 3.073 2.102 -0.5745 0.1509 0.1291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15488 4638SOL HW115486 2.705 3.090 2.192 0.1513 2.3965 0.0910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15489 4638SOL HW215487 2.841 3.045 2.113 -0.4257 0.6244 0.0693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15490 4639SOL OW15488 2.474 3.392 3.156 -0.1386 0.3449 -0.2711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15491 4639SOL HW115489 2.453 3.488 3.141 0.9496 0.8772 1.3781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15492 4639SOL HW215490 2.573 3.379 3.164 -0.1581 -1.1426 -1.7923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15493 4640SOL OW15491 3.207 1.882 1.930 -0.2017 -0.2387 -0.5490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15494 4640SOL HW115492 3.211 1.838 1.840 -1.4424 0.1297 -0.8036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15495 4640SOL HW215493 3.144 1.831 1.989 -0.8295 0.5798 -0.5026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15496 4641SOL OW15494 3.116 2.278 2.504 0.4064 0.2164 0.3150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15497 4641SOL HW115495 3.124 2.373 2.534 1.9642 -0.0731 0.8985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15498 4641SOL HW215496 3.041 2.234 2.553 0.4842 0.7992 0.9717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15499 4642SOL OW15497 3.331 2.079 3.034 -0.0707 0.0071 -0.6027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15500 4642SOL HW115498 3.392 2.003 3.054 -0.7632 -0.1000 1.2817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15501 4642SOL HW215499 3.254 2.047 2.979 -0.1835 -0.5668 -0.1079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15502 4643SOL OW15500 1.921 2.896 2.097 0.0506 -0.4935 0.0556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15503 4643SOL HW115501 2.018 2.875 2.081 -0.4035 -1.6827 -1.3451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15504 4643SOL HW215502 1.871 2.812 2.114 -0.9921 -0.0318 -0.6683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15505 4644SOL OW15503 2.727 3.709 2.128 -0.0047 -0.2412 0.8662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15506 4644SOL HW115504 2.649 3.725 2.067 0.2189 -1.3784 0.2520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15507 4644SOL HW215505 2.700 3.727 2.223 -0.2715 1.8702 0.4536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15508 4645SOL OW15506 1.964 2.396 3.704 -0.3036 0.3296 0.7759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15509 4645SOL HW115507 1.879 2.343 3.705 0.5731 -1.1497 1.8956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15510 4645SOL HW215508 1.980 2.433 3.613 -0.8478 -1.5531 -0.1171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15511 4646SOL OW15509 2.048 2.162 4.589 0.7548 -0.2384 0.1975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15512 4646SOL HW115510 2.094 2.159 4.678 -0.6584 1.2331 1.0292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15513 4646SOL HW215511 1.952 2.134 4.601 0.3037 0.8680 -0.6621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15514 4647SOL OW15512 1.798 2.357 4.417 -0.4120 0.0578 -0.4328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15515 4647SOL HW115513 1.706 2.395 4.410 0.0136 1.3456 0.5717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15516 4647SOL HW215514 1.801 2.268 4.371 -2.2342 -0.1825 -0.1537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15517 4648SOL OW15515 2.685 2.790 5.474 0.1048 0.1263 -0.1381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15518 4648SOL HW115516 2.741 2.775 5.556 -0.0567 0.7958 0.1014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15519 4648SOL HW215517 2.742 2.781 5.393 0.5020 0.4759 0.0919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15520 4649SOL OW15518 2.710 3.170 5.479 -0.0605 0.0468 -0.0021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15521 4649SOL HW115519 2.746 3.134 5.565 0.9050 -0.7132 -0.7010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15522 4649SOL HW215520 2.612 3.183 5.487 -0.0135 -0.1748 1.1573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15523 4650SOL OW15521 2.127 3.028 4.730 0.2518 0.6110 0.3117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15524 4650SOL HW115522 2.041 3.062 4.770 0.1115 2.0844 -1.1556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15525 4650SOL HW215523 2.110 2.995 4.637 1.1226 0.0297 0.3454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15526 4651SOL OW15524 3.402 3.102 5.564 0.1008 -0.4691 -0.1912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15527 4651SOL HW115525 3.355 3.017 5.586 1.2481 -1.2057 -0.4818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15528 4651SOL HW215526 3.460 3.088 5.484 -0.6951 0.9677 -1.0587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15529 4652SOL OW15527 2.131 2.310 5.164 0.1550 -0.0897 -0.4615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15530 4652SOL HW115528 2.074 2.229 5.147 0.6603 -0.5514 0.0343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15531 4652SOL HW215529 2.162 2.310 5.259 3.2015 -1.3055 -1.3419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15532 4653SOL OW15530 3.078 3.272 5.334 -0.1420 -0.4062 0.4536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15533 4653SOL HW115531 3.136 3.329 5.392 0.7466 -2.0743 1.3090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15534 4653SOL HW215532 3.017 3.217 5.391 -1.1588 -0.1398 -0.3518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15535 4654SOL OW15533 2.356 2.786 4.828 -0.3612 -0.3677 -0.3646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15536 4654SOL HW115534 2.271 2.763 4.875 -0.9106 1.2397 -0.4801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15537 4654SOL HW215535 2.427 2.808 4.895 -0.3028 -0.8091 -0.2788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15538 4655SOL OW15536 2.270 3.738 5.198 0.7088 -0.1065 0.1662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15539 4655SOL HW115537 2.176 3.757 5.225 0.6590 1.5324 -0.9968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15540 4655SOL HW215538 2.327 3.726 5.280 -0.0943 1.1108 0.9222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15541 4656SOL OW15539 3.251 2.036 5.183 0.4390 0.0235 0.2920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15542 4656SOL HW115540 3.166 2.088 5.182 0.3857 -0.0505 0.7056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15543 4656SOL HW215541 3.328 2.098 5.167 0.1774 -0.1990 -2.0946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15544 4657SOL OW15542 2.016 2.554 4.387 0.2205 0.3610 0.1990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15545 4657SOL HW115543 1.935 2.495 4.379 0.0866 0.0825 2.7867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15546 4657SOL HW215544 2.010 2.608 4.471 2.4492 0.7858 0.1497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15547 4658SOL OW15545 1.724 3.466 3.764 -0.4026 0.5524 -0.6694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15548 4658SOL HW115546 1.672 3.467 3.679 -1.1952 1.7380 -0.2188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15549 4658SOL HW215547 1.675 3.412 3.832 0.4855 -0.8193 -1.0908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15550 4659SOL OW15548 1.908 2.654 5.234 0.1328 0.1714 -0.1556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15551 4659SOL HW115549 1.909 2.723 5.161 -0.1866 0.3372 -0.0055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15552 4659SOL HW215550 1.883 2.698 5.321 -0.3428 -0.1827 -0.1126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15553 4660SOL OW15551 3.345 3.255 5.056 -0.1591 -0.0956 0.1265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15554 4660SOL HW115552 3.246 3.265 5.056 -0.2770 -1.2025 0.3500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15555 4660SOL HW215553 3.382 3.297 4.973 -0.8524 -0.1018 -0.1951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15556 4661SOL OW15554 2.578 1.905 4.112 -0.4230 -0.1682 0.3630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15557 4661SOL HW115555 2.537 1.943 4.029 -2.0371 -2.3826 0.0492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15558 4661SOL HW215556 2.507 1.896 4.183 0.5773 0.1885 1.4358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15559 4662SOL OW15557 1.864 2.893 5.068 -0.1269 0.1963 0.7427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15560 4662SOL HW115558 1.929 2.878 4.994 -0.3210 -0.1130 0.6318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15561 4662SOL HW215559 1.802 2.968 5.043 0.4644 0.7923 1.0408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15562 4663SOL OW15560 2.887 3.594 5.002 0.1283 -0.2592 0.1957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15563 4663SOL HW115561 2.816 3.647 4.956 -1.0401 -1.3178 0.7472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15564 4663SOL HW215562 2.951 3.657 5.048 -0.9579 0.6885 0.4456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15565 4664SOL OW15563 2.194 2.264 5.474 0.0156 -0.2345 -0.1345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15566 4664SOL HW115564 2.230 2.293 5.563 -1.6801 0.6634 0.2821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15567 4664SOL HW215565 2.101 2.230 5.485 -0.0610 -0.5357 -1.5269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15568 4665SOL OW15566 3.524 3.633 4.206 0.0640 0.1274 -0.2686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15569 4665SOL HW115567 3.615 3.604 4.236 0.6050 1.4147 -0.6405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15570 4665SOL HW215568 3.506 3.596 4.114 -0.4490 -1.4282 0.4138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15571 4666SOL OW15569 3.502 3.542 3.927 -0.1003 1.0463 0.6748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15572 4666SOL HW115570 3.450 3.626 3.914 -0.6323 0.5577 -0.4645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15573 4666SOL HW215571 3.495 3.485 3.845 -0.5100 -0.5204 1.7496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15574 4667SOL OW15572 2.547 2.370 5.096 -0.2591 0.5551 -0.1865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15575 4667SOL HW115573 2.558 2.307 5.173 0.0792 2.9624 1.8599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15576 4667SOL HW215574 2.565 2.321 5.010 2.1224 -1.5939 1.3860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15577 4668SOL OW15575 3.117 2.464 5.433 -0.0548 0.3044 -0.0058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15578 4668SOL HW115576 3.170 2.521 5.495 -1.7697 0.3500 1.4701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15579 4668SOL HW215577 3.124 2.368 5.462 0.4522 0.1047 -0.7483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15580 4669SOL OW15578 2.857 2.777 5.254 -0.3826 0.0331 -0.1797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15581 4669SOL HW115579 2.942 2.764 5.203 -0.5804 2.6304 -1.3417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15582 4669SOL HW215580 2.798 2.698 5.240 2.4618 -2.8166 2.2481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15583 4670SOL OW15581 2.831 2.102 4.972 -0.4291 -0.1465 0.4319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15584 4670SOL HW115582 2.742 2.147 4.967 -1.0044 -1.2415 0.6293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15585 4670SOL HW215583 2.835 2.028 4.904 0.8148 0.7073 -0.4759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15586 4671SOL OW15584 1.943 2.659 4.619 0.6263 -0.1275 -0.0383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15587 4671SOL HW115585 1.986 2.672 4.708 0.1325 -1.0045 0.3406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15588 4671SOL HW215586 1.852 2.700 4.619 -0.1523 -1.7682 0.5216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15589 4672SOL OW15587 1.799 3.834 5.537 0.1929 0.7292 0.3691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15590 4672SOL HW115588 1.789 3.740 5.506 -0.6063 0.6389 0.8642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15591 4672SOL HW215589 1.801 3.896 5.459 0.3797 0.3317 0.0583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15592 4673SOL OW15590 2.678 2.210 3.931 -0.3035 0.0878 0.0137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15593 4673SOL HW115591 2.745 2.275 3.896 1.2272 -0.4016 1.8439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15594 4673SOL HW215592 2.615 2.258 3.993 -0.4048 0.1858 -0.1648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15595 4674SOL OW15593 3.530 2.387 5.453 -0.6605 -0.0390 -0.4599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15596 4674SOL HW115594 3.624 2.364 5.425 -0.9412 -1.0798 -0.6110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15597 4674SOL HW215595 3.478 2.302 5.466 -0.9689 0.4110 1.7788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15598 4675SOL OW15596 2.321 2.006 4.592 0.0213 0.2734 -0.4196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15599 4675SOL HW115597 2.328 2.015 4.692 0.3086 2.0947 -0.5821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15600 4675SOL HW215598 2.364 2.084 4.548 -2.1923 0.7371 -1.9378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15601 4676SOL OW15599 2.162 3.530 4.701 0.2944 -0.3463 0.2389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15602 4676SOL HW115600 2.231 3.460 4.684 1.8886 0.0208 4.1370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15603 4676SOL HW215601 2.198 3.619 4.672 0.7555 -0.3957 0.6430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15604 4677SOL OW15602 3.332 3.534 5.260 0.0303 -0.0021 -0.5560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15605 4677SOL HW115603 3.285 3.459 5.213 -0.7380 0.1452 -0.0403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15606 4677SOL HW215604 3.428 3.536 5.231 -0.2720 -0.3006 -1.6319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15607 4678SOL OW15605 2.425 3.182 5.490 -0.5459 0.3401 -0.1087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15608 4678SOL HW115606 2.441 3.087 5.518 -2.1045 0.3099 0.7881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15609 4678SOL HW215607 2.334 3.211 5.520 0.7285 2.8813 1.6279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15610 4679SOL OW15608 1.951 2.101 5.121 0.3285 -0.4813 0.3886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15611 4679SOL HW115609 1.883 2.113 5.049 0.3036 0.0941 0.5026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15612 4679SOL HW215610 1.925 2.025 5.180 -0.0825 -0.4198 0.2856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15613 4680SOL OW15611 2.035 3.604 4.948 0.5059 0.1329 -0.2707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15614 4680SOL HW115612 2.053 3.702 4.954 -0.0991 0.3108 -1.1114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15615 4680SOL HW215613 2.075 3.568 4.864 1.3602 -0.5064 0.3820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15616 4681SOL OW15614 2.129 2.674 4.167 -0.1524 -0.3453 0.4375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15617 4681SOL HW115615 2.224 2.656 4.195 -0.4311 -1.2647 0.8312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15618 4681SOL HW215616 2.067 2.650 4.242 -0.7328 -0.2567 -0.0063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15619 4682SOL OW15617 3.368 2.132 5.428 -0.7441 0.4415 -0.6350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15620 4682SOL HW115618 3.356 2.129 5.527 1.2965 -0.3104 -0.3538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15621 4682SOL HW215619 3.319 2.056 5.385 -0.8686 0.2179 -0.0972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15622 4683SOL OW15620 2.524 2.014 3.867 0.3884 0.3508 0.1607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15623 4683SOL HW115621 2.579 2.096 3.883 -0.2471 0.9486 -0.6173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15624 4683SOL HW215622 2.533 1.986 3.771 -0.7254 0.5165 -0.0091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15625 4684SOL OW15623 2.627 2.233 5.307 -0.0835 0.6515 -0.4791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15626 4684SOL HW115624 2.709 2.220 5.363 -1.0157 -1.3376 0.4992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15627 4684SOL HW215625 2.591 2.144 5.278 -0.7981 1.5569 -2.5750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15628 4685SOL OW15626 2.815 3.314 4.959 0.2078 0.3141 0.1978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15629 4685SOL HW115627 2.829 3.413 4.950 -1.4789 0.6444 0.8462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15630 4685SOL HW215628 2.892 3.274 5.008 0.4348 1.4814 0.8468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15631 4686SOL OW15629 2.977 2.460 5.218 0.0782 -0.3745 0.1533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15632 4686SOL HW115630 3.023 2.464 5.307 1.7427 -0.8513 -0.6428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15633 4686SOL HW215631 3.007 2.537 5.162 -1.3627 0.2185 0.1527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15634 4687SOL OW15632 2.338 1.912 4.246 -0.4911 0.2713 0.0215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15635 4687SOL HW115633 2.337 1.894 4.345 -0.5802 0.9337 0.1433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15636 4687SOL HW215634 2.324 2.009 4.230 0.6758 0.3510 -0.5985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15637 4688SOL OW15635 2.129 2.052 3.826 0.7448 -0.1680 0.3557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15638 4688SOL HW115636 2.052 2.096 3.873 0.1446 0.5918 -1.2624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15639 4688SOL HW215637 2.128 2.078 3.730 3.1276 -0.0344 0.3234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15640 4689SOL OW15638 2.713 2.552 5.198 0.3511 -0.5234 -0.0017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15641 4689SOL HW115639 2.638 2.510 5.147 1.5895 0.3558 -2.7711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15642 4689SOL HW215640 2.782 2.483 5.219 0.4843 -0.6711 -0.8715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15643 4690SOL OW15641 2.241 3.166 4.459 0.2569 0.7320 -0.0439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15644 4690SOL HW115642 2.242 3.070 4.432 -0.0974 0.8789 -0.5959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15645 4690SOL HW215643 2.166 3.213 4.412 0.1969 1.1973 0.5074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15646 4691SOL OW15644 1.856 2.460 5.051 -0.5381 -0.6989 0.2262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15647 4691SOL HW115645 1.934 2.417 5.007 -0.7919 -0.4739 -0.4503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15648 4691SOL HW215646 1.888 2.516 5.127 0.1440 0.7277 -1.0646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15649 4692SOL OW15647 2.358 1.983 4.896 0.0146 -0.1533 -0.1793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15650 4692SOL HW115648 2.363 1.893 4.940 -1.2856 0.6334 1.6926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15651 4692SOL HW215649 2.272 2.028 4.922 2.3549 3.3244 2.2931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15652 4693SOL OW15650 2.929 1.838 4.379 0.7379 0.2118 -0.0172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15653 4693SOL HW115651 2.956 1.810 4.287 1.5406 -1.0186 0.5558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15654 4693SOL HW215652 2.834 1.813 4.396 1.1803 -1.4392 0.1664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15655 4694SOL OW15653 2.183 3.297 3.917 0.1195 0.2221 0.2319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15656 4694SOL HW115654 2.093 3.341 3.916 -0.0417 -0.0629 1.2691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15657 4694SOL HW215655 2.172 3.199 3.901 0.0803 -0.0559 1.8125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15658 4695SOL OW15656 2.289 2.253 3.984 -0.5265 -0.5979 -0.7387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15659 4695SOL HW115657 2.314 2.166 3.940 0.2967 -0.3097 -0.8649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15660 4695SOL HW215658 2.268 2.321 3.913 -1.9469 -0.8981 -0.6325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15661 4696SOL OW15659 3.541 3.023 5.374 0.4532 0.2665 0.1044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15662 4696SOL HW115660 3.557 2.925 5.375 -0.3156 0.1318 0.3322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15663 4696SOL HW215661 3.605 3.067 5.311 0.9699 -0.3432 0.1912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15664 4697SOL OW15662 3.065 3.154 5.078 0.0130 0.9413 -0.1631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15665 4697SOL HW115663 3.043 3.192 5.168 -1.1810 1.3609 -0.6239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15666 4697SOL HW215664 3.097 3.060 5.089 -1.8567 0.3439 0.5866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15667 4698SOL OW15665 3.350 3.614 5.552 0.3259 0.3346 0.0508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15668 4698SOL HW115666 3.349 3.631 5.454 3.3965 -0.3641 -0.2094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15669 4698SOL HW215667 3.345 3.701 5.601 0.7803 0.8491 -0.8019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15670 4699SOL OW15668 2.683 1.839 5.138 -0.0500 0.0997 -0.0645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15671 4699SOL HW115669 2.723 1.868 5.051 2.8390 -0.6593 0.9183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15672 4699SOL HW215670 2.739 1.873 5.214 -1.0966 -1.3329 1.4169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15673 4700SOL OW15671 2.922 3.027 5.346 0.1519 0.4933 -0.3519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15674 4700SOL HW115672 2.846 3.090 5.336 0.1049 0.4277 -0.4083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15675 4700SOL HW215673 2.892 2.934 5.324 -0.1712 0.2072 1.1602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15676 4701SOL OW15674 2.179 2.650 4.978 0.1596 -0.0344 0.3050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15677 4701SOL HW115675 2.229 2.628 5.061 1.9049 -0.6323 -0.8460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15678 4701SOL HW215676 2.168 2.567 4.923 -0.5946 0.4243 -0.2656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15679 4702SOL OW15677 3.047 2.215 5.129 -0.2360 -0.6887 0.2981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15680 4702SOL HW115678 3.020 2.303 5.169 0.7061 -1.1570 2.0621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15681 4702SOL HW215679 2.968 2.173 5.084 -1.3442 -0.0638 1.5950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15682 4703SOL OW15680 1.973 3.497 5.198 0.2977 -0.0342 0.1715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15683 4703SOL HW115681 1.995 3.528 5.106 1.7750 -2.3557 -0.3277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15684 4703SOL HW215682 2.053 3.507 5.258 0.2079 -0.9884 0.4792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15685 4704SOL OW15683 1.999 2.923 4.191 0.2348 -0.4918 0.1457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15686 4704SOL HW115684 1.947 2.999 4.152 0.1912 0.2335 1.5570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15687 4704SOL HW215685 2.003 2.848 4.125 -0.2913 0.4680 -1.0193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15688 4705SOL OW15686 2.450 2.226 4.491 0.2298 0.1997 0.1384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15689 4705SOL HW115687 2.422 2.183 4.405 2.3350 -1.3459 0.1458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15690 4705SOL HW215688 2.535 2.277 4.476 0.7649 -0.3098 1.3397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15691 4706SOL OW15689 2.425 3.525 5.025 -0.2625 -0.3335 0.2360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15692 4706SOL HW115690 2.340 3.488 4.988 -0.8060 0.8561 0.2518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15693 4706SOL HW215691 2.405 3.604 5.083 0.9446 0.7814 -0.8020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15694 4707SOL OW15692 2.327 2.504 5.403 -0.2539 0.2034 -0.4348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15695 4707SOL HW115693 2.340 2.524 5.306 -1.2599 -1.6851 -1.0243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15696 4707SOL HW215694 2.264 2.427 5.412 -3.1963 2.6196 1.8292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15697 4708SOL OW15695 3.631 2.714 5.308 -0.2179 -0.1755 -0.1812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15698 4708SOL HW115696 3.629 2.614 5.312 -2.3749 -0.2390 -1.3263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15699 4708SOL HW215697 3.691 2.749 5.380 1.9002 -2.3090 -0.7890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15700 4709SOL OW15698 2.827 1.791 5.584 -0.4828 0.1249 -0.0937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15701 4709SOL HW115699 2.822 1.739 5.669 -0.9153 0.5340 0.1408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15702 4709SOL HW215700 2.919 1.784 5.546 -0.0535 0.5507 0.8070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15703 4710SOL OW15701 2.358 1.982 5.478 -0.3285 0.2251 -0.0653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15704 4710SOL HW115702 2.302 1.901 5.462 -0.1361 0.1787 -0.5139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15705 4710SOL HW215703 2.298 2.059 5.503 -0.7654 0.5599 -1.9745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15706 4711SOL OW15704 2.491 2.540 4.832 0.0675 0.0244 0.4173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15707 4711SOL HW115705 2.427 2.613 4.807 -3.1569 -2.6872 0.1058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15708 4711SOL HW215706 2.460 2.496 4.916 0.7685 -2.2064 -0.4384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15709 4712SOL OW15707 2.101 2.073 4.874 -0.2497 -0.2769 0.4171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15710 4712SOL HW115708 2.059 2.104 4.960 -1.8621 2.1347 -1.1179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15711 4712SOL HW215709 2.039 2.009 4.828 -0.7449 0.6802 -0.2742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15712 4713SOL OW15710 1.900 3.237 5.140 -0.2130 0.1564 0.0098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15713 4713SOL HW115711 1.996 3.209 5.139 0.0096 0.8829 -1.7395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15714 4713SOL HW215712 1.894 3.335 5.158 -0.7000 -0.0500 1.0473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15715 4714SOL OW15713 3.539 2.822 5.653 0.2722 0.6018 0.2769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15716 4714SOL HW115714 3.477 2.754 5.614 1.5952 -0.4517 -0.0548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15717 4714SOL HW215715 3.542 2.812 5.752 -1.4995 1.9206 0.5225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15718 4715SOL OW15716 2.037 2.054 4.290 -0.0509 0.8028 -0.9684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15719 4715SOL HW115717 2.071 2.143 4.320 0.9329 0.6296 -1.5329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15720 4715SOL HW215718 2.034 1.991 4.367 -0.6818 1.2904 -0.5806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15721 4716SOL OW15719 2.806 3.435 5.509 -0.0145 -0.5355 -0.3569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15722 4716SOL HW115720 2.768 3.478 5.427 -0.5878 -0.2518 0.0532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15723 4716SOL HW215721 2.788 3.336 5.506 1.2989 -0.7840 -1.2957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15724 4717SOL OW15722 2.444 2.935 5.577 -0.0208 -0.0456 -0.6773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15725 4717SOL HW115723 2.463 2.934 5.675 0.4326 -1.9226 -0.7449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15726 4717SOL HW215724 2.516 2.885 5.528 -2.1429 -2.4914 -1.5445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15727 4718SOL OW15725 2.004 2.812 4.839 0.0973 -0.0547 -0.5777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15728 4718SOL HW115726 2.058 2.881 4.790 0.4765 0.8888 1.0593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15729 4718SOL HW215727 2.065 2.756 4.896 -0.2196 -1.7444 -1.8272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15730 4719SOL OW15728 2.294 2.298 4.744 -0.0100 -0.4386 -0.1311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15731 4719SOL HW115729 2.313 2.234 4.670 3.2935 -1.2508 1.2360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15732 4719SOL HW215730 2.361 2.372 4.743 -0.5279 0.0940 1.4130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15733 4720SOL OW15731 2.868 2.214 5.465 -0.1608 -0.3140 0.3064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15734 4720SOL HW115732 2.963 2.211 5.497 -0.7315 -0.4394 2.1040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15735 4720SOL HW215733 2.823 2.295 5.504 -0.8626 -0.3842 -0.3418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15736 4721SOL OW15734 2.773 1.956 5.364 -1.1220 0.5094 0.5359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15737 4721SOL HW115735 2.778 1.879 5.427 -0.3755 1.2116 1.3511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15738 4721SOL HW215736 2.813 2.037 5.406 -0.4608 0.9629 -0.9026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15739 4722SOL OW15737 1.837 3.116 4.112 0.2155 -0.3384 0.3365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15740 4722SOL HW115738 1.800 3.203 4.146 0.0317 -0.6224 0.8717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15741 4722SOL HW215739 1.777 3.080 4.040 -1.7450 -1.8085 2.5569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15742 4723SOL OW15740 1.974 3.644 4.541 0.0181 0.1151 0.1881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15743 4723SOL HW115741 1.907 3.582 4.500 0.3585 -0.2342 0.1472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15744 4723SOL HW215742 2.035 3.591 4.600 -1.6110 0.8702 2.6829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15745 4724SOL OW15743 2.346 3.344 4.609 0.2915 0.0804 -0.1559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15746 4724SOL HW115744 2.441 3.363 4.585 0.1508 0.6152 -0.3162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15747 4724SOL HW215745 2.308 3.278 4.545 0.6722 -0.4464 0.1554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15748 4725SOL OW15746 2.737 2.660 4.911 -0.3925 -0.7027 0.2408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15749 4725SOL HW115747 2.767 2.632 5.002 -0.2160 0.6730 0.6326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15750 4725SOL HW215748 2.700 2.581 4.862 0.1618 -1.6048 1.2358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15751 4726SOL OW15749 1.835 2.399 4.728 -0.2297 -0.4916 0.1739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15752 4726SOL HW115750 1.834 2.408 4.629 -0.6877 -2.2076 -0.0220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15753 4726SOL HW215751 1.928 2.411 4.762 -0.0956 0.2365 -0.4400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15754 4727SOL OW15752 2.113 2.693 5.491 0.2464 0.1606 -0.0306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15755 4727SOL HW115753 2.178 2.626 5.456 1.0682 0.9231 -0.0028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15756 4727SOL HW215754 2.023 2.650 5.502 1.0364 -1.2889 1.2052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15757 4728SOL OW15755 3.261 2.698 5.295 -0.2635 -0.2828 0.3139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15758 4728SOL HW115756 3.208 2.687 5.211 2.7913 -1.2157 -1.6332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15759 4728SOL HW215757 3.239 2.787 5.336 0.0590 1.4537 -2.9368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15760 4729SOL OW15758 2.526 2.367 4.066 -0.3915 -0.2822 0.1931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15761 4729SOL HW115759 2.427 2.352 4.054 -0.6259 -0.9193 2.5236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15762 4729SOL HW215760 2.541 2.448 4.121 0.3473 -0.8411 0.8334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15763 4730SOL OW15761 3.206 2.475 4.839 -0.3086 -0.5175 0.4059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15764 4730SOL HW115762 3.202 2.375 4.838 -1.1970 -0.5052 0.9245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15765 4730SOL HW215763 3.300 2.506 4.823 -0.2969 -1.3916 -1.3949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15766 4731SOL OW15764 2.155 3.484 5.399 0.3906 0.4634 0.0469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15767 4731SOL HW115765 2.114 3.566 5.440 1.0105 0.6912 0.2202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15768 4731SOL HW215766 2.118 3.403 5.445 -0.1901 0.6443 -0.0926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15769 4732SOL OW15767 2.552 2.174 4.893 -0.1331 0.2069 -0.4852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15770 4732SOL HW115768 2.500 2.089 4.890 2.3413 -1.4789 0.4834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15771 4732SOL HW215769 2.616 2.177 4.816 1.5251 -0.0899 0.8157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15772 4733SOL OW15770 2.720 3.585 5.287 -0.4682 0.1356 0.0974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15773 4733SOL HW115771 2.626 3.591 5.321 -0.7474 0.5538 -0.7188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15774 4733SOL HW215772 2.741 3.666 5.232 -0.7961 -1.4689 -2.5931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15775 4734SOL OW15773 2.235 2.408 3.774 -0.3173 0.2507 -0.1841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15776 4734SOL HW115774 2.260 2.503 3.793 1.5413 -0.3989 0.9216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15777 4734SOL HW215775 2.143 2.405 3.735 -0.1370 2.5491 -0.9875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15778 4735SOL OW15776 2.105 3.010 5.184 0.0584 0.1596 -0.0650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15779 4735SOL HW115777 2.128 2.977 5.275 0.2442 1.8952 0.5528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15780 4735SOL HW215778 2.017 2.973 5.156 0.2833 -0.8746 0.5412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15781 4736SOL OW15779 2.977 2.811 4.878 -0.1762 0.1862 0.5479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15782 4736SOL HW115780 3.016 2.764 4.799 0.7880 3.2285 -0.9138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15783 4736SOL HW215781 2.878 2.819 4.866 -0.2817 -0.9025 0.5617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15784 4737SOL OW15782 1.854 3.045 4.685 0.2013 -0.2430 -0.2262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15785 4737SOL HW115783 1.787 2.979 4.719 0.6250 -0.9445 -0.7192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15786 4737SOL HW215784 1.908 3.003 4.612 1.4214 0.1875 0.3977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15787 4738SOL OW15785 2.428 3.480 5.446 0.0835 0.2382 -0.9001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15788 4738SOL HW115786 2.438 3.389 5.486 -0.0813 0.5896 -0.0492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15789 4738SOL HW215787 2.331 3.499 5.429 0.0942 0.3762 -0.8054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15790 4739SOL OW15788 2.098 3.710 5.530 0.4444 0.2830 0.2785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15791 4739SOL HW115789 2.112 3.665 5.618 1.9064 0.9278 0.4087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15792 4739SOL HW215790 2.031 3.783 5.541 -0.1212 -0.2745 0.6182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15793 4740SOL OW15791 2.626 3.086 5.051 -0.7838 0.3093 -0.0495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15794 4740SOL HW115792 2.551 3.113 5.110 -0.5616 0.1457 0.3077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15795 4740SOL HW215793 2.685 3.165 5.033 -0.6612 0.2789 0.2244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15796 4741SOL OW15794 2.119 2.310 4.378 -0.2165 -0.5809 -0.4462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15797 4741SOL HW115795 2.093 2.406 4.374 2.5273 0.2757 -0.1123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15798 4741SOL HW215796 2.101 2.274 4.470 1.9387 0.7396 0.5911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15799 4742SOL OW15797 2.563 2.827 5.032 0.3883 0.0065 0.5839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15800 4742SOL HW115798 2.640 2.782 4.988 -0.0572 1.0500 -1.3646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15801 4742SOL HW215799 2.591 2.919 5.062 0.3926 -0.3076 1.5936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15802 4743SOL OW15800 3.380 3.430 3.658 0.3180 -0.2286 -0.3266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15803 4743SOL HW115801 3.300 3.482 3.628 0.0170 0.0793 0.9894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15804 4743SOL HW215802 3.378 3.339 3.615 -1.0780 -0.4540 0.1800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15805 4744SOL OW15803 2.280 3.165 5.037 0.2646 -0.1129 -0.6674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15806 4744SOL HW115804 2.352 3.182 5.105 -1.1091 0.7974 0.6283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15807 4744SOL HW215805 2.207 3.111 5.078 0.2614 -1.2043 -2.0285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15808 4745SOL OW15806 3.466 2.211 5.133 0.5510 -0.0389 -0.4277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15809 4745SOL HW115807 3.422 2.295 5.165 2.5247 1.0291 -0.3603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15810 4745SOL HW215808 3.481 2.217 5.035 1.0214 -0.1508 -0.3642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15811 4746SOL OW15809 2.177 2.936 5.438 -0.1063 -0.1696 0.1620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15812 4746SOL HW115810 2.138 2.846 5.460 -0.8654 -0.1571 -1.0713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15813 4746SOL HW215811 2.272 2.939 5.470 -0.6874 -0.6571 2.0915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15814 4747SOL OW15812 2.435 1.937 5.208 -0.5843 -0.2065 -0.0910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15815 4747SOL HW115813 2.533 1.915 5.203 -0.3944 0.4266 0.6456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15816 4747SOL HW215814 2.415 1.979 5.296 -1.7902 -1.5652 0.3161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15817 4748SOL OW15815 1.730 2.252 3.683 -0.5274 -0.4435 -0.1484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15818 4748SOL HW115816 1.683 2.225 3.599 -0.8358 0.1547 -0.1736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15819 4748SOL HW215817 1.674 2.229 3.762 -0.8127 0.1351 -0.1720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15820 4749SOL OW15818 3.088 2.647 5.045 0.1011 -0.1470 -0.0478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15821 4749SOL HW115819 3.039 2.720 4.998 1.1922 0.6585 0.0234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15822 4749SOL HW215820 3.127 2.584 4.978 -0.0333 -0.1252 -0.1461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15823 4750SOL OW15821 1.801 1.958 3.833 -0.3932 -0.1497 -0.5093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15824 4750SOL HW115822 1.709 1.952 3.871 -0.5250 0.0510 -0.8008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15825 4750SOL HW215823 1.834 2.052 3.839 -0.0833 -0.2764 -0.1187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15826 4751SOL OW15824 2.380 2.591 5.144 0.0045 -0.2725 0.3828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15827 4751SOL HW115825 2.435 2.674 5.156 0.0287 -0.3039 0.4928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15828 4751SOL HW215826 2.440 2.513 5.130 0.1221 -0.7283 2.9032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15829 4752SOL OW15827 2.527 2.557 5.564 0.2752 0.2784 0.4050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15830 4752SOL HW115828 2.574 2.636 5.526 -0.0161 -0.2582 -1.1257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15831 4752SOL HW215829 2.452 2.530 5.504 -0.4439 -0.3816 1.5601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15832 4753SOL OW15830 3.316 2.976 5.135 -0.1529 0.5168 0.8891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15833 4753SOL HW115831 3.336 2.988 5.232 0.1615 0.9023 0.7760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15834 4753SOL HW215832 3.334 3.061 5.086 0.6261 0.0404 0.3313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15835 4754SOL OW15833 2.014 3.812 5.207 -0.0873 0.1440 1.2436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15836 4754SOL HW115834 1.984 3.822 5.112 0.8795 3.6689 1.2024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15837 4754SOL HW215835 1.977 3.887 5.262 0.1870 -1.2840 3.4943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15838 4755SOL OW15836 3.672 2.039 5.240 0.0748 0.3762 0.2699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15839 4755SOL HW115837 3.585 2.088 5.229 -1.8637 -2.1289 2.8190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15840 4755SOL HW215838 3.668 1.953 5.189 0.5334 -0.3191 1.3777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15841 4756SOL OW15839 3.664 2.826 5.077 0.1511 -0.6874 0.4822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15842 4756SOL HW115840 3.690 2.916 5.111 -0.9440 -0.1503 -0.0338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15843 4756SOL HW215841 3.644 2.765 5.154 1.1993 -0.5935 0.8387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15844 4757SOL OW15842 2.161 3.234 5.544 -0.6035 -0.3689 0.4028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15845 4757SOL HW115843 2.147 3.147 5.496 -0.5906 -0.1886 0.0717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15846 4757SOL HW215844 2.077 3.260 5.592 -0.6733 -0.4546 0.3276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15847 4758SOL OW15845 2.014 2.903 4.506 -0.1494 -0.0908 0.0617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15848 4758SOL HW115846 1.991 2.807 4.520 0.2325 -0.2268 -0.2427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15849 4758SOL HW215847 2.002 2.928 4.410 1.3086 -0.2718 -0.1985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15850 4759SOL OW15848 2.469 3.223 5.218 0.1754 0.3698 0.2067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15851 4759SOL HW115849 2.419 3.205 5.303 -1.0038 -0.3469 -0.6136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15852 4759SOL HW215850 2.506 3.316 5.221 1.4530 -0.1297 2.1067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15853 4760SOL OW15851 3.457 2.141 4.810 -0.2817 0.3396 -0.1438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15854 4760SOL HW115852 3.468 2.048 4.775 1.5442 0.5210 -0.1377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15855 4760SOL HW215853 3.364 2.174 4.790 -0.7934 -1.2883 -0.5692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15856 4761SOL OW15854 2.307 2.183 4.243 -0.3621 -0.2897 -0.4472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15857 4761SOL HW115855 2.305 2.205 4.146 0.4557 1.1116 -0.1800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15858 4761SOL HW215856 2.238 2.239 4.291 1.2278 1.2692 0.1439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15859 4762SOL OW15857 2.093 2.386 4.902 -1.0161 -0.8630 0.2033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15860 4762SOL HW115858 2.112 2.344 4.991 0.6274 -0.0061 0.2958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15861 4762SOL HW215859 2.158 2.353 4.834 -2.6297 -1.9737 -0.8839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15862 4763SOL OW15860 3.166 2.181 4.873 0.4760 -0.0172 -0.1858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15863 4763SOL HW115861 3.129 2.179 4.966 0.7427 -2.3089 -0.0767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15864 4763SOL HW215862 3.093 2.161 4.808 0.2468 1.7690 -0.5420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15865 4764SOL OW15863 2.757 1.863 4.864 -0.6343 0.2991 -0.4604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15866 4764SOL HW115864 2.736 1.808 4.784 0.1771 -1.8297 0.7111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15867 4764SOL HW215865 2.846 1.836 4.902 -0.9209 1.3308 1.0776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15868 4765SOL OW15866 2.567 3.339 4.885 0.1627 -0.1902 0.5120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15869 4765SOL HW115867 2.525 3.420 4.927 0.8514 0.5958 -0.2683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15870 4765SOL HW215868 2.663 3.335 4.911 0.2857 -0.3963 0.0318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15871 4766SOL OW15869 3.078 2.064 3.842 0.4843 0.0166 -0.4625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15872 4766SOL HW115870 3.013 2.015 3.898 0.8116 -0.3985 -0.4441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15873 4766SOL HW215871 3.142 2.114 3.901 -0.5114 1.3730 -0.4773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15874 4767SOL OW15872 1.819 3.007 3.784 0.1573 -0.3929 -0.1373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15875 4767SOL HW115873 1.785 2.970 3.697 0.7992 0.9919 -1.0109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15876 4767SOL HW215874 1.903 2.958 3.809 -0.6495 -1.5820 0.3272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15877 4768SOL OW15875 2.225 2.623 5.748 0.1953 0.2788 0.1196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15878 4768SOL HW115876 2.177 2.536 5.736 0.6401 -0.1234 1.1837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15879 4768SOL HW215877 2.207 2.681 5.668 -1.4467 -0.1320 0.1461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15880 4769SOL OW15878 2.035 2.088 6.760 -1.0454 0.0048 0.4094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15881 4769SOL HW115879 2.102 2.015 6.745 -1.3124 -0.1562 -0.0127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15882 4769SOL HW215880 1.995 2.115 6.672 -0.2092 1.3728 0.4324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15883 4770SOL OW15881 1.834 2.248 6.193 0.5100 -0.6642 -0.1403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15884 4770SOL HW115882 1.748 2.292 6.219 1.1658 0.9734 -0.5518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15885 4770SOL HW215883 1.909 2.290 6.244 1.3246 -0.3911 -1.5049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15886 4771SOL OW15884 2.252 3.219 6.717 -0.0508 0.4869 0.2251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15887 4771SOL HW115885 2.176 3.186 6.662 -0.5606 0.2462 1.0598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15888 4771SOL HW215886 2.251 3.319 6.720 -0.6349 0.4736 0.6341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15889 4772SOL OW15887 3.313 3.322 6.049 -0.0103 0.5989 0.6308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15890 4772SOL HW115888 3.295 3.225 6.062 0.0001 0.4115 -0.6801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15891 4772SOL HW215889 3.263 3.355 5.969 1.6137 1.1948 -0.1809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15892 4773SOL OW15890 2.906 2.650 6.153 0.0819 0.1795 0.3113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15893 4773SOL HW115891 2.903 2.750 6.153 -2.9755 0.2040 1.8605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15894 4773SOL HW215892 2.885 2.616 6.245 0.5496 -1.9140 -0.3053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15895 4774SOL OW15893 3.581 2.382 5.769 0.1327 0.6934 -0.0342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15896 4774SOL HW115894 3.510 2.431 5.718 -0.0440 1.9835 1.3877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15897 4774SOL HW215895 3.538 2.328 5.841 0.3519 -1.4049 -1.3811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15898 4775SOL OW15896 2.499 3.118 6.772 -0.2877 0.0466 0.3600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15899 4775SOL HW115897 2.426 3.185 6.764 -1.0423 -0.8735 -1.0065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15900 4775SOL HW215898 2.562 3.127 6.695 -0.6795 -1.0986 -0.1245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15901 4776SOL OW15899 2.777 2.531 7.183 -0.5295 -0.3529 0.4266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15902 4776SOL HW115900 2.817 2.455 7.235 0.0624 0.9454 1.9726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15903 4776SOL HW215901 2.810 2.528 7.089 0.5707 -1.2423 0.8182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15904 4777SOL OW15902 2.505 2.779 6.280 0.7113 -0.3727 0.1211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15905 4777SOL HW115903 2.604 2.786 6.292 0.6396 1.5408 -0.0991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15906 4777SOL HW215904 2.462 2.866 6.305 -0.8357 -0.9147 -0.5328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15907 4778SOL OW15905 2.249 3.516 6.694 0.1249 -0.2817 -0.0039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15908 4778SOL HW115906 2.199 3.477 6.617 0.5831 -0.7939 -0.0501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15909 4778SOL HW215907 2.344 3.533 6.666 0.4318 -0.9706 0.6045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15910 4779SOL OW15908 3.309 3.488 6.876 0.1771 -0.2008 0.2271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15911 4779SOL HW115909 3.402 3.500 6.912 -0.7535 0.0520 2.7596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15912 4779SOL HW215910 3.247 3.550 6.924 -1.2737 -0.0809 -1.6916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15913 4780SOL OW15911 2.449 2.269 6.926 -0.1709 -0.3265 -0.1803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15914 4780SOL HW115912 2.518 2.279 6.854 -0.6828 -0.1971 -0.6696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15915 4780SOL HW215913 2.446 2.174 6.957 0.3056 -0.3067 -0.0716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15916 4781SOL OW15914 3.507 2.242 6.299 0.2824 0.1898 -0.1573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15917 4781SOL HW115915 3.484 2.154 6.257 -1.0729 0.2325 0.4386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15918 4781SOL HW215916 3.424 2.282 6.338 1.2103 0.9015 1.1309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15919 4782SOL OW15917 1.989 3.786 5.953 -0.4817 0.1664 0.0124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15920 4782SOL HW115918 1.970 3.847 6.030 1.9832 1.1184 -0.0514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15921 4782SOL HW215919 2.054 3.830 5.891 0.0240 -1.8629 -0.9695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15922 4783SOL OW15920 2.062 3.510 6.005 0.1886 0.2850 0.4308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15923 4783SOL HW115921 2.058 3.607 6.029 0.8261 0.0111 1.7719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15924 4783SOL HW215922 2.007 3.458 6.071 0.6590 -0.3564 0.3239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15925 4784SOL OW15923 2.170 2.942 6.470 -0.7827 0.4258 -0.5481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15926 4784SOL HW115924 2.189 2.845 6.486 -0.8582 0.2573 -1.4325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15927 4784SOL HW215925 2.128 2.982 6.551 1.0439 0.1999 0.5711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15928 4785SOL OW15926 2.310 3.626 7.132 0.1633 0.2721 0.4066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15929 4785SOL HW115927 2.235 3.613 7.197 -1.2898 -0.1423 -1.2954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15930 4785SOL HW215928 2.360 3.709 7.156 -1.7997 1.4272 0.7034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15931 4786SOL OW15929 2.646 2.858 5.841 -0.1156 -0.5728 -0.0953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15932 4786SOL HW115930 2.674 2.787 5.776 -2.3798 -2.3256 0.6986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15933 4786SOL HW215931 2.607 2.815 5.922 -0.1094 1.6023 1.1184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15934 4787SOL OW15932 3.279 2.110 7.234 -0.0559 0.2453 -0.0145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15935 4787SOL HW115933 3.346 2.127 7.162 0.5598 0.8007 0.6680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15936 4787SOL HW215934 3.227 2.194 7.253 1.2269 0.7486 1.5942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15937 4788SOL OW15935 1.967 2.395 6.417 0.4569 -0.3655 0.1984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15938 4788SOL HW115936 2.036 2.391 6.490 -0.3313 -1.2542 0.9142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15939 4788SOL HW215937 1.888 2.447 6.449 1.1161 1.4220 -0.9322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15940 4789SOL OW15938 3.661 3.651 5.812 0.1614 0.0503 0.3839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15941 4789SOL HW115939 3.700 3.620 5.899 -1.0372 0.0278 0.9208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15942 4789SOL HW215940 3.694 3.744 5.793 0.4814 0.0332 0.8195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15943 4790SOL OW15941 2.171 3.545 5.733 -0.6608 0.6719 0.4896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15944 4790SOL HW115942 2.249 3.483 5.721 -0.7042 0.5974 0.5854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15945 4790SOL HW215943 2.141 3.541 5.828 0.2058 1.8659 0.8392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15946 4791SOL OW15944 3.362 2.751 6.212 -0.2907 -0.6055 0.4638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15947 4791SOL HW115945 3.349 2.670 6.154 2.3873 -1.0139 0.3180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15948 4791SOL HW215946 3.428 2.813 6.168 -2.1480 1.6358 0.6463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15949 4792SOL OW15947 3.521 2.840 5.928 -0.1918 -0.1550 0.0801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15950 4792SOL HW115948 3.597 2.777 5.946 -1.2826 -1.5211 0.1138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15951 4792SOL HW215949 3.541 2.928 5.971 1.4989 -0.3691 -0.1816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15952 4793SOL OW15950 2.119 2.627 7.119 -0.0079 -0.6960 -0.3375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15953 4793SOL HW115951 2.180 2.569 7.173 0.7132 0.2733 -0.0696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15954 4793SOL HW215952 2.171 2.672 7.047 -0.0803 1.1625 0.6976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15955 4794SOL OW15953 2.502 3.260 6.296 -0.1039 -0.2204 -0.1157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15956 4794SOL HW115954 2.433 3.188 6.297 -1.0759 0.6756 1.0420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15957 4794SOL HW215955 2.486 3.321 6.218 -0.4374 -0.1910 -0.0247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15958 4795SOL OW15956 3.036 3.088 6.995 0.3386 0.6199 -0.0551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15959 4795SOL HW115957 3.126 3.097 6.953 -0.0349 0.3799 -0.9395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15960 4795SOL HW215958 3.010 3.175 7.038 0.6843 0.9053 -0.4210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15961 4796SOL OW15959 2.634 1.815 5.996 -0.2378 0.2446 0.2173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15962 4796SOL HW115960 2.681 1.903 6.004 -0.2874 0.2363 0.5861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15963 4796SOL HW215961 2.538 1.826 6.020 0.2521 -0.4049 2.7713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15964 4797SOL OW15962 2.092 2.948 6.936 -0.1492 -0.1004 -0.3051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15965 4797SOL HW115963 2.153 2.869 6.935 -1.5872 -1.2567 -0.0671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15966 4797SOL HW215964 2.040 2.951 6.851 -1.0929 -0.2260 0.2535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15967 4798SOL OW15965 3.257 2.792 5.890 -0.1300 0.3857 -0.0503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15968 4798SOL HW115966 3.222 2.728 5.958 2.3738 -0.3968 0.6227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15969 4798SOL HW215967 3.350 2.821 5.916 -0.0894 2.0764 -1.8255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15970 4799SOL OW15968 3.190 3.814 7.087 -0.4670 0.0441 -0.2042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15971 4799SOL HW115969 3.268 3.815 7.023 -0.2645 -0.5320 0.0255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15972 4799SOL HW215970 3.122 3.748 7.055 -0.9330 0.6408 -0.4741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15973 4800SOL OW15971 2.106 2.322 0.121 0.0756 0.0279 -0.3966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15974 4800SOL HW115972 2.108 2.408 0.172 -1.5199 0.0398 -0.2853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15975 4800SOL HW215973 2.095 2.342 0.023 0.9745 -0.0313 -0.5119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15976 4801SOL OW15974 3.465 3.329 6.412 1.0479 -0.2069 -0.0454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15977 4801SOL HW115975 3.411 3.328 6.496 0.0776 0.7985 -0.6405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15978 4801SOL HW215976 3.498 3.237 6.393 0.6631 -0.5843 1.0348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15979 4802SOL OW15977 3.510 3.979 5.818 0.4551 0.6960 1.1999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15980 4802SOL HW115978 3.479 4.011 5.907 0.2411 -1.2123 1.8595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15981 4802SOL HW215979 3.594 3.926 5.829 -0.2794 -0.6875 0.4923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15982 4803SOL OW15980 2.332 2.492 5.964 0.4563 -0.4183 0.4342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15983 4803SOL HW115981 2.286 2.563 5.911 -0.5550 -0.7689 0.8254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15984 4803SOL HW215982 2.269 2.418 5.983 1.3159 -1.1259 0.6049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15985 4804SOL OW15983 3.135 2.216 6.291 0.9030 -0.3964 -0.2989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15986 4804SOL HW115984 3.053 2.259 6.328 0.1180 -0.8526 -1.4316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15987 4804SOL HW215985 3.187 2.173 6.365 0.3119 0.2052 0.4817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15988 4805SOL OW15986 3.410 3.715 5.960 -0.1914 -0.1263 -0.3628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15989 4805SOL HW115987 3.444 3.687 5.871 -2.0568 -0.9905 -0.8548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15990 4805SOL HW215988 3.403 3.635 6.020 0.0483 0.2800 0.2246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15991 4806SOL OW15989 2.603 2.617 6.883 -0.4085 -0.1876 1.3932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15992 4806SOL HW115990 2.574 2.660 6.969 -1.4389 2.4319 -0.1340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15993 4806SOL HW215991 2.524 2.576 6.838 -0.6614 1.6310 0.0694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15994 4807SOL OW15992 3.041 2.752 6.972 0.0430 -0.5569 -0.3517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15995 4807SOL HW115993 2.984 2.682 6.929 1.2525 -0.8592 -1.5028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15996 4807SOL HW215994 3.076 2.815 6.903 -0.4156 0.7688 0.5754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15997 4808SOL OW15995 2.896 2.385 6.703 0.4993 0.0692 -0.5454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15998 4808SOL HW115996 2.801 2.355 6.705 -0.0885 1.8744 1.0376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
15999 4808SOL HW215997 2.910 2.448 6.626 0.1414 0.6152 -0.1663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16000 4809SOL OW15998 2.814 2.538 5.932 -0.3117 -0.7830 -0.1042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16001 4809SOL HW115999 2.852 2.586 6.011 0.8211 -0.0484 -1.0432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16002 4809SOL HW216000 2.730 2.492 5.957 -1.0068 1.0246 1.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16003 4810SOL OW16001 1.916 2.740 6.611 0.8974 0.0776 0.2519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16004 4810SOL HW116002 2.014 2.751 6.595 0.8593 -0.0860 -0.0863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16005 4810SOL HW216003 1.869 2.826 6.589 0.7758 -0.3062 -1.0545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16006 4811SOL OW16004 1.873 3.955 7.081 -0.1458 0.4201 -0.1025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16007 4811SOL HW116005 1.852 4.048 7.051 0.6778 0.3122 -1.0701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16008 4811SOL HW216006 1.790 3.899 7.076 -0.4857 0.9253 -0.1992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16009 4812SOL OW16007 2.680 2.186 5.746 0.3878 0.1914 -0.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16010 4812SOL HW116008 2.697 2.264 5.687 -0.6356 0.1359 -0.5259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16011 4812SOL HW216009 2.659 2.105 5.690 1.1358 -0.2879 0.2607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16012 4813SOL OW16010 3.062 3.018 6.093 0.1109 0.4958 0.1268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16013 4813SOL HW116011 3.098 2.976 6.010 2.1510 1.3839 0.4974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16014 4813SOL HW216012 3.040 3.114 6.074 -2.2234 -0.0340 -0.0977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16015 4814SOL OW16013 2.514 1.953 6.331 0.2109 -0.3523 0.2768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16016 4814SOL HW116014 2.508 2.006 6.415 -1.3622 -1.7085 1.0844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16017 4814SOL HW216015 2.536 1.858 6.353 1.0808 -0.4605 -0.9666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16018 4815SOL OW16016 2.743 3.343 5.989 0.6005 -0.4327 0.6523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16019 4815SOL HW116017 2.791 3.400 5.922 0.2040 -1.2312 -0.3318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16020 4815SOL HW216018 2.684 3.401 6.045 0.9638 0.2490 0.3471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16021 4816SOL OW16019 2.220 3.682 6.358 -0.2667 -0.2755 -0.1732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16022 4816SOL HW116020 2.266 3.634 6.432 -0.2096 0.0234 -0.0105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16023 4816SOL HW216021 2.225 3.781 6.375 0.0257 -0.1881 -0.7328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16024 4817SOL OW16022 3.882 2.801 6.294 0.4701 0.4910 -0.2068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16025 4817SOL HW116023 3.797 2.820 6.343 0.7185 0.9958 0.0424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16026 4817SOL HW216024 3.932 2.728 6.341 0.2888 0.3620 -0.2139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16027 4818SOL OW16025 3.059 3.583 6.995 0.2282 -0.5004 -0.1223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16028 4818SOL HW116026 3.031 3.508 6.935 0.8356 -0.1151 -0.9067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16029 4818SOL HW216027 2.978 3.627 7.034 -0.2656 0.0579 -1.6727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16030 4819SOL OW16028 2.267 2.865 5.889 -0.7776 1.3225 -0.1441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16031 4819SOL HW116029 2.359 2.847 5.925 -0.8787 -2.0507 -1.2176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16032 4819SOL HW216030 2.240 2.790 5.829 -4.0340 2.5424 -0.3799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16033 4820SOL OW16031 3.275 2.782 6.462 0.3564 -0.2950 -0.5753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16034 4820SOL HW116032 3.221 2.697 6.459 0.3266 -0.2641 -0.9435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16035 4820SOL HW216033 3.334 2.787 6.381 -0.5406 0.6235 -1.2010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16036 4821SOL OW16034 2.367 3.068 0.066 0.0845 0.1355 -0.5890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16037 4821SOL HW116035 2.349 2.970 0.062 -1.6857 0.2598 1.6462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16038 4821SOL HW216036 2.282 3.118 0.050 0.8527 1.2962 -1.1804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16039 4822SOL OW16037 2.838 3.760 5.863 -0.8383 0.5717 0.6462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16040 4822SOL HW116038 2.895 3.757 5.945 0.2661 -0.4669 -0.1425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16041 4822SOL HW216039 2.801 3.669 5.844 0.7133 0.2789 -1.2329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16042 4823SOL OW16040 2.114 2.213 6.983 0.2936 -0.0415 0.1154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16043 4823SOL HW116041 2.092 2.176 6.892 -1.5696 1.2440 -0.0071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16044 4823SOL HW216042 2.035 2.262 7.019 1.3519 0.3700 2.0100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16045 4824SOL OW16043 3.609 3.189 5.737 0.3404 -0.1052 -0.7138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16046 4824SOL HW116044 3.572 3.215 5.826 0.8055 0.2437 -0.6165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16047 4824SOL HW216045 3.538 3.147 5.681 0.0998 -0.5185 -0.0951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16048 4825SOL OW16046 2.433 3.787 5.797 -0.9306 -0.0066 0.0498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16049 4825SOL HW116047 2.441 3.803 5.896 -0.2838 -0.2741 0.0490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16050 4825SOL HW216048 2.460 3.692 5.777 -0.1871 0.3053 -0.4791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16051 4826SOL OW16049 3.135 1.914 6.065 0.2593 -0.5775 0.0175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16052 4826SOL HW116050 3.123 1.840 5.999 -4.1502 -1.0503 1.0523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16053 4826SOL HW216051 3.225 1.906 6.108 0.8633 -3.8773 -1.5687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16054 4827SOL OW16052 2.165 3.672 6.902 -0.4232 -0.6456 -0.2187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16055 4827SOL HW116053 2.236 3.659 6.971 -0.5232 0.5720 0.1336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16056 4827SOL HW216054 2.193 3.628 6.817 1.7240 1.4674 -0.7219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16057 4828SOL OW16055 2.785 3.615 6.305 0.6181 -0.4679 -0.1071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16058 4828SOL HW116056 2.846 3.639 6.229 0.4377 -3.1457 -1.1902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16059 4828SOL HW216057 2.694 3.651 6.287 0.3273 -1.8889 -1.6989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16060 4829SOL OW16058 2.060 2.469 6.128 -0.1448 0.0035 -0.1469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16061 4829SOL HW116059 2.084 2.376 6.099 1.7346 -0.1591 1.6597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16062 4829SOL HW216060 2.025 2.467 6.222 -1.0218 1.0377 -0.4319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16063 4830SOL OW16061 2.583 1.960 5.638 -0.1542 0.0217 -0.4157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16064 4830SOL HW116062 2.670 1.920 5.609 0.1599 0.3797 0.0187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16065 4830SOL HW216063 2.519 1.959 5.561 0.4454 0.3591 -0.9299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16066 4831SOL OW16064 2.693 2.086 7.058 0.0524 0.4310 -0.1686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16067 4831SOL HW116065 2.764 2.156 7.066 1.5197 -0.7993 -1.5827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16068 4831SOL HW216066 2.692 2.030 7.141 1.5970 -0.2376 -0.5492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16069 4832SOL OW16067 2.526 3.466 6.790 -0.1370 0.5965 -0.8169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16070 4832SOL HW116068 2.547 3.562 6.771 0.7168 0.3491 -1.1964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16071 4832SOL HW216069 2.539 3.412 6.706 -0.0522 0.0687 -0.4698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16072 4833SOL OW16070 3.327 2.329 6.776 0.0549 0.6413 -0.0178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16073 4833SOL HW116071 3.421 2.320 6.743 -0.7756 -3.3069 -1.9270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16074 4833SOL HW216072 3.291 2.418 6.749 1.5093 0.1256 -4.5955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16075 4834SOL OW16073 2.594 3.307 6.563 -0.5673 0.1503 0.0858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16076 4834SOL HW116074 2.691 3.288 6.546 -0.6398 -0.2956 0.1766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16077 4834SOL HW216075 2.540 3.276 6.485 -0.3410 3.3694 -1.5312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16078 4835SOL OW16076 2.711 2.378 6.336 0.0384 0.0357 -0.5422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16079 4835SOL HW116077 2.644 2.328 6.281 -0.0607 0.7984 -1.1478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16080 4835SOL HW216078 2.775 2.314 6.377 -0.3722 -0.6202 -0.8961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16081 4836SOL OW16079 2.360 1.872 5.964 -0.3639 -0.4152 -0.3213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16082 4836SOL HW116080 2.317 1.905 6.047 0.3976 -2.3029 0.8742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16083 4836SOL HW216081 2.359 1.945 5.895 -2.9743 0.4686 0.5426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16084 4837SOL OW16082 3.130 2.845 5.659 0.1828 -0.3229 -0.2828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16085 4837SOL HW116083 3.190 2.820 5.735 -0.2222 -1.4153 -0.3084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16086 4837SOL HW216084 3.081 2.929 5.682 1.2552 0.2568 -0.0166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16087 4838SOL OW16085 2.114 1.746 5.661 0.0519 -0.0692 0.2399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16088 4838SOL HW116086 2.179 1.703 5.599 2.6358 0.8125 2.1566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16089 4838SOL HW216087 2.139 1.725 5.755 -2.5056 0.3232 1.0811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16090 4839SOL OW16088 2.737 2.058 6.002 0.1938 0.2960 -0.0461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16091 4839SOL HW116089 2.711 2.086 5.910 0.2814 -1.5194 -0.6629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16092 4839SOL HW216090 2.836 2.062 6.013 0.0887 2.1191 0.5578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16093 4840SOL OW16091 2.872 2.547 6.922 0.1509 0.0047 -0.0432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16094 4840SOL HW116092 2.786 2.579 6.882 1.0607 2.1294 -0.4154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16095 4840SOL HW216093 2.899 2.461 6.879 -0.6623 0.4602 -1.5064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16096 4841SOL OW16094 2.976 3.407 6.396 0.2897 -0.3272 -0.1663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16097 4841SOL HW116095 2.905 3.468 6.362 -0.4671 -1.6681 -1.0875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16098 4841SOL HW216096 3.059 3.416 6.340 0.4942 0.4853 0.2608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16099 4842SOL OW16097 2.354 3.008 6.281 0.1525 0.1388 -0.0680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16100 4842SOL HW116098 2.292 3.005 6.360 0.7571 -0.0230 0.4147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16101 4842SOL HW216099 2.303 3.029 6.198 -0.8189 -1.6347 0.0416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16102 4843SOL OW16100 2.790 2.439 5.590 0.0503 0.2492 -0.2749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16103 4843SOL HW116101 2.700 2.443 5.548 0.3363 -0.2701 -0.9817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16104 4843SOL HW216102 2.817 2.529 5.623 -0.7399 0.3937 -0.0278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16105 4844SOL OW16103 1.936 2.489 6.973 -0.2475 0.2688 -0.2992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16106 4844SOL HW116104 2.014 2.551 6.986 -0.9871 1.3758 -0.9596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16107 4844SOL HW216105 1.913 2.446 7.061 1.6900 -0.8388 -0.2796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16108 4845SOL OW16106 2.543 2.051 6.589 -0.5754 -0.0827 -0.2698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16109 4845SOL HW116107 2.601 2.018 6.663 -1.3050 0.0880 0.3980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16110 4845SOL HW216108 2.453 2.075 6.626 -0.5054 1.3429 -0.9684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16111 4846SOL OW16109 2.522 2.189 6.186 -0.2486 0.1108 -0.0382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16112 4846SOL HW116110 2.571 2.203 6.099 -1.7749 -1.0820 -1.1566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16113 4846SOL HW216111 2.506 2.091 6.200 0.9058 0.1854 2.1783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16114 4847SOL OW16112 2.804 1.999 6.284 0.1708 0.3318 -0.4300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16115 4847SOL HW116113 2.793 2.079 6.224 0.1935 1.0603 0.5185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16116 4847SOL HW216114 2.718 1.978 6.329 0.2241 -0.0368 -0.4962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16117 4848SOL OW16115 3.556 3.083 6.393 0.3034 0.3550 0.9708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16118 4848SOL HW116116 3.525 2.997 6.433 0.1220 0.3974 0.9202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16119 4848SOL HW216117 3.650 3.072 6.361 -0.0274 -0.1130 0.1149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16120 4849SOL OW16118 3.125 2.566 6.365 -0.1456 -0.0461 0.4238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16121 4849SOL HW116119 3.143 2.508 6.285 -0.2068 -0.3661 0.6393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16122 4849SOL HW216120 3.027 2.572 6.381 -0.2964 1.8542 -0.8658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16123 4850SOL OW16121 3.799 2.445 5.950 0.9250 -0.2816 0.1155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16124 4850SOL HW116122 3.814 2.379 6.023 2.1445 -0.1773 -0.0248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16125 4850SOL HW216123 3.722 2.416 5.893 1.1174 -1.2995 0.3745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16126 4851SOL OW16124 2.349 3.348 5.813 0.0377 -0.0654 -0.5149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16127 4851SOL HW116125 2.264 3.296 5.821 0.8993 -1.8016 -1.9195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16128 4851SOL HW216126 2.408 3.328 5.891 0.0244 -0.5345 -0.6251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16129 4852SOL OW16127 3.533 3.046 6.115 -0.6116 -0.0473 0.1958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16130 4852SOL HW116128 3.520 3.061 6.213 0.8424 -1.8167 0.6959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16131 4852SOL HW216129 3.570 3.129 6.073 1.2864 -0.0936 1.6617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16132 4853SOL OW16130 3.092 2.246 5.610 -0.0866 0.2324 -0.3816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16133 4853SOL HW116131 3.071 2.313 5.681 0.3526 0.9058 -0.8748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16134 4853SOL HW216132 3.176 2.197 5.635 2.5478 3.3497 -2.3053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16135 4854SOL OW16133 2.369 2.071 5.766 0.1238 -0.1892 -0.3416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16136 4854SOL HW116134 2.443 2.025 5.716 -1.4194 -1.0994 -1.8965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16137 4854SOL HW216135 2.371 2.169 5.745 0.6250 -0.2768 -0.7338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16138 4855SOL OW16136 3.397 3.074 6.991 0.0773 -0.1197 0.2907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16139 4855SOL HW116137 3.450 3.130 7.055 0.0898 -0.0335 0.2066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16140 4855SOL HW216138 3.392 2.980 7.024 0.6692 -0.2318 0.0662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16141 4856SOL OW16139 3.045 3.284 6.646 0.1655 0.1722 0.3537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16142 4856SOL HW116140 2.988 3.307 6.725 -0.8292 -1.2743 0.0903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16143 4856SOL HW216141 3.028 3.348 6.572 0.9088 1.3800 1.1898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16144 4857SOL OW16142 2.720 3.000 6.606 0.0960 0.0964 0.0007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16145 4857SOL HW116143 2.772 3.008 6.691 0.5192 1.1235 -0.3324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16146 4857SOL HW216144 2.747 3.074 6.544 -1.5159 0.4428 -0.3150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16147 4858SOL OW16145 3.447 2.855 6.652 -0.0372 -0.2149 0.0903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16148 4858SOL HW116146 3.478 2.950 6.660 -0.7162 -0.0147 0.4260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16149 4858SOL HW216147 3.365 2.852 6.596 0.7972 -0.7885 -1.1375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16150 4859SOL OW16148 2.913 1.957 6.675 -0.0963 0.1025 0.0187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16151 4859SOL HW116149 2.972 1.877 6.680 -0.3747 -0.2815 -1.9931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16152 4859SOL HW216150 2.969 2.040 6.681 0.3520 -0.2437 0.6563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16153 4860SOL OW16151 2.477 2.712 6.013 0.5525 0.0434 -0.1755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16154 4860SOL HW116152 2.495 2.732 6.109 1.2900 0.5174 -0.4025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16155 4860SOL HW216153 2.440 2.620 6.005 -0.5465 0.3971 0.6607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16156 4861SOL OW16154 2.267 2.733 6.931 -0.2328 -0.6139 0.0728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16157 4861SOL HW116155 2.346 2.779 6.971 -0.6825 -0.7238 1.1076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16158 4861SOL HW216156 2.292 2.640 6.904 -0.4103 -1.2355 1.9346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16159 4862SOL OW16157 3.070 2.196 6.694 -0.1028 -0.3946 0.2843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16160 4862SOL HW116158 3.167 2.219 6.706 0.1236 -0.5197 -1.1695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16161 4862SOL HW216159 3.014 2.277 6.709 0.1350 -0.5169 2.0234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16162 4863SOL OW16160 1.998 3.476 6.972 0.1836 1.1522 -0.1552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16163 4863SOL HW116161 2.041 3.562 6.945 1.4191 -0.1442 -2.7318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16164 4863SOL HW216162 2.066 3.403 6.969 -1.3551 -0.3228 -0.5392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16165 4864SOL OW16163 2.197 3.064 6.063 -0.1164 -0.2610 0.0780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16166 4864SOL HW116164 2.181 3.138 5.996 2.2369 -0.6763 -1.0485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16167 4864SOL HW216165 2.223 2.981 6.014 -0.3077 -1.1417 1.4490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16168 4865SOL OW16166 2.316 2.294 6.311 0.4132 -0.0088 -0.9760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16169 4865SOL HW116167 2.322 2.393 6.306 0.3950 0.0835 0.3605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16170 4865SOL HW216168 2.389 2.253 6.256 0.3375 0.7324 -1.6376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16171 4866SOL OW16169 3.009 3.238 5.969 -0.5579 -0.3324 0.4293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16172 4866SOL HW116170 3.057 3.311 5.921 -1.6961 0.2437 0.1405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16173 4866SOL HW216171 2.921 3.272 6.004 -1.4242 -1.7317 -0.2999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16174 4867SOL OW16172 3.293 3.353 6.629 -0.2646 -0.4974 -0.0479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16175 4867SOL HW116173 3.304 3.416 6.706 -1.2677 1.0277 -1.1089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16176 4867SOL HW216174 3.200 3.317 6.628 -0.1466 -0.8077 -0.3478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16177 4868SOL OW16175 3.312 2.555 6.021 0.0548 -0.3503 0.0463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16178 4868SOL HW116176 3.234 2.501 6.052 0.1943 -0.5620 0.0304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16179 4868SOL HW216177 3.333 2.532 5.926 0.5063 -0.7293 0.2344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16180 4869SOL OW16178 2.166 3.274 7.016 -0.1153 -0.0034 -0.2821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16181 4869SOL HW116179 2.137 3.194 6.964 0.0856 -0.2884 0.0382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16182 4869SOL HW216180 2.265 3.287 7.003 0.0729 -0.4857 0.5628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16183 4870SOL OW16181 2.363 2.590 7.246 0.3547 0.0703 -0.1988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16184 4870SOL HW116182 2.396 2.677 7.210 1.0238 -0.0564 0.0899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16185 4870SOL HW216183 2.434 2.521 7.237 0.1114 -0.2520 0.2799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16186 4871SOL OW16184 3.417 2.687 7.143 -0.0794 -0.3347 0.5239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16187 4871SOL HW116185 3.371 2.775 7.150 -0.0686 -0.2858 0.0501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16188 4871SOL HW216186 3.435 2.666 7.046 1.6028 0.0242 0.7187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16189 4872SOL OW16187 2.464 2.831 6.637 -0.3762 -0.0033 -0.3032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16190 4872SOL HW116188 2.511 2.917 6.618 -1.7699 0.7098 -0.6827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16191 4872SOL HW216189 2.409 2.841 6.720 0.1808 -0.8456 0.1856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16192 4873SOL OW16190 3.082 2.777 6.689 -0.0443 0.1605 0.1706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16193 4873SOL HW116191 2.990 2.747 6.662 0.7813 0.2424 -3.2168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16194 4873SOL HW216192 3.093 2.874 6.669 1.1270 -0.1107 -0.6103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16195 4874SOL OW16193 3.048 2.429 5.788 -0.0284 0.7679 -0.4911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16196 4874SOL HW116194 3.076 2.420 5.883 -1.2270 1.8973 0.0020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16197 4874SOL HW216195 2.950 2.450 5.784 0.1175 1.2754 -1.9451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16198 4875SOL OW16196 2.248 1.960 6.640 -0.6922 -0.3395 0.3512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16199 4875SOL HW116197 2.321 1.925 6.698 0.6543 -0.0703 -1.1090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16200 4875SOL HW216198 2.223 1.891 6.572 -0.9426 0.0167 0.0742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16201 4876SOL OW16199 1.892 3.191 6.845 -0.3459 0.0732 0.1132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16202 4876SOL HW116200 1.914 3.157 6.936 1.7586 -0.7701 -0.6561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16203 4876SOL HW216201 1.865 3.287 6.850 -1.6492 -0.3370 1.7563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16204 4877SOL OW16202 2.503 2.555 6.587 0.0220 0.2150 -0.3804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16205 4877SOL HW116203 2.520 2.525 6.494 -1.0763 -1.1837 -0.1729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16206 4877SOL HW216204 2.482 2.653 6.588 0.8922 0.4310 -1.4611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16207 4878SOL OW16205 2.262 1.942 6.223 0.3853 -0.1876 -0.3203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16208 4878SOL HW116206 2.196 2.009 6.257 2.0969 1.3837 0.0789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16209 4878SOL HW216207 2.353 1.966 6.256 1.2122 -2.1719 -1.0154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16210 4879SOL OW16208 3.436 2.277 5.979 0.5095 -0.2110 -0.1923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16211 4879SOL HW116209 3.389 2.196 6.015 -3.1110 0.7852 -2.1540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16212 4879SOL HW216210 3.419 2.354 6.039 -0.5649 0.1669 -0.9415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16213 4880SOL OW16211 2.859 2.579 6.409 -0.1063 -0.0636 -0.5973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16214 4880SOL HW116212 2.811 2.653 6.455 0.8904 0.0706 0.2626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16215 4880SOL HW216213 2.793 2.508 6.383 -1.3817 1.8935 -3.1368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16216 4881SOL OW16214 3.608 3.185 7.108 -0.7999 1.2332 -0.5782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16217 4881SOL HW116215 3.666 3.233 7.173 -1.4450 -2.4358 3.1193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16218 4881SOL HW216216 3.665 3.131 7.046 -0.1649 1.2775 -0.0425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16219 4882SOL OW16217 3.335 2.138 5.706 -0.3396 0.4944 0.4102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16220 4882SOL HW116218 3.298 2.046 5.719 -0.0238 0.0356 -1.5909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16221 4882SOL HW216219 3.409 2.154 5.771 0.4568 -1.1757 -0.0200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16222 4883SOL OW16220 3.361 2.613 5.516 0.2251 0.3955 0.2843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16223 4883SOL HW116221 3.418 2.536 5.490 0.4628 0.3501 0.9120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16224 4883SOL HW216222 3.345 2.672 5.437 2.9487 1.5846 0.5050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16225 4884SOL OW16223 2.796 3.208 6.426 -0.0308 0.0188 0.1705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16226 4884SOL HW116224 2.727 3.212 6.354 -1.6951 3.7587 1.6693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16227 4884SOL HW216225 2.866 3.278 6.409 0.9803 -0.7838 0.8990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16228 4885SOL OW16226 2.174 2.669 6.517 0.1579 0.3485 0.6737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16229 4885SOL HW116227 2.157 2.606 6.593 1.5152 0.8452 1.4202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16230 4885SOL HW216228 2.190 2.615 6.434 3.2984 -0.4976 1.6902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16231 4886SOL OW16229 2.314 2.219 6.580 -0.0635 0.9217 -0.3468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16232 4886SOL HW116230 2.267 2.131 6.580 -1.7804 1.7802 -1.4856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16233 4886SOL HW216231 2.343 2.241 6.487 0.3990 1.5292 -0.0636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16234 4887SOL OW16232 2.999 1.962 7.061 0.4242 0.6894 0.7509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16235 4887SOL HW116233 2.982 2.057 7.035 -0.3799 0.4836 0.5007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16236 4887SOL HW216234 2.956 1.901 6.995 0.5295 0.1555 1.1713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16237 4888SOL OW16235 1.933 3.258 5.689 0.3755 0.1357 0.4305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16238 4888SOL HW116236 1.850 3.308 5.664 -0.3587 -1.4749 -0.4766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16239 4888SOL HW216237 1.918 3.160 5.676 1.5188 -0.4457 2.8581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16240 4889SOL OW16238 1.900 3.742 6.324 0.0684 -0.1421 0.2893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16241 4889SOL HW116239 1.906 3.814 6.254 0.9837 0.3159 0.8229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16242 4889SOL HW216240 1.992 3.713 6.351 -0.2346 0.2925 1.9028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16243 4890SOL OW16241 2.462 3.577 6.518 -0.3999 0.0965 0.2185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16244 4890SOL HW116242 2.477 3.652 6.454 -0.0642 -1.5475 -1.7371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16245 4890SOL HW216243 2.547 3.525 6.529 -1.1223 -1.2323 -0.1678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16246 4891SOL OW16244 2.790 2.705 6.647 0.7095 -0.7529 0.0456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16247 4891SOL HW116245 2.707 2.651 6.663 0.9295 -1.2763 -0.5455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16248 4891SOL HW216246 2.774 2.799 6.675 0.1673 -1.0199 0.6647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16249 4892SOL OW16247 2.115 2.405 6.636 -0.0922 0.0340 -0.1492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16250 4892SOL HW116248 2.191 2.340 6.646 -0.4207 -0.2729 0.3802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16251 4892SOL HW216249 2.032 2.367 6.677 -0.1956 0.9573 0.5318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16252 4893SOL OW16250 2.601 2.359 5.943 0.3037 0.5162 0.4009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16253 4893SOL HW116251 2.631 2.295 5.873 -0.2077 -0.7460 1.2934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16254 4893SOL HW216252 2.502 2.369 5.939 0.3235 0.8210 0.6258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16255 4894SOL OW16253 3.353 2.411 6.485 -0.3371 -0.5356 -0.4599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16256 4894SOL HW116254 3.265 2.456 6.466 -0.1731 -0.4723 -1.0801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16257 4894SOL HW216255 3.336 2.319 6.520 -0.6610 -0.3214 -0.0525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16258 4895SOL OW16256 2.106 3.626 0.066 0.0735 1.1046 0.4315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16259 4895SOL HW116257 2.049 3.544 0.072 -3.5223 3.3267 0.2494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16260 4895SOL HW216258 2.180 3.621 0.133 -0.3527 -1.9622 0.8231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16261 4896SOL OW16259 2.621 2.307 6.681 -0.1010 0.1486 -0.0541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16262 4896SOL HW116260 2.577 2.228 6.639 -0.5039 0.3950 -0.0962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16263 4896SOL HW216261 2.570 2.390 6.659 0.6503 0.4967 -0.4831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16264 4897SOL OW16262 2.885 3.404 6.869 -0.0036 -0.6339 0.2936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16265 4897SOL HW116263 2.866 3.352 6.952 -0.0836 -1.8483 -0.4574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16266 4897SOL HW216264 2.799 3.422 6.821 0.1300 -0.7689 0.0006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16267 4898SOL OW16265 2.362 2.339 5.719 0.4904 0.2448 -0.3070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16268 4898SOL HW116266 2.340 2.397 5.798 0.9018 -0.3442 0.2568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16269 4898SOL HW216267 2.434 2.383 5.665 0.9465 0.1714 0.2299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16270 4899SOL OW16268 1.899 3.056 7.073 -0.2083 -0.3170 -0.2678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16271 4899SOL HW116269 1.899 3.038 7.171 0.8216 -0.8177 -0.3467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16272 4899SOL HW216270 1.973 3.003 7.029 -2.3433 -2.2906 -1.7218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16273 4900SOL OW16271 3.134 3.032 6.645 -0.0278 -0.7612 -0.1121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16274 4900SOL HW116272 3.110 3.128 6.630 2.7898 -0.0592 -0.6134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16275 4900SOL HW216273 3.150 2.988 6.556 0.9081 -1.0460 0.1856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16276 4901SOL OW16274 3.315 2.498 5.744 0.0775 -0.5832 -0.6284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16277 4901SOL HW116275 3.223 2.458 5.743 -0.0872 -0.2221 -0.3823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16278 4901SOL HW216276 3.328 2.554 5.662 -0.7000 1.0492 0.2973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16279 4902SOL OW16277 3.630 3.332 6.741 -0.1137 0.1477 -0.0393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16280 4902SOL HW116278 3.653 3.388 6.661 -0.5250 1.2240 0.5772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16281 4902SOL HW216279 3.545 3.284 6.725 -0.8284 1.2929 0.1769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16282 4903SOL OW16280 3.175 3.467 6.241 0.3468 0.1602 0.4999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16283 4903SOL HW116281 3.245 3.415 6.192 1.2748 -0.3824 2.3430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16284 4903SOL HW216282 3.125 3.525 6.176 1.4738 -0.5846 -1.0771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16285 4904SOL OW16283 2.019 3.034 6.651 -0.5654 0.2420 0.3800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16286 4904SOL HW116284 1.997 3.098 6.725 0.3432 0.4747 0.4655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16287 4904SOL HW216285 1.935 3.000 6.610 -1.1033 -0.0950 1.7053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16288 4905SOL OW16286 3.471 2.014 6.152 -0.1336 0.3400 0.1826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16289 4905SOL HW116287 3.551 1.992 6.096 -0.5410 -0.7551 0.0173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16290 4905SOL HW216288 3.446 1.935 6.208 -0.9696 0.7430 0.4001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16291 4906SOL OW16289 3.171 3.431 5.842 0.0834 -0.3739 -0.7430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16292 4906SOL HW116290 3.240 3.421 5.771 1.4913 0.9260 0.3801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16293 4906SOL HW216291 3.126 3.519 5.832 0.6620 0.0479 0.2722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16294 4907SOL OW16292 3.059 2.927 6.343 -0.1540 0.0435 -0.4851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16295 4907SOL HW116293 3.140 2.884 6.382 -0.4721 -0.3900 -0.2935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16296 4907SOL HW216294 3.079 2.957 6.250 -0.5735 -2.5959 -1.5256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16297 4908SOL OW16295 2.611 3.000 7.006 0.3363 0.0549 -0.0581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16298 4908SOL HW116296 2.637 3.054 7.086 2.3797 0.1379 -0.7055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16299 4908SOL HW216297 2.576 3.061 6.935 1.0663 0.3492 -0.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16300 4909SOL OW16298 2.526 3.509 5.709 -0.4634 -0.3302 0.0317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16301 4909SOL HW116299 2.529 3.512 5.609 1.4247 -2.2943 -0.0484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16302 4909SOL HW216300 2.474 3.430 5.739 1.1586 -1.2690 0.5000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16303 4910SOL OW16301 3.582 3.503 6.986 0.0981 0.0896 -0.6918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16304 4910SOL HW116302 3.645 3.442 6.939 -0.8791 -1.2017 -0.3873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16305 4910SOL HW216303 3.633 3.579 7.027 1.2322 -0.0226 -1.8322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16306 4911SOL OW16304 3.580 2.019 6.593 -0.2211 -0.1539 -0.3493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16307 4911SOL HW116305 3.597 1.938 6.538 0.5297 -0.2627 0.0326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16308 4911SOL HW216306 3.611 2.100 6.543 0.0167 -0.2091 -0.2953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16309 4912SOL OW16307 2.102 2.114 6.319 0.1449 -0.3466 0.0361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16310 4912SOL HW116308 2.009 2.140 6.345 0.4893 0.7030 0.2789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16311 4912SOL HW216309 2.163 2.192 6.332 0.7582 -0.4813 -1.7988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16312 4913SOL OW16310 3.028 3.600 5.473 -0.0483 -0.3917 -0.1302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16313 4913SOL HW116311 3.053 3.616 5.378 -1.2710 1.5798 -0.1660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16314 4913SOL HW216312 2.945 3.545 5.477 0.6524 -1.4848 -0.1429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16315 4914SOL OW16313 2.831 2.933 6.857 0.7037 1.0279 0.4812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16316 4914SOL HW116314 2.905 2.961 6.918 1.4752 -0.9198 0.4996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16317 4914SOL HW216315 2.749 2.913 6.910 0.7375 1.3437 0.6549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16318 4915SOL OW16316 2.830 2.693 5.698 0.2468 -0.6142 0.3828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16319 4915SOL HW116317 2.926 2.719 5.688 0.2645 -0.2615 1.2858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16320 4915SOL HW216318 2.819 2.638 5.781 -0.2557 -1.0953 0.0074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16321 4916SOL OW16319 3.383 3.368 5.676 0.2010 -0.0355 -0.3185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16322 4916SOL HW116320 3.407 3.289 5.619 0.5748 0.3713 -0.7375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16323 4916SOL HW216321 3.372 3.449 5.617 -3.3912 -0.3931 -0.3598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16324 4917SOL OW16322 2.067 3.316 0.014 -0.8671 0.2806 0.4792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16325 4917SOL HW116323 2.114 3.313 -0.074 2.0562 0.0260 1.9191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16326 4917SOL HW216324 1.991 3.251 0.014 -2.8103 2.2716 -2.7067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16327 4918SOL OW16325 3.449 3.125 6.722 -0.6069 -0.2190 0.2177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16328 4918SOL HW116326 3.423 3.092 6.813 -3.3346 1.5657 0.2046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16329 4918SOL HW216327 3.382 3.193 6.691 0.3156 -0.6507 -3.0829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16330 4919SOL OW16328 2.784 3.005 6.083 -0.1709 -0.2670 0.1459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16331 4919SOL HW116329 2.776 2.969 6.176 -0.2416 -0.0248 0.2336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16332 4919SOL HW216330 2.880 3.025 6.063 -0.3780 1.7794 0.9664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16333 4920SOL OW16331 2.904 2.232 6.467 0.1600 0.8623 -0.2513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16334 4920SOL HW116332 2.898 2.146 6.416 3.3102 1.4798 -1.9271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16335 4920SOL HW216333 2.917 2.213 6.564 2.5698 -0.6923 -0.8075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16336 4921SOL OW16334 2.306 3.488 6.190 -0.1465 0.6585 0.8568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16337 4921SOL HW116335 2.246 3.488 6.111 -1.6065 -0.6878 1.9018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16338 4921SOL HW216336 2.275 3.558 6.255 0.2148 0.8403 0.8354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16339 4922SOL OW16337 3.478 2.167 7.076 0.1665 -0.3475 -0.4369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16340 4922SOL HW116338 3.489 2.261 7.044 -0.4473 -0.4119 -0.8511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16341 4922SOL HW216339 3.483 2.104 6.999 -1.0747 -0.5224 -0.4007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16342 4923SOL OW16340 2.100 3.253 5.893 -0.2594 -0.2818 -0.1664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16343 4923SOL HW116341 2.036 3.229 5.820 0.6415 3.1411 -2.3135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16344 4923SOL HW216342 2.074 3.341 5.933 1.0717 -0.5795 1.5167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16345 4924SOL OW16343 1.901 3.093 0.094 -0.0905 -0.2335 0.3321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16346 4924SOL HW116344 1.807 3.116 0.118 -0.1582 0.0339 -0.1757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16347 4924SOL HW216345 1.935 3.022 0.156 -0.8515 -0.8267 0.0823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16348 4925SOL OW16346 2.685 1.949 6.819 0.3093 0.4406 0.1711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16349 4925SOL HW116347 2.776 1.948 6.779 -0.7592 1.5868 -2.5857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16350 4925SOL HW216348 2.688 1.992 6.909 2.2960 1.7721 -0.4772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16351 4926SOL OW16349 1.960 2.144 5.474 0.4425 0.0235 -0.4187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16352 4926SOL HW116350 1.976 2.073 5.406 0.8690 -1.6822 1.3735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16353 4926SOL HW216351 1.862 2.163 5.481 0.2053 -1.2313 -0.1239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16354 4927SOL OW16352 3.266 2.587 6.746 0.9235 -0.1656 -0.0347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16355 4927SOL HW116353 3.195 2.655 6.732 -0.6228 -1.2896 1.7615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16356 4927SOL HW216354 3.342 2.628 6.796 0.5597 0.5454 -0.0551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16357 4928SOL OW16355 2.093 2.010 5.754 0.0714 -0.0697 0.1184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16358 4928SOL HW116356 2.096 1.927 5.699 0.2560 -1.2074 1.7674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16359 4928SOL HW216357 2.186 2.047 5.762 0.3711 -0.9781 1.1712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16360 4929SOL OW16358 3.006 3.058 5.754 0.0001 0.0606 0.0792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16361 4929SOL HW116359 2.907 3.062 5.766 -0.0562 2.4586 -0.6939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16362 4929SOL HW216360 3.049 3.137 5.800 1.6248 -1.2142 0.8615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16363 4930SOL OW16361 2.530 2.776 7.124 -0.5575 -0.1186 0.2657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16364 4930SOL HW116362 2.553 2.862 7.077 -0.6075 -0.9829 -1.4324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16365 4930SOL HW216363 2.610 2.742 7.173 0.0447 -0.0788 -0.6744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16366 4931SOL OW16364 3.323 3.758 6.219 0.2820 0.2123 0.3872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16367 4931SOL HW116365 3.227 3.754 6.192 0.7541 1.8683 -1.8792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16368 4931SOL HW216366 3.347 3.852 6.243 1.5130 0.0028 0.0844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16369 4932SOL OW16367 2.523 2.378 7.172 -0.1261 -0.1010 -0.3971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16370 4932SOL HW116368 2.612 2.423 7.167 -0.7529 1.2369 -0.0909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16371 4932SOL HW216369 2.499 2.339 7.083 1.7735 -2.5651 0.0763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16372 4933SOL OW16370 1.859 3.836 0.162 0.4904 0.3446 -0.1490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16373 4933SOL HW116371 1.778 3.853 0.106 0.4007 -0.1985 -0.1958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16374 4933SOL HW216372 1.929 3.792 0.106 -0.3937 -2.2292 0.6289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16375 4934SOL OW16373 3.519 2.603 6.585 -0.1602 0.1396 -0.4202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16376 4934SOL HW116374 3.449 2.548 6.540 0.2966 0.2193 -1.2560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16377 4934SOL HW216375 3.480 2.691 6.612 0.0921 1.0666 -2.8123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16378 4935SOL OW16376 3.000 2.145 6.020 -0.2353 0.8394 1.1114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16379 4935SOL HW116377 3.038 2.053 6.029 -0.1251 0.8368 0.6694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16380 4935SOL HW216378 3.069 2.212 6.047 0.3879 0.8702 -0.4361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16381 4936SOL OW16379 2.315 2.565 6.278 -0.2096 0.1853 -0.2965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16382 4936SOL HW116380 2.371 2.646 6.296 -2.7366 1.3620 3.2838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16383 4936SOL HW216381 2.238 2.590 6.219 -1.2144 0.5785 1.1349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16384 4937SOL OW16382 3.526 2.699 6.872 0.3280 -0.3634 0.1212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16385 4937SOL HW116383 3.500 2.766 6.802 1.6631 -0.3724 -0.4051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16386 4937SOL HW216384 3.623 2.708 6.893 0.3358 -1.5579 0.6957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16387 4938SOL OW16385 2.729 3.121 5.767 -0.0954 -0.0995 0.3655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16388 4938SOL HW116386 2.701 3.031 5.801 2.4032 -1.1671 -0.1683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16389 4938SOL HW216387 2.717 3.189 5.839 -0.9129 -1.0874 1.1862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16390 4939SOL OW16388 2.489 3.805 6.376 -0.2331 0.3473 0.1605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16391 4939SOL HW116389 2.521 3.865 6.449 -0.8894 0.6465 0.2066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16392 4939SOL HW216390 2.525 3.837 6.289 0.3291 0.1483 0.3142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16393 4940SOL OW16391 2.774 2.885 6.320 0.2377 0.1484 0.0184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16394 4940SOL HW116392 2.872 2.892 6.339 0.4425 0.1180 -1.0159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16395 4940SOL HW216393 2.725 2.956 6.371 1.0536 1.7720 -1.3638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16396 4941SOL OW16394 3.159 2.912 5.397 0.2892 -0.3203 0.0252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16397 4941SOL HW116395 3.075 2.962 5.372 1.0281 0.0817 -1.8740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16398 4941SOL HW216396 3.153 2.882 5.492 -1.5366 0.6431 0.2679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16399 4942SOL OW16397 3.516 3.525 6.243 -0.5095 0.3725 -0.3427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16400 4942SOL HW116398 3.453 3.597 6.271 -0.4332 0.5421 -0.5988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16401 4942SOL HW216399 3.507 3.446 6.304 -0.9437 0.4080 -0.3602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16402 4943SOL OW16400 2.014 3.109 6.248 0.0905 0.1046 -0.0923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16403 4943SOL HW116401 2.037 3.038 6.315 0.8479 0.5089 0.0891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16404 4943SOL HW216402 2.063 3.090 6.163 1.7059 1.3441 0.5116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16405 4944SOL OW16403 2.577 3.199 7.206 0.1603 -0.5190 -0.3422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16406 4944SOL HW116404 2.521 3.155 7.276 1.5267 2.7435 3.1183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16407 4944SOL HW216405 2.519 3.246 7.140 -1.1632 -0.7254 0.6475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16408 4945SOL OW16406 3.503 1.944 6.881 -0.3390 0.2444 -0.3240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16409 4945SOL HW116407 3.563 1.878 6.925 0.1318 1.2359 0.5713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16410 4945SOL HW216408 3.532 1.958 6.786 0.1169 -0.1513 -0.2458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16411 4946SOL OW16409 2.113 2.227 6.014 0.2943 -0.0089 -0.2671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16412 4946SOL HW116410 2.050 2.221 5.936 -0.6626 0.6909 0.4227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16413 4946SOL HW216411 2.101 2.147 6.072 0.9385 -0.4830 -0.7698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16414 4947SOL OW16412 3.697 2.797 6.470 -0.1980 -0.3214 -0.1536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16415 4947SOL HW116413 3.640 2.716 6.485 -2.8343 1.5191 0.5376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16416 4947SOL HW216414 3.724 2.834 6.559 0.4333 -0.0577 -0.4532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16417 4948SOL OW16415 2.301 2.485 6.841 0.4735 -0.4918 0.0486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16418 4948SOL HW116416 2.348 2.400 6.866 1.4984 -0.5109 -1.7863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16419 4948SOL HW216417 2.237 2.467 6.766 0.0408 0.1858 0.2490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16420 4949SOL OW16418 2.554 3.567 6.110 -0.1651 -0.5496 -0.6565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16421 4949SOL HW116419 2.559 3.660 6.074 1.0203 -0.3906 -0.0979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16422 4949SOL HW216420 2.460 3.549 6.141 -0.6636 0.0793 -1.7312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16423 4950SOL OW16421 3.309 2.136 6.534 -0.2073 -0.3943 0.1760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16424 4950SOL HW116422 3.392 2.096 6.572 -0.2541 -0.2239 0.4581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16425 4950SOL HW216423 3.239 2.066 6.526 -0.7198 -0.1269 1.8808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16426 4951SOL OW16424 3.181 1.882 6.461 -0.2802 -0.5012 -0.3615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16427 4951SOL HW116425 3.127 1.847 6.386 -1.0284 1.2647 -0.6970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16428 4951SOL HW216426 3.151 1.840 6.547 0.0685 -1.9576 -0.9280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16429 4952SOL OW16427 2.504 3.183 6.006 0.8211 0.3245 -0.8041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16430 4952SOL HW116428 2.522 3.089 6.033 0.0764 -0.1822 -1.9809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16431 4952SOL HW216429 2.589 3.235 6.005 1.1675 -0.1907 0.3377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16432 4953SOL OW16430 2.437 3.376 7.035 0.1904 0.5032 -0.1046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16433 4953SOL HW116431 2.401 3.456 7.084 -0.5567 1.0255 -1.4287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16434 4953SOL HW216432 2.472 3.406 6.946 0.1078 -0.6277 -0.5235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16435 4954SOL OW16433 3.123 1.750 5.880 -0.1562 -0.0830 -0.5725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16436 4954SOL HW116434 3.195 1.683 5.863 -0.2412 0.1146 -1.7968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16437 4954SOL HW216435 3.036 1.715 5.846 -0.2843 0.4493 -0.8043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16438 4955SOL OW16436 3.090 2.424 6.106 -0.2217 -0.1827 -0.1277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16439 4955SOL HW116437 3.027 2.499 6.125 -0.4373 -0.0907 -1.1496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16440 4955SOL HW216438 3.084 2.355 6.178 -1.0601 0.1011 0.0754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16441 4956SOL OW16439 3.674 2.269 6.531 0.3245 0.1380 -0.1105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16442 4956SOL HW116440 3.657 2.312 6.620 0.3749 0.8777 -0.4616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16443 4956SOL HW216441 3.619 2.313 6.461 -0.2012 -0.8597 -0.3562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16444 4957SOL OW16442 1.979 2.907 5.884 -0.1387 0.2723 -0.7499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16445 4957SOL HW116443 2.076 2.925 5.869 0.0492 1.1417 1.1678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16446 4957SOL HW216444 1.966 2.811 5.908 -0.0123 -0.2685 -2.7437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16447 4958SOL OW16445 2.803 3.493 5.776 0.0895 0.2811 0.1885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16448 4958SOL HW116446 2.851 3.477 5.689 0.4373 -0.0733 0.4414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16449 4958SOL HW216447 2.705 3.503 5.758 0.3547 2.0273 -0.4584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16450 4959SOL OW16448 2.162 4.399 7.192 0.1082 0.1019 -0.1752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16451 4959SOL HW116449 2.103 4.435 7.264 0.8973 0.5570 0.2622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16452 4959SOL HW216450 2.109 4.384 7.109 -0.8545 -0.6045 0.5484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16453 4960SOL OW16451 2.049 3.938 1.053 -0.4978 -0.4405 0.0556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16454 4960SOL HW116452 2.127 3.901 1.103 -0.5252 1.3036 1.4692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16455 4960SOL HW216453 1.965 3.891 1.082 -0.3635 -0.2014 0.8535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16456 4961SOL OW16454 1.864 4.022 0.617 -0.0295 -0.5802 -0.1327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16457 4961SOL HW116455 1.809 3.970 0.683 -1.6054 -1.2397 -1.8888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16458 4961SOL HW216456 1.829 4.007 0.525 0.8554 1.8842 -0.9539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16459 4962SOL OW16457 2.334 4.873 1.006 0.2845 0.6509 0.0473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16460 4962SOL HW116458 2.242 4.847 1.036 0.2841 0.9073 0.2677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16461 4962SOL HW216459 2.350 4.970 1.025 0.4965 0.6772 -0.2528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16462 4963SOL OW16460 3.554 5.129 0.642 -0.6312 0.1595 -0.2947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16463 4963SOL HW116461 3.543 5.064 0.717 1.4001 0.6533 0.4681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16464 4963SOL HW216462 3.496 5.209 0.658 -0.6394 0.0096 0.4401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16465 4964SOL OW16463 2.790 4.407 0.689 0.1421 -0.1717 0.0102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16466 4964SOL HW116464 2.765 4.500 0.714 -1.5970 -0.6782 0.2729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16467 4964SOL HW216465 2.867 4.377 0.746 0.5466 0.9868 0.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16468 4965SOL OW16466 3.480 4.025 7.187 -0.1195 0.0243 0.5308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16469 4965SOL HW116467 3.411 4.043 7.117 -0.9565 1.1486 1.5942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16470 4965SOL HW216468 3.436 4.017 7.276 1.0148 -0.4059 1.0749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16471 4966SOL OW16469 2.616 4.812 1.000 -0.3971 0.0044 0.1343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16472 4966SOL HW116470 2.517 4.810 0.986 -0.2806 1.2334 -1.1248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16473 4966SOL HW216471 2.648 4.906 1.000 0.9748 -0.4057 -1.2021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16474 4967SOL OW16472 2.680 4.664 0.735 -0.3006 -0.0356 0.0667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16475 4967SOL HW116473 2.707 4.650 0.831 -1.0006 -0.5733 0.1936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16476 4967SOL HW216474 2.591 4.709 0.732 0.1506 0.8461 -0.3460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16477 4968SOL OW16475 2.619 4.885 1.863 -0.5903 0.2391 -0.8009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16478 4968SOL HW116476 2.682 4.935 1.803 -1.2177 -0.5516 -2.1671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16479 4968SOL HW216477 2.527 4.888 1.826 -1.1236 0.2285 0.4638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16480 4969SOL OW16478 2.146 5.153 0.552 -0.3189 -0.3520 -0.1788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16481 4969SOL HW116479 2.138 5.077 0.616 -1.0527 -0.3861 -0.2945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16482 4969SOL HW216480 2.228 5.206 0.572 0.4240 -1.4127 -0.3646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16483 4970SOL OW16481 3.434 5.060 1.280 -0.1739 0.1329 -0.2375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16484 4970SOL HW116482 3.438 5.159 1.262 -1.5571 0.2699 0.1214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16485 4970SOL HW216483 3.420 5.045 1.378 2.0129 -0.4950 0.0355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16486 4971SOL OW16484 2.309 4.064 1.478 0.5554 0.4889 0.2647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16487 4971SOL HW116485 2.373 4.017 1.539 0.0372 1.1044 1.3222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16488 4971SOL HW216486 2.223 4.014 1.474 0.5767 0.4673 0.0574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16489 4972SOL OW16487 3.414 4.003 0.770 -0.2802 -0.0501 -0.4849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16490 4972SOL HW116488 3.342 4.012 0.702 -2.4222 -0.9159 1.4987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16491 4972SOL HW216489 3.384 4.046 0.855 1.2597 -1.0152 0.5997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16492 4973SOL OW16490 2.269 5.704 0.441 -0.2441 -0.7533 -0.0441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16493 4973SOL HW116491 2.295 5.676 0.534 -1.3405 -1.5771 0.0411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16494 4973SOL HW216492 2.332 5.663 0.375 0.4613 -0.2756 0.3179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16495 4974SOL OW16493 3.207 5.128 1.553 0.2086 0.1230 0.2832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16496 4974SOL HW116494 3.278 5.059 1.539 0.0771 -0.1027 0.6948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16497 4974SOL HW216495 3.117 5.084 1.554 0.0323 0.4505 -0.5651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16498 4975SOL OW16496 2.398 5.370 0.374 0.1592 -0.7501 0.1089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16499 4975SOL HW116497 2.457 5.448 0.352 1.2558 -1.2999 0.9995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16500 4975SOL HW216498 2.422 5.334 0.464 -1.0529 -1.4653 0.1756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16501 4976SOL OW16499 2.191 4.625 0.762 -0.1724 -0.1145 0.0824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16502 4976SOL HW116500 2.173 4.566 0.841 1.1093 -0.4341 0.1646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16503 4976SOL HW216501 2.107 4.636 0.708 -0.5616 -1.6193 0.3314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16504 4977SOL OW16502 2.440 5.478 1.395 0.2552 0.2776 -0.0161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16505 4977SOL HW116503 2.343 5.460 1.376 0.6297 -1.5814 -0.3096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16506 4977SOL HW216504 2.487 5.496 1.309 0.6308 -1.3227 -0.1695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16507 4978SOL OW16505 2.581 4.818 0.184 0.3879 -0.3117 -0.4712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16508 4978SOL HW116506 2.585 4.734 0.129 0.1395 1.0617 -2.6825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16509 4978SOL HW216507 2.606 4.796 0.279 0.5320 -2.8277 -1.0144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16510 4979SOL OW16508 3.265 3.791 1.382 -0.4278 -0.0799 0.4968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16511 4979SOL HW116509 3.256 3.778 1.481 1.6307 -1.4027 0.5580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16512 4979SOL HW216510 3.286 3.888 1.363 0.6088 -0.0811 1.5094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16513 4980SOL OW16511 1.958 4.277 0.621 0.4384 -0.1637 -0.2084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16514 4980SOL HW116512 1.914 4.187 0.619 2.2975 -1.1356 -0.3033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16515 4980SOL HW216513 1.965 4.307 0.716 0.1266 -0.2852 -0.1446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16516 4981SOL OW16514 3.931 5.127 0.170 0.0703 -0.4247 0.1644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16517 4981SOL HW116515 3.843 5.082 0.154 -0.5565 0.8759 -0.2796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16518 4981SOL HW216516 3.996 5.098 0.100 -0.1446 -1.0521 0.2179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16519 4982SOL OW16517 1.932 5.328 0.195 -0.0700 0.4166 -0.1124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16520 4982SOL HW116518 1.959 5.232 0.193 -2.2081 -0.2428 0.4874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16521 4982SOL HW216519 1.971 5.372 0.276 2.0049 0.4667 -1.0596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16522 4983SOL OW16520 3.559 4.578 0.627 -0.2195 -0.2598 -0.1661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16523 4983SOL HW116521 3.597 4.490 0.598 1.4798 0.4764 -0.2810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16524 4983SOL HW216522 3.634 4.639 0.654 -1.2874 1.5183 -1.1053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16525 4984SOL OW16523 3.543 4.701 0.257 -0.0041 -0.0454 0.0790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16526 4984SOL HW116524 3.575 4.607 0.269 -0.5992 -0.2714 -0.0572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16527 4984SOL HW216525 3.598 4.763 0.313 1.6082 -0.2266 -1.2348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16528 4985SOL OW16526 2.004 4.380 1.545 -0.1730 0.5575 0.3140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16529 4985SOL HW116527 2.086 4.413 1.497 -0.7824 1.3991 -0.1755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16530 4985SOL HW216528 1.985 4.440 1.623 -0.1786 0.2057 0.5883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16531 4986SOL OW16529 2.507 4.998 0.566 -0.5096 -0.1763 0.3860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16532 4986SOL HW116530 2.449 4.920 0.590 0.0573 -1.0526 -0.9708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16533 4986SOL HW216531 2.497 5.017 0.468 0.1325 0.8273 0.5008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16534 4987SOL OW16532 3.368 4.917 1.587 -0.2330 -0.7741 0.1347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16535 4987SOL HW116533 3.381 4.854 1.511 -0.4606 0.4286 -0.9229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16536 4987SOL HW216534 3.306 4.876 1.654 -1.6033 -1.0592 -1.2676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16537 4988SOL OW16535 2.751 3.756 0.353 0.0803 0.2888 -0.2988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16538 4988SOL HW116536 2.840 3.800 0.366 -0.0147 0.0329 1.5097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16539 4988SOL HW216537 2.682 3.803 0.410 -0.6619 -0.3299 -0.6648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16540 4989SOL OW16538 2.016 4.666 1.335 0.1048 -0.0036 -0.2086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16541 4989SOL HW116539 2.073 4.583 1.338 -0.4343 -0.3930 -0.5287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16542 4989SOL HW216540 2.040 4.720 1.255 -0.1585 -0.3047 -0.4932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16543 4990SOL OW16541 3.573 4.741 7.243 -0.1880 -0.4021 -0.9593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16544 4990SOL HW116542 3.494 4.744 7.181 0.3636 0.4377 -1.6306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16545 4990SOL HW216543 3.540 4.729 7.337 -1.1141 -0.2370 -1.2486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16546 4991SOL OW16544 3.066 5.370 1.517 0.2066 0.6098 -0.6985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16547 4991SOL HW116545 3.095 5.455 1.473 0.4845 -0.4799 -2.7430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16548 4991SOL HW216546 3.135 5.299 1.501 -0.6325 -0.3443 -0.1858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16549 4992SOL OW16547 2.367 3.919 1.964 -0.2759 0.4953 -0.0290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16550 4992SOL HW116548 2.386 4.017 1.962 -0.9662 0.6321 -0.3852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16551 4992SOL HW216549 2.274 3.903 1.930 -0.2656 -0.2584 0.2811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16552 4993SOL OW16550 3.439 4.960 0.875 0.3517 0.0435 0.0412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16553 4993SOL HW116551 3.357 4.982 0.928 -0.3185 -2.0517 -0.0597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16554 4993SOL HW216552 3.417 4.893 0.805 2.2384 -0.9212 0.3192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16555 4994SOL OW16553 3.604 5.406 0.363 0.7328 0.2047 0.4805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16556 4994SOL HW116554 3.625 5.413 0.460 1.0311 -0.8500 0.4958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16557 4994SOL HW216555 3.690 5.398 0.311 0.5414 0.0547 0.1878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16558 4995SOL OW16556 2.242 4.451 0.332 -0.4864 -0.4465 -0.3918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16559 4995SOL HW116557 2.149 4.416 0.347 -0.3771 -0.7212 -0.3517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16560 4995SOL HW216558 2.304 4.411 0.400 -0.3562 -0.1891 -0.3577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16561 4996SOL OW16559 3.307 4.054 1.007 0.0411 0.1426 0.0386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16562 4996SOL HW116560 3.240 3.983 0.989 -1.3160 1.0604 1.1795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16563 4996SOL HW216561 3.339 4.047 1.101 2.2078 -0.7662 -0.7089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16564 4997SOL OW16562 3.577 5.157 7.212 -0.3293 0.0782 0.2656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16565 4997SOL HW116563 3.603 5.118 7.300 0.0623 -0.2646 -0.0061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16566 4997SOL HW216564 3.608 5.252 7.208 -2.0328 0.7308 1.2492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16567 4998SOL OW16565 2.627 4.313 1.287 -0.3778 0.2509 0.0323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16568 4998SOL HW116566 2.674 4.226 1.300 1.1493 0.6373 -2.2500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16569 4998SOL HW216567 2.620 4.332 1.189 -4.0806 0.9396 0.2927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16570 4999SOL OW16568 3.191 4.170 1.664 0.2255 -0.1849 0.2915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16571 4999SOL HW116569 3.113 4.232 1.651 0.3482 -0.0852 0.0356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16572 4999SOL HW216570 3.157 4.076 1.671 0.1277 -0.2204 -0.5019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16573 5000SOL OW16571 2.948 4.729 1.638 -0.5724 -0.2713 -0.2344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16574 5000SOL HW116572 2.952 4.686 1.547 -0.7073 0.8721 -0.7962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16575 5000SOL HW216573 2.930 4.827 1.628 -2.9378 -0.4869 1.0930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16576 5001SOL OW16574 3.020 4.176 1.057 -0.3616 0.1060 -0.3943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16577 5001SOL HW116575 2.940 4.131 1.017 1.1036 -0.9198 -2.3395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16578 5001SOL HW216576 3.075 4.108 1.106 0.6225 0.2508 -1.2753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16579 5002SOL OW16577 2.591 4.499 0.503 0.0455 -0.1081 -0.0131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16580 5002SOL HW116578 2.663 4.473 0.568 0.5756 1.9097 0.2717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16581 5002SOL HW216579 2.503 4.466 0.536 0.5696 -0.8257 0.7043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16582 5003SOL OW16580 1.978 4.447 0.963 0.2722 -0.3005 -0.1675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16583 5003SOL HW116581 2.075 4.420 0.964 0.1928 -0.6130 -0.4960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16584 5003SOL HW216582 1.957 4.498 1.046 0.5929 -0.6973 0.1651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16585 5004SOL OW16583 1.917 5.348 1.522 -0.3305 0.3113 0.0089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16586 5004SOL HW116584 1.918 5.339 1.621 -0.5475 -0.3883 -0.0458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16587 5004SOL HW216585 1.896 5.443 1.497 -2.3347 0.0811 0.6298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16588 5005SOL OW16586 2.686 4.004 0.017 -0.1606 0.5116 -0.6359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16589 5005SOL HW116587 2.756 4.072 0.039 -1.1309 0.7712 1.9477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16590 5005SOL HW216588 2.726 3.913 0.023 0.1477 0.6852 0.0236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16591 5006SOL OW16589 3.627 4.251 1.850 0.4152 -0.1037 0.2222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16592 5006SOL HW116590 3.584 4.333 1.812 1.0492 0.0975 -0.0835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16593 5006SOL HW216591 3.624 4.177 1.782 2.0099 0.4094 -0.4702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16594 5007SOL OW16592 3.323 4.785 0.392 0.5173 0.4865 -0.5023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16595 5007SOL HW116593 3.409 4.750 0.355 -0.1261 -0.5020 -1.1133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16596 5007SOL HW216594 3.286 4.854 0.330 -0.3919 -0.9301 -1.6264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16597 5008SOL OW16595 2.503 3.781 0.981 -0.2465 -0.0764 -0.0817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16598 5008SOL HW116596 2.565 3.802 1.057 0.9458 0.8642 -1.2643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16599 5008SOL HW216597 2.477 3.866 0.935 1.2555 -0.7735 -2.3751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16600 5009SOL OW16598 3.207 5.099 0.608 0.2617 -0.3148 0.2579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16601 5009SOL HW116599 3.210 5.002 0.583 0.3676 -0.2223 -0.0878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16602 5009SOL HW216600 3.201 5.107 0.708 3.4814 -0.6689 0.6193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16603 5010SOL OW16601 2.237 5.543 0.877 0.1638 0.3282 -0.0804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16604 5010SOL HW116602 2.264 5.447 0.868 -0.6802 0.1153 -0.4006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16605 5010SOL HW216603 2.241 5.569 0.974 -1.9206 -0.7430 0.3389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16606 5011SOL OW16604 3.771 4.636 0.992 0.1172 -0.6473 -0.3645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16607 5011SOL HW116605 3.672 4.621 0.995 0.0229 -0.2663 -1.2613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16608 5011SOL HW216606 3.818 4.554 1.024 -0.4980 -0.0768 2.2922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16609 5012SOL OW16607 3.002 5.007 1.288 0.6837 0.4000 0.2919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16610 5012SOL HW116608 3.025 4.922 1.241 0.2908 -0.3552 1.4300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16611 5012SOL HW216609 2.915 5.041 1.254 1.6006 1.2380 -1.3195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16612 5013SOL OW16610 2.306 4.661 0.170 -0.6559 0.4670 0.1758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16613 5013SOL HW116611 2.276 4.594 0.238 0.1712 0.6518 0.7353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16614 5013SOL HW216612 2.362 4.615 0.101 3.2030 1.0524 2.5970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16615 5014SOL OW16613 3.313 4.436 0.592 -0.1103 0.1948 -0.2430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16616 5014SOL HW116614 3.280 4.406 0.681 -0.1253 0.6003 -0.1090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16617 5014SOL HW216615 3.407 4.471 0.601 -0.0542 0.0927 -0.4153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16618 5015SOL OW16616 2.419 4.923 1.676 0.3263 -0.0851 -0.2014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16619 5015SOL HW116617 2.455 4.939 1.584 -1.6380 0.4154 -0.9116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16620 5015SOL HW216618 2.327 4.960 1.683 0.3313 -0.3778 1.8975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16621 5016SOL OW16619 3.110 5.359 0.190 -0.2407 -0.0445 -0.2039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16622 5016SOL HW116620 3.028 5.316 0.153 0.0243 -1.0590 0.3487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16623 5016SOL HW216621 3.162 5.292 0.244 -0.4315 1.2556 1.7018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16624 5017SOL OW16622 2.096 3.905 1.495 -0.9215 -0.0894 -0.2609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16625 5017SOL HW116623 2.024 3.967 1.525 0.1240 -0.4551 3.5862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16626 5017SOL HW216624 2.060 3.813 1.485 -1.2317 -0.0926 0.7400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16627 5018SOL OW16625 3.321 5.098 7.113 0.1485 0.5846 -0.2817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16628 5018SOL HW116626 3.230 5.102 7.154 -0.5250 1.1628 -1.7426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16629 5018SOL HW216627 3.390 5.121 7.182 -0.7533 -0.2600 0.9557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16630 5019SOL OW16628 2.447 5.614 0.213 0.9793 0.5122 0.1193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16631 5019SOL HW116629 2.522 5.642 0.273 1.3901 -3.1181 1.5679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16632 5019SOL HW216630 2.484 5.582 0.126 1.5320 -2.6768 1.3513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16633 5020SOL OW16631 3.415 3.766 0.284 1.0039 -0.1949 0.1396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16634 5020SOL HW116632 3.365 3.762 0.197 1.8478 -1.1149 -0.3270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16635 5020SOL HW216633 3.459 3.678 0.301 -0.0158 -0.4016 2.0437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16636 5021SOL OW16634 1.933 5.444 1.050 0.0212 0.2563 -0.0413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16637 5021SOL HW116635 1.936 5.349 1.019 -2.0897 0.5224 -1.2360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16638 5021SOL HW216636 1.970 5.504 0.979 2.5844 0.2896 1.2245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16639 5022SOL OW16637 2.970 5.335 0.872 0.2932 -0.8478 0.1639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16640 5022SOL HW116638 3.057 5.285 0.876 0.5745 -0.4366 -0.6125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16641 5022SOL HW216639 2.897 5.273 0.844 0.5877 -0.8944 -0.5110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16642 5023SOL OW16640 2.230 4.208 0.515 -0.1431 0.0962 -0.4650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16643 5023SOL HW116641 2.263 4.118 0.487 1.0617 0.5899 -0.6895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16644 5023SOL HW216642 2.144 4.198 0.564 0.6741 -1.3374 0.7665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16645 5024SOL OW16643 2.982 3.907 1.771 -0.3027 0.0855 -0.4324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16646 5024SOL HW116644 2.998 3.878 1.866 -0.5653 1.2859 -0.0101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16647 5024SOL HW216645 2.898 3.960 1.766 -0.8946 -0.8953 -1.5483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16648 5025SOL OW16646 2.436 3.845 7.233 0.3912 0.0550 0.5877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16649 5025SOL HW116647 2.374 3.902 7.286 1.0021 -0.2756 1.6965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16650 5025SOL HW216648 2.529 3.853 7.270 -0.0266 -4.5205 3.3929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16651 5026SOL OW16649 2.540 3.676 1.630 -0.2518 0.2920 -0.2554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16652 5026SOL HW116650 2.505 3.768 1.648 -1.2844 -0.3598 1.1972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16653 5026SOL HW216651 2.465 3.611 1.631 0.7070 -0.8366 0.5747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16654 5027SOL OW16652 2.685 5.117 1.080 -0.1640 -0.4302 0.3225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16655 5027SOL HW116653 2.762 5.086 1.024 -0.2263 3.0295 -2.0061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16656 5027SOL HW216654 2.719 5.161 1.163 0.1359 -2.1416 1.1302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16657 5028SOL OW16655 3.391 4.256 1.487 0.2592 -0.0417 0.3317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16658 5028SOL HW116656 3.370 4.186 1.555 0.0637 -1.1389 -0.8268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16659 5028SOL HW216657 3.375 4.347 1.526 -0.4192 -0.6710 1.5476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16660 5029SOL OW16658 2.851 5.003 0.906 0.3744 0.1508 0.3409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16661 5029SOL HW116659 2.936 4.953 0.887 1.3948 1.0567 2.2341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16662 5029SOL HW216660 2.828 5.061 0.828 0.6941 -1.1428 -0.7604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16663 5030SOL OW16661 2.946 4.044 0.668 0.0849 -0.7964 -0.3675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16664 5030SOL HW116662 2.864 4.055 0.611 -0.5599 -3.2507 -0.0119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16665 5030SOL HW216663 2.920 4.009 0.758 0.9754 3.7381 1.9664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16666 5031SOL OW16664 2.517 3.998 0.449 0.1305 -0.4366 -0.8703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16667 5031SOL HW116665 2.431 3.993 0.500 0.4432 -0.0094 -0.2870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16668 5031SOL HW216666 2.499 4.029 0.356 -0.1630 1.5795 -0.1890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16669 5032SOL OW16667 3.262 4.753 7.221 0.1354 0.1013 0.0212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16670 5032SOL HW116668 3.215 4.775 7.135 1.0814 2.1882 -0.0176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16671 5032SOL HW216669 3.274 4.836 7.275 -0.6673 -1.1942 2.3591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16672 5033SOL OW16670 2.321 3.757 0.241 0.0823 -0.5781 -0.0416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16673 5033SOL HW116671 2.295 3.852 0.222 0.0848 -0.3826 0.8788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16674 5033SOL HW216672 2.409 3.737 0.199 1.0501 0.4553 1.4152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16675 5034SOL OW16673 2.983 3.882 0.387 0.2648 -0.3867 -0.3542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16676 5034SOL HW116674 2.973 3.974 0.426 -0.2825 -0.2173 -0.8810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16677 5034SOL HW216675 3.065 3.839 0.424 1.7952 1.1647 -1.7388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16678 5035SOL OW16676 2.949 4.561 1.423 0.2425 -0.1186 -0.0162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16679 5035SOL HW116677 2.880 4.560 1.351 0.3500 1.7135 -0.1937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16680 5035SOL HW216678 3.007 4.480 1.415 0.5221 0.2317 -2.2895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16681 5036SOL OW16679 3.190 5.186 0.878 -0.4833 0.0415 0.0528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16682 5036SOL HW116680 3.236 5.271 0.904 0.0767 0.1616 -1.2393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16683 5036SOL HW216681 3.190 5.122 0.955 -0.4528 1.0044 0.8796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16684 5037SOL OW16682 2.399 4.755 0.663 0.3831 0.4316 -0.3256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16685 5037SOL HW116683 2.338 4.698 0.718 0.1151 -0.7040 -1.7200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16686 5037SOL HW216684 2.363 4.763 0.570 -0.0614 3.6898 0.0138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16687 5038SOL OW16685 3.365 5.324 0.638 -0.1018 0.0073 0.2509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16688 5038SOL HW116686 3.335 5.402 0.584 1.6922 1.0911 0.7621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16689 5038SOL HW216687 3.313 5.243 0.611 -1.0165 1.0588 -1.2718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16690 5039SOL OW16688 2.690 4.349 0.019 0.3201 -0.4753 -0.4385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16691 5039SOL HW116689 2.660 4.407 0.095 1.0111 0.4564 -0.8572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16692 5039SOL HW216690 2.782 4.315 0.037 0.0671 -1.1397 -0.3750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16693 5040SOL OW16691 1.931 4.224 1.296 -0.3853 -0.3699 0.5138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16694 5040SOL HW116692 2.030 4.226 1.303 -0.4177 -0.5218 1.0520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16695 5040SOL HW216693 1.890 4.255 1.382 -0.8053 -0.1412 0.2407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16696 5041SOL OW16694 2.592 4.000 1.140 -0.5579 -0.5272 0.3839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16697 5041SOL HW116695 2.652 4.018 1.218 -0.6456 1.9507 -0.0576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16698 5041SOL HW216696 2.497 3.997 1.171 -0.4719 -1.3243 0.6046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16699 5042SOL OW16697 2.739 4.115 0.536 -0.2522 -0.5788 0.4904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16700 5042SOL HW116698 2.655 4.084 0.491 0.7774 -1.6025 -0.7848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16701 5042SOL HW216699 2.741 4.215 0.537 -1.0279 -0.5406 -0.3876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16702 5043SOL OW16700 3.247 3.619 0.887 0.0002 0.2989 0.2704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16703 5043SOL HW116701 3.257 3.539 0.946 0.5062 -0.0440 -0.2641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16704 5043SOL HW216702 3.261 3.591 0.792 -1.6737 0.6666 -0.1177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16705 5044SOL OW16703 3.320 4.762 0.687 0.2092 -0.2109 0.2112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16706 5044SOL HW116704 3.297 4.672 0.725 0.4847 -0.3270 0.1135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16707 5044SOL HW216705 3.326 4.755 0.588 0.2280 -0.0834 0.2038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16708 5045SOL OW16706 3.352 4.306 0.916 0.5828 -0.4318 -0.5126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16709 5045SOL HW116707 3.295 4.227 0.939 1.3504 -0.7273 0.3987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16710 5045SOL HW216708 3.434 4.306 0.972 0.7225 0.8808 -0.6837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16711 5046SOL OW16709 3.691 4.367 0.515 -0.9195 -0.1320 0.4513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16712 5046SOL HW116710 3.779 4.365 0.561 -1.7586 -2.2730 2.1496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16713 5046SOL HW216711 3.649 4.276 0.520 -3.3445 0.8777 -0.0766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16714 5047SOL OW16712 2.539 5.131 0.279 0.2329 -0.3699 -0.1102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16715 5047SOL HW116713 2.461 5.193 0.269 0.1541 -0.2958 0.8489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16716 5047SOL HW216714 2.525 5.050 0.222 0.3296 0.4681 -1.3689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16717 5048SOL OW16715 3.620 4.898 0.446 0.3870 -0.6911 -0.6555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16718 5048SOL HW116716 3.691 4.851 0.499 1.6628 1.0487 -0.7226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16719 5048SOL HW216717 3.595 4.983 0.493 -0.6448 -0.6017 -1.3441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16720 5049SOL OW16718 2.902 4.171 0.066 0.1555 0.2027 -0.2940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16721 5049SOL HW116719 2.907 4.195 0.163 -0.7559 -1.9907 0.3430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16722 5049SOL HW216720 2.991 4.138 0.036 0.2744 0.2937 -0.0479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16723 5050SOL OW16721 2.508 4.091 0.198 0.3459 -1.0111 -0.1152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16724 5050SOL HW116722 2.587 4.058 0.146 -0.5392 -0.9898 -1.5052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16725 5050SOL HW216723 2.461 4.162 0.147 -0.8304 -1.3160 0.4956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16726 5051SOL OW16724 3.725 4.915 1.624 -0.7191 0.5281 -0.3409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16727 5051SOL HW116725 3.663 4.934 1.700 0.2163 0.3487 0.4914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16728 5051SOL HW216726 3.788 4.992 1.612 0.0845 -0.0511 0.0306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16729 5052SOL OW16727 2.798 4.771 1.173 -0.0358 -0.1484 0.2682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16730 5052SOL HW116728 2.719 4.787 1.114 0.4315 0.1544 -0.2997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16731 5052SOL HW216729 2.771 4.777 1.269 -0.4072 1.5762 0.0852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16732 5053SOL OW16730 3.594 5.271 1.571 -0.0134 -0.1096 -0.3968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16733 5053SOL HW116731 3.630 5.296 1.481 1.8405 -0.5876 0.1614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16734 5053SOL HW216732 3.634 5.184 1.600 0.6005 0.7461 1.5119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16735 5054SOL OW16733 3.059 4.795 1.097 0.3569 -0.6123 0.6775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16736 5054SOL HW116734 2.963 4.784 1.121 0.3939 -0.0327 1.1274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16737 5054SOL HW216735 3.066 4.843 1.009 0.2205 0.7980 1.4000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16738 5055SOL OW16736 3.490 4.702 0.964 0.5470 -0.4268 1.1608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16739 5055SOL HW116737 3.459 4.647 0.886 2.2458 -1.9324 1.4774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16740 5055SOL HW216738 3.490 4.799 0.938 1.6438 -0.9316 -0.9356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16741 5056SOL OW16739 2.745 3.750 1.160 -0.0610 -0.2811 -0.7498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16742 5056SOL HW116740 2.779 3.703 1.079 0.2834 0.8734 -1.2803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16743 5056SOL HW216741 2.820 3.796 1.207 -0.4785 0.2145 -0.5493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16744 5057SOL OW16742 2.943 4.574 1.871 0.5724 0.0903 0.1977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16745 5057SOL HW116743 2.964 4.491 1.820 -0.4019 -0.1159 0.1087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16746 5057SOL HW216744 2.950 4.653 1.809 -0.5156 -0.1498 -0.2635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16747 5058SOL OW16745 2.631 4.763 0.440 0.4887 0.3395 0.2524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16748 5058SOL HW116746 2.621 4.789 0.536 2.4601 -0.1557 0.6188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16749 5058SOL HW216747 2.631 4.663 0.432 0.5707 0.3754 -0.2349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16750 5059SOL OW16748 2.215 4.475 1.370 -0.3045 0.5877 -0.0887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16751 5059SOL HW116749 2.308 4.507 1.387 -0.1279 0.0118 0.0681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16752 5059SOL HW216750 2.218 4.379 1.341 -0.7804 0.8360 -0.9948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16753 5060SOL OW16751 3.222 4.122 1.277 0.3674 0.1856 -0.0817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16754 5060SOL HW116752 3.319 4.143 1.294 1.2336 -2.1025 -1.6859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16755 5060SOL HW216753 3.176 4.205 1.247 1.8752 1.3031 0.5459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16756 5061SOL OW16754 2.009 5.117 0.958 0.7022 0.6738 -0.1530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16757 5061SOL HW116755 1.921 5.146 0.920 0.5095 0.5459 0.1944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16758 5061SOL HW216756 2.083 5.164 0.910 0.4752 0.2894 -0.8942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16759 5062SOL OW16757 2.313 4.801 0.419 0.1603 0.0898 -0.1673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16760 5062SOL HW116758 2.308 4.890 0.374 -2.1830 -0.8567 -2.0239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16761 5062SOL HW216759 2.342 4.732 0.352 1.4605 -0.6734 1.1113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16762 5063SOL OW16760 2.440 4.012 0.837 -0.1762 0.0036 0.2685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16763 5063SOL HW116761 2.440 3.961 0.751 1.7340 -1.9994 1.3326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16764 5063SOL HW216762 2.504 4.089 0.830 0.6709 -0.6878 0.1221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16765 5064SOL OW16763 3.203 5.108 0.329 -0.2593 -0.0693 -0.2314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16766 5064SOL HW116764 3.296 5.136 0.304 1.1677 -3.0208 1.2907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16767 5064SOL HW216765 3.187 5.129 0.425 -0.8946 -0.2122 -0.3036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16768 5065SOL OW16766 3.260 5.009 1.077 0.4037 0.2743 0.6016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16769 5065SOL HW116767 3.332 5.011 1.146 0.5440 -0.1470 0.4735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16770 5065SOL HW216768 3.173 4.986 1.119 -0.0510 2.6025 1.0802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16771 5066SOL OW16769 3.217 4.253 0.426 0.3019 0.0526 -0.1871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16772 5066SOL HW116770 3.258 4.314 0.494 0.1858 -0.2098 0.1230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16773 5066SOL HW216771 3.242 4.284 0.335 0.4602 0.4117 -0.0265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16774 5067SOL OW16772 2.270 5.224 0.870 -0.2660 0.4415 0.0521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16775 5067SOL HW116773 2.296 5.205 0.775 0.6675 2.0476 -0.0617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16776 5067SOL HW216774 2.338 5.185 0.932 0.4417 1.4485 -0.0719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16777 5068SOL OW16775 2.327 4.250 1.656 0.5107 0.3767 -0.0175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16778 5068SOL HW116776 2.320 4.163 1.607 -0.7765 -0.0125 0.8047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16779 5068SOL HW216777 2.397 4.308 1.612 -0.3874 -0.0512 -2.1260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16780 5069SOL OW16778 3.543 4.483 1.712 0.1040 -0.7753 -0.1956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16781 5069SOL HW116779 3.451 4.499 1.675 -0.0490 -0.5751 0.2709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16782 5069SOL HW216780 3.610 4.536 1.659 -0.5627 3.0077 2.3705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16783 5070SOL OW16781 2.327 3.518 1.621 -0.0377 -0.4605 -0.0478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16784 5070SOL HW116782 2.259 3.508 1.549 -0.6801 2.3478 0.0512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16785 5070SOL HW216783 2.283 3.509 1.711 0.3240 -1.5697 0.0405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16786 5071SOL OW16784 2.391 4.582 1.078 -0.0007 0.1313 -0.6083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16787 5071SOL HW116785 2.361 4.675 1.057 -2.4306 -0.6363 -0.9053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16788 5071SOL HW216786 2.436 4.581 1.168 0.0261 1.5751 -0.5817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16789 5072SOL OW16787 3.221 4.552 0.850 -0.1348 -0.1277 0.0841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16790 5072SOL HW116788 3.141 4.551 0.909 -1.9037 0.4927 -2.1773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16791 5072SOL HW216789 3.280 4.474 0.872 -1.5500 -0.8479 1.4951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16792 5073SOL OW16790 2.944 4.249 0.309 -0.2904 0.1793 0.0533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16793 5073SOL HW116791 3.027 4.219 0.356 -1.6030 -0.4071 2.1727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16794 5073SOL HW216792 2.942 4.349 0.305 0.7854 0.1875 -0.5920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16795 5074SOL OW16793 2.279 3.872 1.219 -0.5005 -0.0716 -0.0421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16796 5074SOL HW116794 2.230 3.908 1.298 -0.9372 0.2623 -0.4643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16797 5074SOL HW216795 2.326 3.787 1.245 -0.3845 0.2015 0.6522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16798 5075SOL OW16796 2.059 5.021 1.220 0.2524 -0.5246 0.0253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16799 5075SOL HW116797 1.976 5.005 1.274 0.3936 -1.8316 -0.1037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16800 5075SOL HW216798 2.035 5.068 1.135 -0.4943 -1.6560 -0.4096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16801 5076SOL OW16799 2.613 4.234 0.821 -0.2982 -0.4647 0.0636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16802 5076SOL HW116800 2.666 4.281 0.751 -0.9025 -1.2934 -0.9863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16803 5076SOL HW216801 2.606 4.292 0.902 0.3721 0.5416 -0.5744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16804 5077SOL OW16802 3.516 4.727 1.879 -0.2788 -0.1668 -0.2427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16805 5077SOL HW116803 3.532 4.651 1.817 -0.0864 -0.2293 -0.1159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16806 5077SOL HW216804 3.434 4.710 1.934 -0.4064 -0.1451 -0.4242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16807 5078SOL OW16805 2.066 3.685 0.720 0.3596 -0.1069 0.5948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16808 5078SOL HW116806 2.047 3.765 0.663 -0.5095 -0.1374 0.8319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16809 5078SOL HW216807 2.152 3.700 0.770 0.6004 0.3482 0.0620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16810 5079SOL OW16808 3.316 4.026 0.178 -0.1052 0.5045 0.0079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16811 5079SOL HW116809 3.260 3.963 0.233 1.2103 -1.2117 -0.5202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16812 5079SOL HW216810 3.376 4.078 0.238 0.3206 -0.3318 0.3214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16813 5080SOL OW16811 3.025 4.271 0.799 -0.0291 0.5949 -0.4433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16814 5080SOL HW116812 3.035 4.238 0.893 -2.0615 2.3106 0.4410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16815 5080SOL HW216813 2.999 4.195 0.740 -2.5026 0.1259 1.1204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16816 5081SOL OW16814 2.900 4.975 1.564 -0.9271 0.2840 -0.1871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16817 5081SOL HW116815 2.940 5.016 1.482 1.2791 0.8919 1.0919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16818 5081SOL HW216816 2.847 5.043 1.614 0.2932 0.8059 0.4311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16819 5082SOL OW16817 3.877 5.140 1.591 0.0279 -0.2178 -0.3784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16820 5082SOL HW116818 3.903 5.169 1.499 -0.8575 -1.5411 -1.0737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16821 5082SOL HW216819 3.942 5.178 1.657 -0.4158 2.3610 -1.3086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16822 5083SOL OW16820 2.428 4.657 1.711 0.4720 0.0806 0.3820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16823 5083SOL HW116821 2.451 4.750 1.681 -1.0228 0.5700 0.7022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16824 5083SOL HW216822 2.464 4.591 1.644 -1.1674 1.0554 -1.5853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16825 5084SOL OW16823 3.129 4.054 7.226 0.4382 0.5434 -0.4359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16826 5084SOL HW116824 3.142 3.966 7.180 2.7449 0.9975 -0.7969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16827 5084SOL HW216825 3.190 4.060 7.305 -0.9771 1.1543 0.6530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16828 5085SOL OW16826 3.334 4.123 6.985 0.2300 -0.1869 -0.3983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16829 5085SOL HW116827 3.426 4.124 6.946 -0.4262 -1.0510 -2.0938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16830 5085SOL HW216828 3.266 4.130 6.911 -1.1140 -3.1686 0.3757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16831 5086SOL OW16829 3.081 4.845 0.818 -0.0955 -0.7183 0.4636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16832 5086SOL HW116830 3.019 4.809 0.748 -0.6332 -0.7316 0.9364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16833 5086SOL HW216831 3.175 4.842 0.784 -0.4399 0.2249 -0.6552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16834 5087SOL OW16832 2.235 4.394 0.964 0.3193 0.2477 -0.0999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16835 5087SOL HW116833 2.279 4.456 1.029 -1.8838 -0.1312 1.8832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16836 5087SOL HW216834 2.262 4.300 0.985 0.8728 0.2380 -0.8175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16837 5088SOL OW16835 2.277 4.127 1.034 -0.4633 0.0817 -0.2319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16838 5088SOL HW116836 2.252 4.044 1.083 2.7506 -0.6272 0.4618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16839 5088SOL HW216837 2.329 4.103 0.952 -0.0981 1.3938 -0.4144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16840 5089SOL OW16838 2.884 3.790 1.484 0.3655 0.2353 0.1790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16841 5089SOL HW116839 2.876 3.870 1.544 -0.8522 -0.0154 0.3826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16842 5089SOL HW216840 2.868 3.707 1.537 2.8663 -0.2944 0.2474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16843 5090SOL OW16841 2.973 3.871 1.253 0.0057 -0.0256 -0.4003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16844 5090SOL HW116842 2.941 3.831 1.339 0.1511 0.1717 -0.2562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16845 5090SOL HW216843 3.069 3.849 1.239 0.4207 1.2857 0.2688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16846 5091SOL OW16844 1.953 5.055 0.229 0.3138 -0.5667 0.4484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16847 5091SOL HW116845 1.901 5.064 0.314 -2.2895 -1.5085 -0.9220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16848 5091SOL HW216846 1.956 4.958 0.202 -1.7244 -0.0632 -2.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16849 5092SOL OW16847 1.978 5.593 0.839 0.1745 -0.2129 -0.4398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16850 5092SOL HW116848 1.946 5.539 0.761 1.3297 -2.1877 0.3908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16851 5092SOL HW216849 2.078 5.603 0.834 0.2092 0.0332 0.5467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16852 5093SOL OW16850 2.422 5.246 0.646 -0.0047 -0.0881 -0.1558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16853 5093SOL HW116851 2.471 5.288 0.722 -0.2344 1.6510 -0.9258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16854 5093SOL HW216852 2.480 5.175 0.604 -0.1636 -1.6025 2.0360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16855 5094SOL OW16853 3.063 4.452 1.077 0.6744 -0.1526 -0.4815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16856 5094SOL HW116854 3.132 4.491 1.138 -0.4663 1.0639 0.0665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16857 5094SOL HW216855 3.074 4.352 1.074 2.2866 -0.0055 -0.2237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16858 5095SOL OW16856 1.792 4.277 1.070 0.1237 0.3894 0.4984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16859 5095SOL HW116857 1.856 4.342 1.028 -0.2181 -0.5204 -1.5188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16860 5095SOL HW216858 1.837 4.232 1.147 1.7623 0.1774 -0.5306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16861 5096SOL OW16859 1.870 4.162 1.585 -0.0229 0.4204 0.4623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16862 5096SOL HW116860 1.793 4.194 1.640 -0.3421 2.0300 -0.8478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16863 5096SOL HW216861 1.936 4.236 1.573 1.0107 -0.4934 0.3006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16864 5097SOL OW16862 3.329 4.528 1.534 -0.1095 -0.4000 0.1388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16865 5097SOL HW116863 3.263 4.593 1.572 -0.2633 -0.7711 0.5180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16866 5097SOL HW216864 3.339 4.544 1.436 0.5595 0.7969 0.3825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16867 5098SOL OW16865 2.367 4.396 0.649 -0.8792 0.6091 0.2595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16868 5098SOL HW116866 2.318 4.321 0.604 -0.4384 1.3199 -1.4698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16869 5098SOL HW216867 2.322 4.417 0.736 -1.4210 -1.1755 0.4510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16870 5099SOL OW16868 3.764 4.440 1.185 -0.5922 -0.0800 0.7902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16871 5099SOL HW116869 3.822 4.392 1.251 -0.4062 0.0443 0.7206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16872 5099SOL HW216870 3.699 4.376 1.144 0.8616 -0.7150 -0.6601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16873 5100SOL OW16871 2.264 5.191 1.548 0.0841 0.2562 0.2442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16874 5100SOL HW116872 2.301 5.276 1.586 0.2128 -0.0266 0.7557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16875 5100SOL HW216873 2.213 5.142 1.618 -2.0005 1.0232 -0.6404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16876 5101SOL OW16874 2.788 4.020 0.921 -0.6765 -0.1001 -0.3476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16877 5101SOL HW116875 2.731 3.973 0.988 1.2875 -0.7553 0.9451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16878 5101SOL HW216876 2.741 4.103 0.890 -2.6561 -1.0354 0.0025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16879 5102SOL OW16877 2.785 5.221 1.296 0.1323 -0.7182 0.0436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16880 5102SOL HW116878 2.707 5.232 1.357 0.9941 -1.4569 1.3405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16881 5102SOL HW216879 2.832 5.309 1.284 1.2152 -0.9270 2.2647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16882 5103SOL OW16880 2.333 4.274 0.099 0.2759 0.2967 -0.4266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16883 5103SOL HW116881 2.297 4.343 0.162 -1.2134 -1.2590 0.5262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16884 5103SOL HW216882 2.301 4.293 0.006 -2.5831 -0.5952 0.2610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16885 5104SOL OW16883 2.017 4.828 1.570 0.5851 -0.0333 -0.0374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16886 5104SOL HW116884 1.993 4.769 1.647 -0.3565 1.0379 0.5211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16887 5104SOL HW216885 2.040 4.771 1.491 -0.2831 -1.1415 0.4724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16888 5105SOL OW16886 3.243 4.620 1.195 0.7010 -0.2936 0.1714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16889 5105SOL HW116887 3.316 4.631 1.128 0.5333 1.2074 0.2101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16890 5105SOL HW216888 3.162 4.671 1.166 1.0788 1.5617 2.1348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16891 5106SOL OW16889 3.287 4.303 0.159 0.1117 0.1054 -0.4082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16892 5106SOL HW116890 3.236 4.386 0.137 1.7573 1.9805 2.2860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16893 5106SOL HW216891 3.365 4.294 0.097 1.3790 2.0832 0.7942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16894 5107SOL OW16892 3.541 5.201 0.965 -0.7402 0.6371 -0.2901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16895 5107SOL HW116893 3.500 5.116 0.932 -0.5669 1.1215 -1.8155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16896 5107SOL HW216894 3.640 5.199 0.952 -0.2154 -0.3402 2.9711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16897 5108SOL OW16895 3.411 5.322 1.239 0.2932 0.2658 0.0748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16898 5108SOL HW116896 3.407 5.352 1.143 -0.5169 -1.8639 -0.6216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16899 5108SOL HW216897 3.319 5.324 1.278 0.6061 1.0158 0.7995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16900 5109SOL OW16898 2.079 4.770 1.091 -0.2532 0.1526 0.4332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16901 5109SOL HW116899 2.052 4.856 1.134 -0.1872 -0.0439 0.8798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16902 5109SOL HW216900 2.029 4.757 1.005 1.6548 1.9324 -1.0473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16903 5110SOL OW16901 2.808 5.398 1.583 0.0916 0.2056 -0.1201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16904 5110SOL HW116902 2.796 5.482 1.530 1.3390 -0.1568 -1.0193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16905 5110SOL HW216903 2.905 5.373 1.585 -0.2971 -1.4231 -0.2104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16906 5111SOL OW16904 2.839 3.693 7.123 0.4998 -0.6151 -0.1558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16907 5111SOL HW116905 2.759 3.739 7.084 0.5425 -0.0444 0.4176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16908 5111SOL HW216906 2.822 3.671 7.219 0.7684 -1.1246 -0.2222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16909 5112SOL OW16907 3.559 4.007 0.343 -0.3633 -0.4901 -0.5275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16910 5112SOL HW116908 3.603 4.044 0.261 -2.2118 -0.1802 -1.4323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16911 5112SOL HW216909 3.516 3.919 0.321 -2.1054 0.2700 -0.3117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16912 5113SOL OW16910 3.399 5.288 0.209 -0.0221 0.5753 0.3161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16913 5113SOL HW116911 3.321 5.338 0.170 -0.1622 0.7478 0.8165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16914 5113SOL HW216912 3.471 5.352 0.234 0.0589 0.4652 0.3644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16915 5114SOL OW16913 2.172 5.423 1.806 -0.6063 0.1924 -0.0721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16916 5114SOL HW116914 2.074 5.404 1.807 -0.4305 -1.0544 -1.3791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16917 5114SOL HW216915 2.196 5.483 1.882 -2.0535 -1.1214 1.5104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16918 5115SOL OW16916 3.122 4.595 0.474 -0.3652 0.0683 0.2648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16919 5115SOL HW116917 3.166 4.524 0.531 0.2550 2.9868 3.8034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16920 5115SOL HW216918 3.187 4.669 0.458 -1.6644 0.8937 -1.4093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16921 5116SOL OW16919 2.554 4.992 1.416 0.2768 0.3713 -0.4265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16922 5116SOL HW116920 2.591 5.080 1.445 -0.9197 0.9808 -0.6812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16923 5116SOL HW216921 2.466 5.006 1.370 0.0687 -0.9590 -0.4830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16924 5117SOL OW16922 2.870 5.193 0.053 0.2952 -0.7968 -0.2704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16925 5117SOL HW116923 2.781 5.204 0.010 0.3026 -1.9566 -0.6051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16926 5117SOL HW216924 2.861 5.136 0.135 0.5618 -0.0175 0.3163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16927 5118SOL OW16925 3.674 5.359 1.335 0.1563 0.1134 -0.0549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16928 5118SOL HW116926 3.722 5.426 1.278 1.1373 -1.1577 -0.7776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16929 5118SOL HW216927 3.584 5.341 1.296 -0.0989 0.9561 0.1199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16930 5119SOL OW16928 3.723 3.765 0.991 0.4910 0.6493 0.0965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16931 5119SOL HW116929 3.758 3.671 1.000 -1.0229 0.1047 0.5248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16932 5119SOL HW216930 3.648 3.766 0.924 1.0086 1.7190 -0.4933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16933 5120SOL OW16931 2.081 3.965 0.759 -0.0743 0.0893 -0.1174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16934 5120SOL HW116932 2.003 4.017 0.724 0.2986 1.9718 1.6308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16935 5120SOL HW216933 2.067 3.945 0.856 0.4283 -1.9679 -0.4206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16936 5121SOL OW16934 3.062 5.191 7.102 -0.3351 -0.2515 -0.1092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16937 5121SOL HW116935 3.003 5.188 7.020 -1.5539 1.2588 0.6663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16938 5121SOL HW216936 3.005 5.181 7.184 0.7278 -0.4988 0.6138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16939 5122SOL OW16937 2.701 4.759 1.436 -0.4541 0.2263 -0.0369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16940 5122SOL HW116938 2.656 4.848 1.436 -0.5623 0.1713 -0.2974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16941 5122SOL HW216939 2.749 4.746 1.523 0.0977 0.8104 -0.2483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16942 5123SOL OW16940 2.956 4.554 0.270 -0.2091 0.7632 -0.2646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16943 5123SOL HW116941 3.007 4.533 0.187 -1.1798 0.0248 -0.6914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16944 5123SOL HW216942 3.020 4.570 0.345 0.6743 -1.6976 -0.4042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16945 5124SOL OW16943 3.218 5.417 7.126 0.6128 -0.3573 -0.1733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16946 5124SOL HW116944 3.165 5.334 7.142 0.1755 -0.0149 0.1785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16947 5124SOL HW216945 3.293 5.397 7.063 -1.4246 -0.3432 -2.8294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16948 5125SOL OW16946 2.323 5.106 1.306 -0.2609 0.1199 0.1815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16949 5125SOL HW116947 2.237 5.070 1.269 -1.0039 -0.4880 2.3655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16950 5125SOL HW216948 2.304 5.153 1.393 1.2722 2.2706 -0.5505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16951 5126SOL OW16949 3.654 4.916 1.184 0.6358 0.0436 0.0361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16952 5126SOL HW116950 3.710 4.989 1.222 0.0811 -0.0314 1.0426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16953 5126SOL HW216951 3.560 4.925 1.219 -0.5506 1.3522 -3.1367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16954 5127SOL OW16952 2.923 4.753 0.604 -0.5398 0.1543 0.1266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16955 5127SOL HW116953 2.829 4.724 0.617 -0.7971 1.1640 0.6101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16956 5127SOL HW216954 2.980 4.674 0.582 -1.8757 -0.2278 -2.4031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16957 5128SOL OW16955 3.138 3.852 0.956 0.0888 -0.0636 0.5213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16958 5128SOL HW116956 3.199 3.775 0.937 -0.3885 -0.3995 0.3382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16959 5128SOL HW216957 3.044 3.819 0.967 -0.5583 0.7130 -1.9173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16960 5129SOL OW16958 2.755 5.177 0.424 0.2020 0.0957 0.6314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16961 5129SOL HW116959 2.805 5.092 0.406 0.6071 0.0426 1.8879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16962 5129SOL HW216960 2.680 5.186 0.359 0.7683 -0.7249 -0.1504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16963 5130SOL OW16961 3.773 4.026 1.490 -0.3493 0.1197 0.1007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16964 5130SOL HW116962 3.794 4.117 1.454 -0.3846 -0.2390 -0.8563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16965 5130SOL HW216963 3.784 3.958 1.418 -1.4548 -0.5004 0.4837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16966 5131SOL OW16964 2.280 5.047 0.313 -0.6181 -0.0930 0.0414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16967 5131SOL HW116965 2.231 5.095 0.385 -0.0482 0.1479 0.2785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16968 5131SOL HW216966 2.276 5.099 0.228 -2.0490 -0.8074 -0.3518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16969 5132SOL OW16967 1.955 4.623 1.734 0.2531 -1.0949 0.2429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16970 5132SOL HW116968 1.880 4.615 1.799 0.0635 -2.0270 -0.0794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16971 5132SOL HW216969 2.042 4.606 1.780 0.3100 0.2544 0.6770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16972 5133SOL OW16970 2.655 3.595 1.384 0.2407 0.5659 -0.1186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16973 5133SOL HW116971 2.689 3.666 1.322 0.8593 0.4585 0.0894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16974 5133SOL HW216972 2.625 3.637 1.469 1.4299 0.5097 0.3515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16975 5134SOL OW16973 1.639 4.191 7.095 -0.0007 -0.5801 0.1343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16976 5134SOL HW116974 1.655 4.166 7.190 0.7845 0.3355 0.2555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16977 5134SOL HW216975 1.618 4.289 7.089 -2.0485 -0.9888 -0.4206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16978 5135SOL OW16976 3.400 4.768 1.374 -0.1290 0.7321 0.1130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16979 5135SOL HW116977 3.345 4.712 1.312 -0.4943 0.1368 0.9602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16980 5135SOL HW216978 3.497 4.745 1.362 -0.0888 1.4241 -1.0239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16981 5136SOL OW16979 2.096 3.721 0.361 -0.1801 -0.1166 0.1344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16982 5136SOL HW116980 2.037 3.751 0.286 -1.2440 -0.8948 0.6343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16983 5136SOL HW216981 2.192 3.723 0.331 -0.1628 3.2421 -0.0391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16984 5137SOL OW16982 3.158 4.974 0.094 0.3751 -0.1982 0.1963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16985 5137SOL HW116983 3.066 4.940 0.075 -0.3391 2.0085 -0.5789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16986 5137SOL HW216984 3.160 5.017 0.184 0.2433 1.0131 -0.3640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16987 5138SOL OW16985 2.491 4.547 1.341 -0.6146 -0.0164 -0.3569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16988 5138SOL HW116986 2.558 4.610 1.382 -1.9866 1.7039 -0.6201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16989 5138SOL HW216987 2.529 4.455 1.339 1.7560 0.8876 -0.5221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16990 5139SOL OW16988 3.337 5.383 0.977 -0.2157 0.2460 0.1360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16991 5139SOL HW116989 3.351 5.462 0.917 -1.1632 0.2261 -0.1166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16992 5139SOL HW216990 3.417 5.323 0.971 -0.1098 0.4595 -0.7825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16993 5140SOL OW16991 2.811 4.099 1.342 -0.7999 -0.1725 0.3971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16994 5140SOL HW116992 2.826 4.083 1.440 0.4623 3.0783 0.8464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16995 5140SOL HW216993 2.879 4.047 1.289 2.2609 2.2822 1.6377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16996 5141SOL OW16994 3.196 4.818 1.754 -0.3167 -0.0714 0.0543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16997 5141SOL HW116995 3.116 4.781 1.708 -0.8503 1.0380 0.0627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16998 5141SOL HW216996 3.207 4.775 1.844 -0.9753 -0.1263 0.1082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
16999 5142SOL OW16997 2.170 5.461 1.385 0.2216 -0.1097 -0.1555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17000 5142SOL HW116998 2.098 5.500 1.329 -0.3827 -2.0187 -0.7816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17001 5142SOL HW216999 2.132 5.390 1.445 1.3086 -0.0008 0.7115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17002 5143SOL OW17000 3.659 4.661 1.309 -0.1908 0.2729 -0.0693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17003 5143SOL HW117001 3.708 4.582 1.273 0.8777 0.7130 0.3922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17004 5143SOL HW217002 3.661 4.735 1.242 -0.3089 0.2633 -0.0841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17005 5144SOL OW17003 3.218 3.789 0.456 -0.2350 -0.6392 0.0730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17006 5144SOL HW117004 3.292 3.775 0.390 0.2459 0.2921 0.3933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17007 5144SOL HW217005 3.245 3.859 0.522 -1.3517 -0.3812 0.2793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17008 5145SOL OW17006 2.593 4.416 1.035 0.4969 -0.2388 0.9526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17009 5145SOL HW117007 2.680 4.456 1.005 0.5885 -0.0538 1.4638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17010 5145SOL HW217008 2.518 4.477 1.009 0.6065 0.0945 1.4167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17011 5146SOL OW17009 3.550 4.040 1.680 0.7352 -0.1028 0.2619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17012 5146SOL HW117010 3.619 4.022 1.610 -0.1442 -0.7506 -0.4533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17013 5146SOL HW217011 3.542 3.961 1.740 0.6859 0.0165 0.4144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17014 5147SOL OW17012 3.730 4.626 1.573 0.6598 -0.1232 -0.3338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17015 5147SOL HW117013 3.742 4.719 1.606 2.3152 -0.2938 -0.3731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17016 5147SOL HW217014 3.725 4.626 1.473 3.6598 -0.2741 -0.5721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17017 5148SOL OW17015 2.897 4.840 0.121 -0.0887 -0.3894 0.0225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17018 5148SOL HW117016 2.838 4.861 0.199 1.4135 0.8808 0.8874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17019 5148SOL HW217017 2.943 4.753 0.136 -0.3611 -0.5058 0.1950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17020 5149SOL OW17018 2.588 5.304 0.864 0.2587 0.1921 -0.1193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17021 5149SOL HW117019 2.607 5.402 0.870 -0.8778 0.4120 0.1833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17022 5149SOL HW217020 2.572 5.268 0.956 -0.9405 0.0846 -0.3467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17023 5150SOL OW17021 2.821 4.549 0.983 0.3853 -0.2166 -0.4702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17024 5150SOL HW117022 2.919 4.528 0.984 0.6574 0.6992 -2.4117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17025 5150SOL HW217023 2.804 4.630 1.039 0.7173 -0.4660 -0.0041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17026 5151SOL OW17024 3.125 4.520 0.050 -0.1192 0.1521 -0.2865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17027 5151SOL HW117025 3.110 4.489 -0.044 0.7782 -0.3789 -0.2669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17028 5151SOL HW217026 3.184 4.602 0.049 0.3924 -0.2082 -0.1710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17029 5152SOL OW17027 3.803 5.268 0.642 0.0500 -0.3119 -0.2948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17030 5152SOL HW117028 3.714 5.227 0.621 -0.7522 1.9795 -1.7667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17031 5152SOL HW217029 3.866 5.252 0.567 -0.1128 0.6649 -0.6527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17032 5153SOL OW17030 2.124 5.005 1.707 -0.1583 0.1439 -0.4115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17033 5153SOL HW117031 2.070 4.939 1.655 -1.3717 1.9634 -1.5834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17034 5153SOL HW217032 2.071 5.035 1.787 -1.1131 2.1643 -1.7297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17035 5154SOL OW17033 2.152 4.955 0.704 0.7100 -0.0543 0.3107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17036 5154SOL HW117034 2.185 4.889 0.771 0.5755 -1.5071 -0.9908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17037 5154SOL HW217035 2.082 4.912 0.647 1.5755 0.7684 -1.4500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17038 5155SOL OW17036 2.603 5.270 1.470 -0.6349 -0.3266 -0.0978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17039 5155SOL HW117037 2.547 5.346 1.437 -0.1822 0.3677 0.6840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17040 5155SOL HW217038 2.683 5.306 1.518 0.0881 -1.3065 -0.5326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17041 5156SOL OW17039 3.689 3.851 1.256 -0.0383 -0.3783 -0.2061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17042 5156SOL HW117040 3.673 3.770 1.312 -1.5852 -0.2545 -0.4238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17043 5156SOL HW217041 3.689 3.826 1.159 0.7376 -0.2944 -0.2368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17044 5157SOL OW17042 2.239 3.922 0.527 -0.3709 0.4134 -0.0635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17045 5157SOL HW117043 2.187 3.856 0.472 0.4082 -0.0902 -0.2133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17046 5157SOL HW217044 2.208 3.918 0.622 0.8333 -1.4496 0.3052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17047 5158SOL OW17045 3.762 4.923 0.915 0.3658 -0.0594 0.2105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17048 5158SOL HW117046 3.759 4.846 0.852 -1.2658 -0.1123 0.3162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17049 5158SOL HW217047 3.720 4.897 1.002 -0.5597 1.0423 0.1157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17050 5159SOL OW17048 2.207 4.213 1.282 0.0779 -0.0559 -0.4715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17051 5159SOL HW117049 2.258 4.148 1.339 1.3343 -1.4372 -3.0107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17052 5159SOL HW217050 2.223 4.193 1.186 -2.7429 1.5546 -1.3993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17053 5160SOL OW17051 2.791 5.190 0.721 -0.4611 -0.6791 0.1019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17054 5160SOL HW117052 2.716 5.247 0.754 0.1526 -0.6938 1.5919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17055 5160SOL HW217053 2.783 5.178 0.622 -2.2151 -0.3906 0.1808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17056 5161SOL OW17054 3.533 4.099 1.266 0.6681 0.3062 0.1574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17057 5161SOL HW117055 3.607 4.031 1.263 1.0303 0.7090 -0.2124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17058 5161SOL HW217056 3.523 4.133 1.359 0.7787 0.0611 0.2601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17059 5162SOL OW17057 2.866 3.576 0.954 -0.1395 -0.4186 -0.7717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17060 5162SOL HW117058 2.891 3.591 0.858 1.1726 3.4064 0.0100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17061 5162SOL HW217059 2.941 3.529 1.000 0.6755 0.6661 -0.9540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17062 5163SOL OW17060 2.838 4.900 0.399 -0.5140 0.1866 -0.0268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17063 5163SOL HW117061 2.742 4.876 0.409 -0.5452 -0.9629 -2.3188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17064 5163SOL HW217062 2.889 4.870 0.479 -1.9801 0.5761 1.1114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17065 5164SOL OW17063 2.425 5.127 1.065 -0.3691 0.5469 0.3058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17066 5164SOL HW117064 2.387 5.138 1.157 0.5986 -2.2499 1.1407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17067 5164SOL HW217065 2.524 5.140 1.068 -0.3164 0.3060 -0.3046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17068 5165SOL OW17066 3.301 3.756 0.055 0.4271 -0.0413 0.0771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17069 5165SOL HW117067 3.258 3.797 -0.026 -0.5752 -0.0654 0.5933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17070 5165SOL HW217068 3.238 3.692 0.097 -0.4311 2.3760 2.7842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17071 5166SOL OW17069 3.200 4.041 0.595 -0.1268 -0.0574 0.0095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17072 5166SOL HW117070 3.206 4.121 0.536 -2.3185 0.6747 0.6902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17073 5166SOL HW217071 3.114 4.044 0.646 0.1764 -2.3884 0.7440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17074 5167SOL OW17072 3.499 3.742 0.838 0.5370 0.5865 -0.3074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17075 5167SOL HW117073 3.414 3.700 0.870 0.6450 0.7998 0.2752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17076 5167SOL HW217074 3.490 3.841 0.840 0.7002 0.6045 -0.5174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17077 5168SOL OW17075 1.997 4.796 0.161 -0.3707 -0.1422 -0.1114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17078 5168SOL HW117076 2.074 4.833 0.109 -1.0341 0.1945 -0.8673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17079 5168SOL HW217077 1.997 4.696 0.156 0.1745 -0.1556 0.1268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17080 5169SOL OW17078 2.962 5.404 0.416 0.2051 0.1122 0.3266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17081 5169SOL HW117079 3.018 5.414 0.334 -0.4318 2.0385 0.0796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17082 5169SOL HW217080 2.886 5.342 0.397 1.3206 -1.2676 0.1950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17083 5170SOL OW17081 2.194 4.292 1.901 -0.2613 0.6587 -0.0424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17084 5170SOL HW117082 2.095 4.281 1.894 -0.1884 -2.1162 1.7773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17085 5170SOL HW217083 2.238 4.250 1.822 -0.4642 -1.2028 0.7991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17086 5171SOL OW17084 2.127 3.988 2.718 -0.1754 0.2708 0.2002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17087 5171SOL HW117085 2.162 4.013 2.809 0.4568 1.0732 -0.2498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17088 5171SOL HW217086 2.034 3.953 2.726 -0.7214 1.8383 0.9795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17089 5172SOL OW17087 3.712 4.190 2.102 -0.1819 -0.0676 0.2197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17090 5172SOL HW117088 3.681 4.216 2.011 -0.8207 1.3975 0.8211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17091 5172SOL HW217089 3.647 4.126 2.142 -2.0329 2.2129 1.0813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17092 5173SOL OW17090 1.976 5.191 2.592 -0.4748 0.0542 -0.4729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17093 5173SOL HW117091 1.943 5.226 2.504 -0.5938 -0.9091 -0.8304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17094 5173SOL HW217092 1.967 5.091 2.593 -2.1756 0.1621 1.3120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17095 5174SOL OW17093 2.193 4.473 3.526 -0.5142 -0.3022 -0.1833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17096 5174SOL HW117094 2.118 4.428 3.575 -0.4481 -0.8746 -0.6047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17097 5174SOL HW217095 2.280 4.428 3.549 -0.3462 0.1100 0.0001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17098 5175SOL OW17096 2.098 5.451 2.262 0.3520 0.2151 0.3740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17099 5175SOL HW117097 2.091 5.550 2.274 1.3014 0.0608 2.7612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17100 5175SOL HW217098 2.193 5.425 2.247 0.2761 -0.4084 0.8781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17101 5176SOL OW17099 2.290 5.148 2.291 -0.4500 0.0349 -0.0991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17102 5176SOL HW117100 2.253 5.140 2.384 -3.0684 0.8785 -0.9808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17103 5176SOL HW217101 2.278 5.242 2.259 -2.3606 -0.8630 -2.3126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17104 5177SOL OW17102 3.551 5.297 2.160 -0.6565 0.7399 -0.5522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17105 5177SOL HW117103 3.585 5.241 2.235 -0.4373 0.9102 -0.5229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17106 5177SOL HW217104 3.603 5.382 2.156 -1.1889 1.0777 -0.4027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17107 5178SOL OW17105 1.888 5.302 1.798 -0.1382 0.4079 -0.3464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17108 5178SOL HW117106 1.845 5.212 1.799 -0.4942 0.5809 -0.0627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17109 5178SOL HW217107 1.876 5.346 1.887 0.4113 0.5594 -0.3437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17110 5179SOL OW17108 1.971 4.274 3.318 -0.8146 0.5339 -0.7918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17111 5179SOL HW117109 2.068 4.294 3.304 -0.5267 0.2438 0.6549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17112 5179SOL HW217110 1.927 4.350 3.365 -1.1596 0.4094 -0.9094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17113 5180SOL OW17111 2.622 3.760 2.369 -0.3276 -0.5214 0.0006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17114 5180SOL HW117112 2.568 3.728 2.447 -0.1615 -0.5999 0.0848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17115 5180SOL HW217113 2.561 3.800 2.300 -0.3700 0.9871 0.8473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17116 5181SOL OW17114 3.387 4.498 2.093 0.5074 -0.4193 -0.3326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17117 5181SOL HW117115 3.367 4.405 2.123 -1.9775 -0.0083 -0.4598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17118 5181SOL HW217116 3.457 4.538 2.152 -0.2141 -1.5205 1.3438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17119 5182SOL OW17117 2.261 3.813 3.754 -0.2717 -0.2619 -0.4343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17120 5182SOL HW117118 2.213 3.901 3.753 0.3230 0.0679 -0.8590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17121 5182SOL HW217119 2.328 3.810 3.679 -1.7117 -1.9156 -1.7238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17122 5183SOL OW17120 3.322 5.336 2.048 0.2541 -0.0095 -0.5951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17123 5183SOL HW117121 3.402 5.342 2.108 0.6238 0.2746 -1.1070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17124 5183SOL HW217122 3.339 5.267 1.977 0.2432 0.3939 -0.9940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17125 5184SOL OW17123 2.715 3.971 3.330 -0.0146 0.5460 -0.0851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17126 5184SOL HW117124 2.705 3.872 3.342 -0.7532 0.7785 1.3198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17127 5184SOL HW217125 2.763 3.988 3.244 -1.0861 -0.9849 -1.0446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17128 5185SOL OW17126 1.904 5.571 3.588 0.1611 0.2490 -0.0474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17129 5185SOL HW117127 1.935 5.517 3.666 0.8130 0.4380 -0.1662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17130 5185SOL HW217128 1.852 5.650 3.621 -2.0642 -1.1907 0.0716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17131 5186SOL OW17129 2.017 5.559 2.557 -0.0233 -0.2695 -0.3407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17132 5186SOL HW117130 2.042 5.498 2.632 -0.7248 -2.0611 -1.5002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17133 5186SOL HW217131 2.075 5.541 2.478 -0.9704 -0.2292 -1.0653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17134 5187SOL OW17132 2.212 4.569 1.867 -0.2448 0.6682 -0.7144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17135 5187SOL HW117133 2.276 4.596 1.795 -1.0883 -0.3766 -1.9009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17136 5187SOL HW217134 2.237 4.479 1.902 1.9271 2.3039 2.4835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17137 5188SOL OW17135 2.906 5.193 1.941 0.1178 0.4327 -0.2838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17138 5188SOL HW117136 2.871 5.278 1.981 1.0824 0.7670 -0.1233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17139 5188SOL HW217137 2.993 5.211 1.895 1.8704 -0.9664 2.2220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17140 5189SOL OW17138 2.327 4.108 3.291 0.4344 -0.2165 0.6479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17141 5189SOL HW117139 2.281 4.197 3.287 -1.2025 -1.0593 -2.5870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17142 5189SOL HW217140 2.425 4.121 3.277 0.2653 1.0947 0.5205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17143 5190SOL OW17141 3.560 4.981 1.858 -0.2350 -0.3215 -0.0393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17144 5190SOL HW117142 3.472 5.026 1.870 -0.7623 -1.6383 1.3536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17145 5190SOL HW217143 3.553 4.886 1.887 1.2886 -0.8505 -1.2658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17146 5191SOL OW17144 2.359 5.435 2.265 0.1558 -0.2096 0.2130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17147 5191SOL HW117145 2.367 5.522 2.312 1.5062 -0.4511 0.4770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17148 5191SOL HW217146 2.450 5.401 2.242 -0.3991 -0.9332 -1.0409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17149 5192SOL OW17147 2.100 5.368 2.734 -0.6083 -0.2275 -0.4274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17150 5192SOL HW117148 2.165 5.340 2.805 -0.5877 -1.9889 -1.0889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17151 5192SOL HW217149 2.065 5.287 2.687 -1.4524 0.8340 -1.7090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17152 5193SOL OW17150 2.199 4.339 2.163 0.1061 -0.1689 -0.0078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17153 5193SOL HW117151 2.193 4.248 2.202 -2.7496 -0.4955 -1.0067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17154 5193SOL HW217152 2.194 4.334 2.063 1.7441 0.9985 -0.1986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17155 5194SOL OW17153 2.853 4.090 1.983 -0.6227 0.1849 0.1339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17156 5194SOL HW117154 2.840 4.137 1.896 2.0019 -0.3527 -0.6246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17157 5194SOL HW217155 2.811 3.999 1.978 -1.2791 0.4990 -0.2168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17158 5195SOL OW17156 2.704 3.784 3.603 0.2899 -0.1437 -0.8912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17159 5195SOL HW117157 2.753 3.759 3.520 -0.8403 -0.3850 -1.5143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17160 5195SOL HW217158 2.768 3.820 3.671 1.2356 0.0047 -1.8442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17161 5196SOL OW17159 2.418 3.847 2.231 -0.4325 0.3874 -0.3318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17162 5196SOL HW117160 2.358 3.886 2.301 -0.0158 0.7045 -0.1506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17163 5196SOL HW217161 2.396 3.886 2.142 0.3728 1.4898 -0.0636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17164 5197SOL OW17162 3.212 4.638 1.955 0.7707 -0.2581 -0.0297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17165 5197SOL HW117163 3.288 4.588 1.996 -0.0887 -0.8126 0.9423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17166 5197SOL HW217164 3.126 4.594 1.981 -0.0288 1.7004 0.8602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17167 5198SOL OW17165 2.118 3.575 1.855 0.2224 0.0678 0.0553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17168 5198SOL HW117166 2.023 3.545 1.865 -0.0879 1.0020 -0.0486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17169 5198SOL HW217167 2.177 3.513 1.907 -0.3697 -0.8731 -0.3587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17170 5199SOL OW17168 2.595 4.354 1.581 0.6386 0.0000 -0.3307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17171 5199SOL HW117169 2.635 4.269 1.613 -0.6364 -0.2830 0.6043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17172 5199SOL HW217170 2.631 4.376 1.490 1.4745 -1.1823 -0.3068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17173 5200SOL OW17171 1.756 4.353 3.133 0.3012 -0.1231 -0.6021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17174 5200SOL HW117172 1.838 4.319 3.178 -0.2498 -0.6381 0.0224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17175 5200SOL HW217173 1.762 4.453 3.124 2.0458 -0.3264 -2.6814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17176 5201SOL OW17174 2.431 3.768 2.899 -0.2444 -0.1392 0.2208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17177 5201SOL HW117175 2.479 3.739 2.982 -0.3858 -0.6150 0.1338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17178 5201SOL HW217176 2.363 3.838 2.923 -0.4663 -0.4660 0.5423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17179 5202SOL OW17177 3.755 4.429 2.227 -0.2946 -0.2524 -0.1613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17180 5202SOL HW117178 3.676 4.487 2.247 -0.9373 -1.6838 1.8453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17181 5202SOL HW217179 3.729 4.333 2.242 1.2044 -0.9275 -1.6988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17182 5203SOL OW17180 2.411 5.493 1.661 -0.1206 -0.4579 0.1661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17183 5203SOL HW117181 2.409 5.507 1.562 -2.4887 -2.8341 -0.2360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17184 5203SOL HW217182 2.318 5.485 1.696 0.6860 -0.8892 2.4049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17185 5204SOL OW17183 3.381 4.120 1.929 -0.6621 0.0068 0.2693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17186 5204SOL HW117184 3.475 4.146 1.909 -0.9519 -0.8985 -2.7793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17187 5204SOL HW217185 3.320 4.163 1.863 -2.4311 0.5926 2.2015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17188 5205SOL OW17186 2.481 4.164 1.930 0.1239 0.2280 0.8428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17189 5205SOL HW117187 2.566 4.192 1.886 -0.3492 -0.6239 -0.6987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17190 5205SOL HW217188 2.406 4.221 1.896 -0.5726 -1.6938 -1.0679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17191 5206SOL OW17189 1.911 5.325 3.154 0.1644 -0.2951 -0.8045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17192 5206SOL HW117190 1.928 5.394 3.083 0.2191 -0.7884 -1.2801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17193 5206SOL HW217191 1.916 5.234 3.113 0.6732 -0.6068 -0.0716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17194 5207SOL OW17192 3.568 4.600 2.254 -0.5070 0.0078 -0.0494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17195 5207SOL HW117193 3.505 4.585 2.330 -0.9717 1.5099 -0.1032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17196 5207SOL HW217194 3.578 4.698 2.237 -2.0934 -0.2301 -3.2390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17197 5208SOL OW17195 2.005 5.059 3.060 0.0209 -0.2794 -0.0057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17198 5208SOL HW117196 1.955 5.084 2.977 0.1635 -1.1604 -0.3788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17199 5208SOL HW217197 2.103 5.078 3.046 -0.1730 1.3658 0.6924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17200 5209SOL OW17198 2.171 4.436 3.223 0.5519 0.2264 -0.0087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17201 5209SOL HW117199 2.222 4.483 3.150 -0.1139 -0.7907 -1.1703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17202 5209SOL HW217200 2.177 4.490 3.307 3.4680 0.2069 -0.0926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17203 5210SOL OW17201 2.443 3.826 3.547 0.4481 0.2472 0.3448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17204 5210SOL HW117202 2.420 3.842 3.451 -1.2547 0.0051 0.6778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17205 5210SOL HW217203 2.542 3.811 3.556 0.4339 -1.4616 -1.6058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17206 5211SOL OW17204 2.258 4.006 2.979 -0.4918 0.2558 -0.7912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17207 5211SOL HW117205 2.213 4.096 2.984 0.5086 0.7645 -0.6993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17208 5211SOL HW217206 2.222 3.947 3.051 -0.7637 0.7682 -0.5000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17209 5212SOL OW17207 1.884 4.906 3.239 -0.5332 -0.1098 -0.1250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17210 5212SOL HW117208 1.893 4.978 3.171 -1.7594 -0.4282 -0.6484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17211 5212SOL HW217209 1.813 4.930 3.305 -0.1269 -0.3106 0.3974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17212 5213SOL OW17210 2.060 3.780 2.343 -0.7600 0.3958 0.3325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17213 5213SOL HW117211 1.972 3.779 2.392 0.4764 -0.2061 2.7091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17214 5213SOL HW217212 2.126 3.833 2.396 1.1744 -1.8279 0.2627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17215 5214SOL OW17213 2.105 4.751 3.556 -0.0170 -0.4284 0.2120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17216 5214SOL HW117214 2.148 4.662 3.566 0.6026 -0.1844 -0.1550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17217 5214SOL HW217215 2.106 4.777 3.459 0.1024 0.1099 0.3530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17218 5215SOL OW17216 3.273 3.809 1.898 0.4081 0.2212 -0.2032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17219 5215SOL HW117217 3.245 3.902 1.919 -0.2754 -0.2452 1.0613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17220 5215SOL HW217218 3.234 3.746 1.965 1.0977 -0.9479 -0.8538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17221 5216SOL OW17219 3.065 4.319 1.415 -0.4124 0.2380 0.1357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17222 5216SOL HW117220 3.016 4.265 1.346 -2.4208 0.4695 1.3077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17223 5216SOL HW217221 3.153 4.275 1.436 -1.0984 -1.4700 -0.4051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17224 5217SOL OW17222 1.913 5.010 2.068 0.2045 -0.1354 0.0946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17225 5217SOL HW117223 1.857 5.056 1.999 -1.0055 1.4658 2.0605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17226 5217SOL HW217224 1.872 4.922 2.091 0.0001 -0.1742 -0.3903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17227 5218SOL OW17225 1.844 5.661 2.719 0.0668 -0.1348 0.5271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17228 5218SOL HW117226 1.776 5.724 2.681 0.0712 0.1852 1.0342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17229 5218SOL HW217227 1.904 5.629 2.646 0.2662 0.6987 0.3145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17230 5219SOL OW17228 1.782 4.352 3.802 -0.0683 -0.3357 0.2538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17231 5219SOL HW117229 1.751 4.258 3.816 0.0176 -0.1494 1.8063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17232 5219SOL HW217230 1.733 4.391 3.724 0.1576 -1.7646 -0.6439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17233 5220SOL OW17231 2.317 5.233 3.493 -0.3883 -0.8222 -0.1102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17234 5220SOL HW117232 2.364 5.315 3.460 1.8663 -1.2670 1.6841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17235 5220SOL HW217233 2.299 5.243 3.591 -0.3227 -2.3270 0.0758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17236 5221SOL OW17234 2.485 3.945 1.687 -0.2304 0.0318 0.0455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17237 5221SOL HW117235 2.457 3.951 1.782 -0.4404 0.7734 -0.0589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17238 5221SOL HW217236 2.564 4.004 1.671 0.1778 -0.5431 -0.1108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17239 5222SOL OW17237 2.960 4.452 2.211 -0.3576 -0.2176 0.2035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17240 5222SOL HW117238 2.942 4.444 2.309 -1.3246 4.2915 0.6004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17241 5222SOL HW217239 3.043 4.506 2.196 -0.1614 -0.9293 -1.5091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17242 5223SOL OW17240 1.796 4.979 2.835 -0.2478 -0.1695 -0.0423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17243 5223SOL HW117241 1.765 5.018 2.921 2.3000 -0.7899 1.2472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17244 5223SOL HW217242 1.734 4.906 2.807 -0.5432 -0.6726 1.8371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17245 5224SOL OW17243 2.020 5.414 3.776 0.8249 0.1293 0.4442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17246 5224SOL HW117244 1.938 5.379 3.820 0.5720 0.3185 0.1297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17247 5224SOL HW217245 2.091 5.344 3.777 0.1817 -0.5612 -0.5752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17248 5225SOL OW17246 2.642 5.460 1.805 -0.0181 0.3157 0.2094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17249 5225SOL HW117247 2.725 5.458 1.748 -0.0935 -1.3011 0.1297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17250 5225SOL HW217248 2.561 5.453 1.746 -0.1022 -1.1887 0.4623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17251 5226SOL OW17249 2.227 3.935 2.478 0.3341 -0.3813 0.0958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17252 5226SOL HW117250 2.180 3.956 2.564 -0.1761 0.0564 -0.2820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17253 5226SOL HW217251 2.326 3.939 2.492 0.3168 2.7091 -0.0313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17254 5227SOL OW17252 3.109 5.299 1.790 -0.1330 0.0065 0.3782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17255 5227SOL HW117253 3.097 5.309 1.691 -0.4745 1.3655 0.5438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17256 5227SOL HW217254 3.162 5.376 1.825 0.8600 -0.9764 1.1228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17257 5228SOL OW17255 3.405 5.214 1.792 0.1097 0.0929 0.0894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17258 5228SOL HW117256 3.322 5.171 1.757 0.5724 0.3125 -1.3204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17259 5228SOL HW217257 3.472 5.222 1.719 1.3123 0.1052 1.1645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17260 5229SOL OW17258 2.323 4.779 1.993 0.1612 -0.6018 0.7379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17261 5229SOL HW117259 2.284 4.710 1.933 -0.7476 -0.2585 0.9228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17262 5229SOL HW217260 2.275 4.865 1.981 -2.2587 -1.2487 4.1563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17263 5230SOL OW17261 2.169 4.992 2.106 -0.1072 -0.0827 0.4675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17264 5230SOL HW117262 2.070 5.009 2.100 0.0463 0.8777 0.5026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17265 5230SOL HW217263 2.210 5.058 2.168 1.0327 1.5716 -1.9031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17266 5231SOL OW17264 2.097 4.963 3.737 -0.3316 -0.2737 0.3870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17267 5231SOL HW117265 2.103 4.935 3.832 -0.2955 -0.2798 0.3832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17268 5231SOL HW217266 2.119 4.884 3.678 -0.1219 -0.2085 0.3774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17269 5232SOL OW17267 2.678 3.723 3.161 -0.0641 -0.0861 -0.1398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17270 5232SOL HW117268 2.730 3.638 3.161 0.6823 0.3660 0.1770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17271 5232SOL HW217269 2.729 3.794 3.114 -0.4764 0.3167 0.0111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17272 5233SOL OW17270 1.896 3.951 1.772 -0.0313 0.2350 0.5129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17273 5233SOL HW117271 1.880 4.030 1.714 0.5201 0.5509 0.7809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17274 5233SOL HW217272 1.815 3.892 1.771 0.3417 -0.3136 -1.3933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17275 5234SOL OW17273 2.124 3.856 1.894 0.1763 -0.3256 -0.3365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17276 5234SOL HW117274 2.053 3.901 1.840 -1.2111 -0.8504 0.9758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17277 5234SOL HW217275 2.125 3.758 1.874 3.1055 0.1175 -3.0957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17278 5235SOL OW17276 2.476 4.409 3.527 -0.9464 -0.0161 1.1474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17279 5235SOL HW117277 2.498 4.319 3.490 1.4621 0.7590 0.5348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17280 5235SOL HW217278 2.458 4.473 3.451 0.9311 0.8422 1.3817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17281 5236SOL OW17279 2.025 5.438 3.370 0.2582 -0.5564 0.5400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17282 5236SOL HW117280 1.948 5.457 3.430 -0.5010 1.0023 -0.8346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17283 5236SOL HW217281 1.997 5.372 3.300 -0.9731 2.2188 -1.8330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17284 5237SOL OW17282 2.763 5.153 1.720 -0.9145 0.1757 0.2888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17285 5237SOL HW117283 2.790 5.171 1.814 -1.5969 0.7613 0.3814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17286 5237SOL HW217284 2.747 5.239 1.672 1.2560 -0.0174 -0.9428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17287 5238SOL OW17285 2.971 4.339 1.704 -0.4332 -0.2255 -0.4441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17288 5238SOL HW117286 2.948 4.399 1.628 -0.0185 1.0967 0.4375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17289 5238SOL HW217287 2.904 4.265 1.710 -0.4275 -0.4152 -2.1179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17290 5239SOL OW17288 2.191 5.207 3.742 0.2885 0.1182 -0.4354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17291 5239SOL HW117289 2.153 5.120 3.709 0.8345 -0.2447 -0.1297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17292 5239SOL HW217290 2.194 5.205 3.842 1.5040 -0.0382 -0.4651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17293 5240SOL OW17291 2.154 4.116 2.279 -0.2674 0.8391 -0.2616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17294 5240SOL HW117292 2.106 4.046 2.227 -0.5096 0.5315 0.3696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17295 5240SOL HW217293 2.180 4.080 2.368 0.5645 1.2082 -0.3411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17296 5241SOL OW17294 2.857 3.538 3.070 0.6920 0.3087 0.1217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17297 5241SOL HW117295 2.911 3.584 2.999 2.6137 -0.9876 0.6652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17298 5241SOL HW217296 2.916 3.515 3.147 -0.6161 -1.3300 0.7004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17299 5242SOL OW17297 3.124 3.959 2.159 0.0593 -0.0311 0.2255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17300 5242SOL HW117298 3.056 3.902 2.113 -1.5105 1.5270 0.5086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17301 5242SOL HW217299 3.081 4.044 2.189 2.4004 1.5154 -0.5680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17302 5243SOL OW17300 2.056 4.750 2.188 0.4316 0.1507 -0.5415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17303 5243SOL HW117301 2.106 4.823 2.142 1.5949 0.6443 1.3672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17304 5243SOL HW217302 2.120 4.688 2.233 -0.6085 -0.3134 0.3660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17305 5244SOL OW17303 2.799 5.436 2.031 0.3301 -0.4131 0.0591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17306 5244SOL HW117304 2.742 5.470 1.957 0.1407 -1.3240 -0.2298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17307 5244SOL HW217305 2.741 5.409 2.109 0.5542 0.9080 0.7069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17308 5245SOL OW17306 1.928 4.506 3.964 0.5070 0.3176 -0.0189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17309 5245SOL HW117307 1.874 4.457 4.033 1.1477 -0.2754 0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17310 5245SOL HW217308 1.882 4.498 3.875 -0.7524 1.7745 0.4613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17311 5246SOL OW17309 2.110 3.947 4.636 0.2510 0.4749 0.5496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17312 5246SOL HW117310 2.154 3.858 4.626 0.2127 0.4598 0.5169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17313 5246SOL HW217311 2.012 3.934 4.647 0.2776 0.4962 0.8293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17314 5247SOL OW17312 1.801 3.884 4.361 -0.2226 0.3371 0.1836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17315 5247SOL HW117313 1.777 3.955 4.427 -1.0039 -1.3629 1.8330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17316 5247SOL HW217314 1.719 3.858 4.310 -0.7816 -1.6902 1.9945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17317 5248SOL OW17315 2.325 5.201 4.883 0.2565 0.0172 -0.6106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17318 5248SOL HW117316 2.355 5.273 4.945 -0.4017 0.8517 -1.2443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17319 5248SOL HW217317 2.316 5.237 4.790 1.8372 -1.3582 -1.3551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17320 5249SOL OW17318 2.837 4.294 4.445 -0.8504 -0.6483 0.2705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17321 5249SOL HW117319 2.873 4.387 4.441 0.3122 -1.1232 -0.9735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17322 5249SOL HW217320 2.746 4.292 4.404 0.1135 -0.4586 -2.0300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17323 5250SOL OW17321 2.549 5.007 4.590 0.5234 0.8435 -0.4275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17324 5250SOL HW117322 2.642 4.981 4.565 0.0002 -1.3468 -0.3247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17325 5250SOL HW217323 2.546 5.029 4.687 0.6432 -0.6824 -0.0644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17326 5251SOL OW17324 2.871 4.480 5.257 -0.0108 0.4894 -0.7850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17327 5251SOL HW117325 2.870 4.555 5.324 -1.8621 0.4796 -0.7361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17328 5251SOL HW217326 2.806 4.501 5.183 -0.8540 -1.2081 -0.5721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17329 5252SOL OW17327 2.485 4.550 4.369 0.4223 0.0055 0.0740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17330 5252SOL HW117328 2.540 4.610 4.427 0.1725 -0.4649 0.8180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17331 5252SOL HW217329 2.414 4.603 4.324 0.8136 0.4312 -0.0490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17332 5253SOL OW17330 2.526 4.884 5.305 0.2834 0.3155 0.2578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17333 5253SOL HW117331 2.577 4.897 5.390 -0.5057 0.0380 0.7826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17334 5253SOL HW217332 2.480 4.969 5.281 1.2287 0.6598 -0.3870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17335 5254SOL OW17333 2.074 5.112 4.934 -0.0042 -0.0349 0.8102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17336 5254SOL HW117334 2.166 5.135 4.903 -0.1763 -1.4783 -0.9843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17337 5254SOL HW217335 2.007 5.159 4.876 -0.3374 -1.7270 -0.2681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17338 5255SOL OW17336 3.174 5.489 4.930 0.4158 0.3954 -0.2889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17339 5255SOL HW117337 3.266 5.524 4.948 1.2915 -1.5319 -0.7799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17340 5255SOL HW217338 3.131 5.463 5.017 0.7155 0.3707 -0.1480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17341 5256SOL OW17339 2.146 4.139 5.046 -0.1015 -0.2461 -0.6004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17342 5256SOL HW117340 2.217 4.098 5.103 -0.9789 0.4065 1.0347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17343 5256SOL HW217341 2.160 4.113 4.951 1.3136 -1.5289 -0.0765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17344 5257SOL OW17342 2.011 5.593 4.150 0.2795 0.5894 -0.0002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17345 5257SOL HW117343 1.935 5.568 4.210 0.0814 0.2672 -0.3832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17346 5257SOL HW217344 2.082 5.639 4.203 -0.5865 1.7286 0.2104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17347 5258SOL OW17345 2.961 5.170 5.228 -0.1451 0.2397 -0.2545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17348 5258SOL HW117346 3.038 5.115 5.261 -0.9070 -0.0261 1.1645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17349 5258SOL HW217347 2.880 5.111 5.218 -1.1371 1.1420 1.8699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17350 5259SOL OW17348 2.048 5.306 4.144 -0.0357 0.2710 -0.1716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17351 5259SOL HW117349 2.045 5.406 4.142 -1.4745 0.2389 -0.0546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17352 5259SOL HW217350 1.975 5.272 4.203 -0.4754 -0.8989 -1.3747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17353 5260SOL OW17351 2.100 4.888 4.560 -0.2679 0.3506 0.5416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17354 5260SOL HW117352 2.191 4.851 4.577 0.3158 1.0913 -0.8248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17355 5260SOL HW217353 2.033 4.842 4.619 1.1729 0.7876 2.6537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17356 5261SOL OW17354 2.544 5.603 5.238 -0.2667 -0.3995 -0.1597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17357 5261SOL HW117355 2.453 5.625 5.271 -0.3772 1.5920 -1.5911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17358 5261SOL HW217356 2.581 5.681 5.188 2.1477 -1.2369 0.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17359 5262SOL OW17357 3.449 4.140 5.288 -0.0569 0.5882 0.2133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17360 5262SOL HW117358 3.396 4.123 5.205 0.8578 0.1734 -0.3015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17361 5262SOL HW217359 3.498 4.227 5.279 0.5035 0.2638 0.0624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17362 5263SOL OW17360 2.206 4.202 4.169 0.2913 -1.2265 0.1707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17363 5263SOL HW117361 2.211 4.142 4.248 1.0223 -0.4559 0.7373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17364 5263SOL HW217362 2.126 4.261 4.177 -0.0941 -1.7104 -0.0855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17365 5264SOL OW17363 3.764 5.455 4.203 0.0387 0.2319 0.0984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17366 5264SOL HW117364 3.855 5.418 4.224 -0.5286 -1.0103 0.5241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17367 5264SOL HW217365 3.760 5.480 4.107 0.5523 -0.5890 -0.1536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17368 5265SOL OW17366 1.777 5.281 3.905 -0.3130 -0.0390 -0.2422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17369 5265SOL HW117367 1.703 5.337 3.868 2.3986 1.9203 -3.2270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17370 5265SOL HW217368 1.801 5.314 3.996 -3.3998 -1.1906 1.1373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17371 5266SOL OW17369 1.932 4.509 4.851 -0.3815 -0.0460 -0.4014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17372 5266SOL HW117370 2.030 4.494 4.868 0.2990 2.2253 -1.9249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17373 5266SOL HW217371 1.893 4.560 4.928 -0.1197 -0.0558 -0.2590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17374 5267SOL OW17372 2.478 5.195 4.137 -0.0375 -0.5127 -0.3196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17375 5267SOL HW117373 2.443 5.178 4.230 0.7738 -1.8359 -0.2244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17376 5267SOL HW217374 2.415 5.156 4.070 0.5967 -1.8133 -0.1962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17377 5268SOL OW17375 3.078 5.014 4.873 -0.2532 0.6460 0.1192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17378 5268SOL HW117376 3.022 4.937 4.841 -0.9792 0.9924 0.5218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17379 5268SOL HW217377 3.132 4.985 4.952 -1.6960 0.9467 1.2541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17380 5269SOL OW17378 2.185 4.814 5.170 -0.0726 0.6755 0.3984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17381 5269SOL HW117379 2.233 4.727 5.177 1.7882 1.5352 -0.8414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17382 5269SOL HW217380 2.119 4.810 5.095 0.0317 0.3460 0.3237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17383 5270SOL OW17381 3.019 5.665 5.296 0.1714 0.0275 0.1242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17384 5270SOL HW117382 2.967 5.727 5.238 0.9759 1.2627 0.6771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17385 5270SOL HW217383 3.013 5.572 5.259 0.1476 0.6613 -1.5674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17386 5271SOL OW17384 2.108 4.185 5.700 0.2562 0.0279 0.6492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17387 5271SOL HW117385 2.115 4.259 5.767 1.4288 -0.4212 1.0577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17388 5271SOL HW217386 2.015 4.182 5.662 0.1693 1.6376 0.6792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17389 5272SOL OW17387 3.509 5.374 4.310 0.4502 0.1866 -0.0192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17390 5272SOL HW117388 3.590 5.409 4.263 0.1531 2.8143 1.2805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17391 5272SOL HW217389 3.528 5.281 4.342 2.5293 0.3172 -0.6864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17392 5273SOL OW17390 2.303 4.393 3.986 -0.4169 0.1096 -0.3956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17393 5273SOL HW117391 2.399 4.418 3.979 -0.7231 1.1536 -1.1780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17394 5273SOL HW217392 2.291 4.323 4.056 0.8373 0.3418 0.0638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17395 5274SOL OW17393 2.334 4.370 5.156 -0.0895 -0.1444 -0.0242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17396 5274SOL HW117394 2.297 4.284 5.192 0.1506 0.1368 0.9213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17397 5274SOL HW217395 2.394 4.350 5.079 1.3826 -1.0166 1.2758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17398 5275SOL OW17396 3.161 4.314 5.322 -0.2890 0.6399 -0.5346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17399 5275SOL HW117397 3.183 4.303 5.419 0.2978 0.5797 -0.6718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17400 5275SOL HW217398 3.090 4.384 5.312 -0.4018 0.6029 -0.0610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17401 5276SOL OW17399 2.688 4.551 5.059 -0.2801 -0.1062 0.0869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17402 5276SOL HW117400 2.629 4.477 5.025 -0.0932 -0.3531 0.2930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17403 5276SOL HW217401 2.681 4.630 4.998 -1.2743 0.0803 0.4259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17404 5277SOL OW17402 2.933 4.222 3.769 0.6403 0.2615 0.0054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17405 5277SOL HW117403 2.857 4.180 3.720 2.1651 -0.0851 -2.2458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17406 5277SOL HW217404 3.005 4.154 3.783 1.1812 0.9514 0.6887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17407 5278SOL OW17405 1.952 4.335 4.384 0.3551 -0.2573 -0.1910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17408 5278SOL HW117406 2.036 4.386 4.405 1.3759 -2.4089 1.3356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17409 5278SOL HW217407 1.913 4.301 4.469 -0.2046 -2.1130 -1.1536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17410 5279SOL OW17408 1.858 5.632 5.353 0.0369 -0.3064 -0.0950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17411 5279SOL HW117409 1.775 5.664 5.400 0.9373 1.6148 0.2975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17412 5279SOL HW217410 1.833 5.573 5.277 -1.6790 0.0321 0.1691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17413 5280SOL OW17411 3.742 4.221 5.441 0.6288 0.1596 -0.4528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17414 5280SOL HW117412 3.695 4.288 5.383 -0.7356 -0.2722 0.1226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17415 5280SOL HW217413 3.700 4.131 5.430 1.9003 -0.4439 -0.5713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17416 5281SOL OW17414 2.737 5.144 4.104 -0.8158 0.0561 0.5603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17417 5281SOL HW117415 2.763 5.213 4.036 0.7170 0.4484 1.4729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17418 5281SOL HW217416 2.638 5.139 4.112 -1.0460 -0.2932 -1.9681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17419 5282SOL OW17417 2.142 5.405 4.677 -0.3870 0.0593 -0.2988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17420 5282SOL HW117418 2.116 5.316 4.639 0.7549 -0.3436 -0.1685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17421 5282SOL HW217419 2.233 5.430 4.644 0.9300 -0.5658 2.5679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17422 5283SOL OW17420 3.453 4.688 4.553 0.5205 -0.2049 -0.3030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17423 5283SOL HW117421 3.435 4.602 4.506 2.4600 -0.3654 -0.8429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17424 5283SOL HW217422 3.373 4.714 4.608 -0.6351 -1.5851 -1.2655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17425 5284SOL OW17423 2.998 5.426 5.142 -0.1278 -0.1599 -0.1783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17426 5284SOL HW117424 2.984 5.333 5.176 -0.0267 -1.0225 -2.3552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17427 5284SOL HW217425 2.936 5.445 5.066 -0.3922 1.7005 0.4454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17428 5285SOL OW17426 2.166 4.648 3.991 -0.2550 -0.3221 0.4426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17429 5285SOL HW117427 2.234 4.577 3.971 0.0797 0.2555 -0.5437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17430 5285SOL HW217428 2.074 4.610 3.979 -0.1637 -1.2767 2.3691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17431 5286SOL OW17429 2.539 5.177 5.281 0.0926 -0.0175 0.0609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17432 5286SOL HW117430 2.439 5.185 5.270 -0.3905 -1.7512 2.3633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17433 5286SOL HW217431 2.572 5.254 5.335 0.0908 0.7343 -0.9772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17434 5287SOL OW17432 1.963 4.047 5.322 0.0130 -0.1758 -0.1641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17435 5287SOL HW117433 1.991 4.107 5.247 0.0331 -0.1598 -0.1434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17436 5287SOL HW217434 1.866 4.060 5.341 0.5968 1.9044 1.7172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17437 5288SOL OW17435 2.280 5.607 4.281 -0.5909 -0.3701 0.4778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17438 5288SOL HW117436 2.287 5.705 4.262 -2.9060 -0.2280 0.0557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17439 5288SOL HW217437 2.308 5.555 4.200 -0.4626 -0.0330 0.3039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17440 5289SOL OW17438 2.048 5.643 4.973 -0.5371 0.0353 0.0798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17441 5289SOL HW117439 2.049 5.566 5.037 0.6682 -0.6869 -0.7759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17442 5289SOL HW217440 2.000 5.617 4.890 -0.7385 0.4552 0.0595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17443 5290SOL OW17441 2.840 5.387 4.446 0.0042 0.4226 0.3781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17444 5290SOL HW117442 2.886 5.306 4.482 -0.8536 -0.2345 0.0288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17445 5290SOL HW217443 2.804 5.367 4.354 -1.2605 0.8031 0.7769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17446 5291SOL OW17444 2.179 3.989 3.972 -0.4535 -0.6941 0.5412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17447 5291SOL HW117445 2.144 4.024 3.885 1.7287 -0.4629 -0.2956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17448 5291SOL HW217446 2.166 4.058 4.043 0.5945 0.4215 -0.3114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17449 5292SOL OW17447 3.117 3.917 5.478 -0.2961 -0.4886 -0.3796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17450 5292SOL HW117448 3.185 3.914 5.551 0.0174 1.4693 -0.5221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17451 5292SOL HW217449 3.132 3.842 5.414 1.8824 0.0046 -0.5139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17452 5293SOL OW17450 2.657 3.929 5.418 -0.0656 -0.0417 0.4102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17453 5293SOL HW117451 2.732 3.892 5.473 0.4581 -0.7599 -0.7450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17454 5293SOL HW217452 2.570 3.901 5.458 0.3159 -1.6897 0.1552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17455 5294SOL OW17453 2.435 5.662 4.869 -0.1583 -0.2646 -0.2398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17456 5294SOL HW117454 2.364 5.732 4.871 0.8176 0.7446 -0.3393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17457 5294SOL HW217455 2.450 5.632 4.774 1.2970 1.3662 -0.5633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17458 5295SOL OW17456 2.405 5.173 4.407 -0.0001 -0.7911 -0.2390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17459 5295SOL HW117457 2.431 5.264 4.438 0.7223 -0.6379 -1.2350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17460 5295SOL HW217458 2.449 5.104 4.465 1.3200 -0.5126 -0.8551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17461 5296SOL OW17459 2.298 3.746 4.608 0.4119 -0.4767 -0.3612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17462 5296SOL HW117460 2.298 3.767 4.510 1.3463 -0.7933 -0.4359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17463 5296SOL HW217461 2.380 3.784 4.651 0.1093 -0.5127 0.2624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17464 5297SOL OW17462 3.032 5.201 4.420 0.3375 0.0410 0.5343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17465 5297SOL HW117463 3.077 5.276 4.373 -0.2490 -0.7423 -1.3786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17466 5297SOL HW217464 3.059 5.114 4.378 -1.7190 -0.5478 0.2947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17467 5298SOL OW17465 2.308 4.740 4.250 0.1879 -0.3355 0.1170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17468 5298SOL HW117466 2.273 4.833 4.249 -0.5397 -0.6114 -0.4166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17469 5298SOL HW217467 2.288 4.695 4.163 0.8310 -0.8843 0.2419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17470 5299SOL OW17468 3.164 5.679 4.287 -1.0162 0.4754 0.5465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17471 5299SOL HW117469 3.235 5.651 4.222 -0.6750 -1.8450 1.8143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17472 5299SOL HW217470 3.206 5.729 4.363 -1.2284 1.9168 -0.2405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17473 5300SOL OW17471 3.095 4.004 3.762 -0.2320 -0.1745 0.3562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17474 5300SOL HW117472 3.060 3.990 3.669 -0.8520 1.1136 0.3743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17475 5300SOL HW217473 3.123 3.917 3.800 1.2334 -0.5715 -1.5129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17476 5301SOL OW17474 1.880 4.259 5.053 -0.0827 0.2212 -0.4643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17477 5301SOL HW117475 1.971 4.225 5.032 1.1737 2.8056 0.3142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17478 5301SOL HW217476 1.869 4.351 5.014 -0.4767 2.0097 3.3737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17479 5302SOL OW17477 2.300 3.862 4.342 0.1579 -0.4763 0.0026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17480 5302SOL HW117478 2.212 3.908 4.329 0.4080 -0.1858 -0.7230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17481 5302SOL HW217479 2.349 3.859 4.255 -0.1114 -2.6756 -0.1212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17482 5303SOL OW17480 3.370 4.885 4.361 -0.5564 0.8617 0.2790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17483 5303SOL HW117481 3.405 4.808 4.413 -1.0684 1.2525 1.2169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17484 5303SOL HW217482 3.274 4.899 4.381 -0.2344 2.3947 0.9553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17485 5304SOL OW17483 3.482 4.868 4.895 -0.4320 -0.8837 -0.2348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17486 5304SOL HW117484 3.410 4.831 4.836 -0.3424 -0.9425 -0.3066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17487 5304SOL HW217485 3.555 4.801 4.904 -0.3596 -0.8008 -0.2071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17488 5305SOL OW17486 2.891 5.216 4.851 -0.0728 -0.2003 -0.0373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17489 5305SOL HW117487 2.813 5.187 4.906 0.3150 -0.4823 0.3742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17490 5305SOL HW217488 2.967 5.153 4.867 0.4307 0.4210 0.0381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17491 5306SOL OW17489 3.519 5.487 5.264 -0.2920 0.1458 0.5140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17492 5306SOL HW117490 3.462 5.505 5.184 -2.0982 -0.3982 1.6213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17493 5306SOL HW217491 3.561 5.397 5.257 0.7145 0.6646 -0.4403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17494 5307SOL OW17492 2.830 5.023 4.530 -0.0443 -0.3453 -0.1227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17495 5307SOL HW117493 2.860 5.116 4.552 -2.0076 -0.0750 1.7060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17496 5307SOL HW217494 2.873 4.994 4.445 1.0373 2.0198 -0.4713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17497 5308SOL OW17495 2.574 4.143 5.302 -0.7277 -0.3389 0.4977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17498 5308SOL HW117496 2.585 4.050 5.338 -0.3631 -0.9396 -1.1017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17499 5308SOL HW217497 2.660 4.193 5.310 -1.2883 0.4221 2.7151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17500 5309SOL OW17498 2.805 4.890 5.167 0.1856 -0.1301 -0.0549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17501 5309SOL HW117499 2.706 4.895 5.176 -0.0237 1.3692 -2.2119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17502 5309SOL HW217500 2.829 4.859 5.075 1.6886 0.3395 0.1416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17503 5310SOL OW17501 2.585 4.286 4.315 -0.0226 -0.2016 -0.5793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17504 5310SOL HW117502 2.592 4.384 4.331 -1.5812 -0.0958 -0.3428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17505 5310SOL HW217503 2.644 4.260 4.238 0.7233 0.8326 -0.3718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17506 5311SOL OW17504 2.322 4.695 4.860 -0.2012 0.4678 -0.4502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17507 5311SOL HW117505 2.362 4.698 4.952 -0.3203 0.3174 -0.3936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17508 5311SOL HW217506 2.245 4.632 4.859 0.6337 -0.5691 -0.9830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17509 5312SOL OW17507 1.815 5.483 5.139 0.2118 -0.2035 0.2033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17510 5312SOL HW117508 1.764 5.484 5.053 -0.6728 -2.4438 0.6240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17511 5312SOL HW217509 1.894 5.423 5.129 -1.4197 -2.7735 1.6574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17512 5313SOL OW17510 2.111 4.915 4.004 -0.4605 0.4910 0.6602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17513 5313SOL HW117511 2.025 4.913 4.056 -2.1078 -0.9507 -1.8927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17514 5313SOL HW217512 2.152 4.824 4.005 0.5133 0.9259 1.0167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17515 5314SOL OW17513 2.357 4.339 4.584 0.0400 -0.5397 -0.0202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17516 5314SOL HW117514 2.356 4.373 4.490 -0.3139 -0.2723 0.0796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17517 5314SOL HW217515 2.418 4.397 4.639 -0.5702 -0.0553 0.1520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17518 5315SOL OW17516 2.913 5.509 4.858 -0.4220 0.5189 -0.3115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17519 5315SOL HW117517 3.013 5.516 4.862 -0.2014 0.1031 -3.0748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17520 5315SOL HW217518 2.887 5.412 4.853 -1.0389 0.6033 0.8390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17521 5316SOL OW17519 2.095 5.387 5.084 -0.7148 0.1248 0.3777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17522 5316SOL HW117520 2.080 5.289 5.066 -3.4259 0.4199 0.5721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17523 5316SOL HW217521 2.187 5.412 5.054 -0.1367 -2.3495 -0.2033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17524 5317SOL OW17522 2.146 4.454 5.387 0.2027 -0.6362 -0.0081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17525 5317SOL HW117523 2.216 4.445 5.316 1.4792 -0.7944 1.2313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17526 5317SOL HW217524 2.159 4.540 5.437 -0.8921 -0.3618 -0.1678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17527 5318SOL OW17525 3.633 4.395 5.277 0.4461 0.0941 0.7231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17528 5318SOL HW117526 3.546 4.431 5.309 0.9730 1.0865 1.0727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17529 5318SOL HW217527 3.698 4.470 5.264 1.3594 -0.6632 0.7864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17530 5319SOL OW17528 2.835 3.857 5.581 -0.3478 0.8915 0.3727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17531 5319SOL HW117529 2.935 3.851 5.571 -0.3671 0.7102 0.2853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17532 5319SOL HW217530 2.810 3.835 5.675 -0.3384 0.5328 0.2925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17533 5320SOL OW17531 2.198 4.071 5.476 -0.0469 0.1769 -0.5529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17534 5320SOL HW117532 2.103 4.067 5.446 -0.6701 -0.8588 1.3977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17535 5320SOL HW217533 2.208 4.142 5.546 0.1995 -0.8806 0.5118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17536 5321SOL OW17534 2.348 4.811 4.604 0.7383 0.2819 -0.4929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17537 5321SOL HW117535 2.412 4.884 4.580 0.2783 1.2434 1.0393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17538 5321SOL HW217536 2.351 4.795 4.703 -2.8970 1.9445 0.0548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17539 5322SOL OW17537 2.245 3.871 4.961 -0.2596 -0.1304 0.0329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17540 5322SOL HW117538 2.337 3.883 4.924 -0.1288 1.6100 0.8052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17541 5322SOL HW217539 2.249 3.856 5.059 -0.8138 1.3088 0.3080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17542 5323SOL OW17540 1.826 5.199 4.889 -0.1448 -0.0427 -0.3818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17543 5323SOL HW117541 1.811 5.167 4.795 -0.9989 2.1862 -1.0536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17544 5323SOL HW217542 1.786 5.132 4.953 0.0640 -1.3783 -1.5910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17545 5324SOL OW17543 2.510 4.507 4.722 -0.2349 -0.5205 -0.7536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17546 5324SOL HW117544 2.577 4.554 4.664 -0.1738 -0.9573 -1.0438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17547 5324SOL HW217545 2.439 4.571 4.750 0.8789 0.2332 0.4670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17548 5325SOL OW17546 3.668 4.736 5.455 0.2024 0.1576 -0.0001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17549 5325SOL HW117547 3.702 4.669 5.389 -1.4896 -0.4298 -0.3130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17550 5325SOL HW217548 3.697 4.710 5.547 -1.6999 -1.9421 0.0940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17551 5326SOL OW17549 2.176 3.605 4.351 0.1310 -0.2633 -0.1702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17552 5326SOL HW117550 2.106 3.638 4.414 0.4118 -0.5131 0.2851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17553 5326SOL HW217551 2.233 3.681 4.322 1.3762 -0.4367 1.6239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17554 5327SOL OW17552 2.797 5.319 5.570 -0.5343 0.0629 -0.2667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17555 5327SOL HW117553 2.881 5.320 5.517 -1.1081 0.4588 -1.1884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17556 5327SOL HW217554 2.722 5.355 5.515 -1.2081 0.2095 0.7110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17557 5328SOL OW17555 3.634 5.219 5.223 -0.4002 0.4516 0.0655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17558 5328SOL HW117556 3.648 5.237 5.125 0.4301 0.7366 0.2331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17559 5328SOL HW217557 3.722 5.217 5.270 -0.5808 -1.8669 0.4524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17560 5329SOL OW17558 2.202 4.664 5.594 0.5684 0.2695 0.2681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17561 5329SOL HW117559 2.292 4.673 5.552 0.6225 1.4386 0.5839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17562 5329SOL HW217560 2.211 4.612 5.680 1.0438 0.8295 0.5691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17563 5330SOL OW17561 2.866 4.953 4.277 -0.0097 -0.2863 -0.1483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17564 5330SOL HW117562 2.839 4.857 4.275 3.4038 -1.3502 -1.7017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17565 5330SOL HW217563 2.804 5.007 4.220 -0.1481 -2.1711 -1.8873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17566 5331SOL OW17564 2.164 4.525 4.428 0.1380 -1.0183 -0.4316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17567 5331SOL HW117565 2.184 4.570 4.515 1.7435 -0.4640 -1.0635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17568 5331SOL HW217566 2.194 4.582 4.353 -0.7320 -1.7443 -1.3605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17569 5332SOL OW17567 2.164 4.198 4.756 -0.3265 -0.0617 0.6983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17570 5332SOL HW117568 2.160 4.100 4.737 -0.0534 0.1395 -0.4681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17571 5332SOL HW217569 2.229 4.241 4.693 -0.4146 0.8625 1.2291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17572 5333SOL OW17570 2.935 3.980 5.269 0.2171 0.1633 0.0947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17573 5333SOL HW117571 2.885 4.055 5.313 0.7550 -0.7737 2.5022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17574 5333SOL HW217572 3.001 3.943 5.334 -0.1239 -2.4752 -0.9532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17575 5334SOL OW17573 3.031 3.859 5.058 0.0586 -1.2678 0.4744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17576 5334SOL HW117574 2.976 3.907 5.127 -0.6887 -1.4126 -0.0143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17577 5334SOL HW217575 3.080 3.926 5.002 -2.1471 -0.9443 -1.1846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17578 5335SOL OW17576 1.814 4.805 3.909 -0.4344 -0.1581 0.1089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17579 5335SOL HW117577 1.823 4.902 3.886 1.2778 -0.6575 -1.5515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17580 5335SOL HW217578 1.762 4.758 3.838 1.9259 -1.0820 -1.1289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17581 5336SOL OW17579 1.945 5.567 4.724 -0.1911 -0.0425 -0.6105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17582 5336SOL HW117580 1.954 5.645 4.662 0.2022 0.7902 0.4760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17583 5336SOL HW217581 2.030 5.514 4.724 -0.0039 0.2592 -0.3756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17584 5337SOL OW17582 2.155 5.144 4.570 -0.2842 0.0848 -0.5079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17585 5337SOL HW117583 2.228 5.164 4.504 -2.4166 1.5803 -2.5772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17586 5337SOL HW217584 2.123 5.050 4.557 -0.2707 0.1680 -1.1944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17587 5338SOL OW17585 1.895 4.303 4.665 0.3239 -0.3113 -0.8505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17588 5338SOL HW117586 1.970 4.254 4.709 0.2223 -0.1323 -0.4817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17589 5338SOL HW217587 1.912 4.401 4.669 -1.1860 -0.0771 1.5927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17590 5339SOL OW17588 1.965 4.460 5.595 -0.3223 -0.2841 -0.0614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17591 5339SOL HW117589 2.044 4.440 5.538 0.6865 0.3927 1.0577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17592 5339SOL HW217590 1.914 4.537 5.555 0.4476 0.2666 -0.0164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17593 5340SOL OW17591 3.399 4.598 5.217 -0.9640 -0.5947 -0.0081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17594 5340SOL HW117592 3.404 4.686 5.264 -2.1143 -0.3345 -0.3430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17595 5340SOL HW217593 3.315 4.593 5.164 -0.4955 -1.5586 -0.6923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17596 5341SOL OW17594 2.486 3.987 4.116 -0.4247 -0.0531 -0.5632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17597 5341SOL HW117595 2.533 4.065 4.157 2.0297 -0.6049 -2.1120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17598 5341SOL HW217596 2.492 3.993 4.017 -0.6250 -1.9578 -0.7208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17599 5342SOL OW17597 1.925 5.297 5.528 0.3299 0.1771 0.0928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17600 5342SOL HW117598 1.920 5.344 5.616 -0.3118 -1.8544 1.2127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17601 5342SOL HW217599 1.966 5.207 5.541 0.6098 -0.0071 -1.7881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17602 5343SOL OW17600 2.502 4.360 4.951 -0.8091 0.0646 -0.1372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17603 5343SOL HW117601 2.575 4.292 4.937 -0.3053 0.4026 0.7798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17604 5343SOL HW217602 2.497 4.420 4.871 0.1339 0.2262 -0.0858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17605 5344SOL OW17603 2.705 5.485 5.037 -0.5129 0.4421 0.6322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17606 5344SOL HW117604 2.766 5.529 4.972 0.1480 -0.5900 0.5426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17607 5344SOL HW217605 2.678 5.551 5.108 0.0769 1.1121 0.2383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17608 5345SOL OW17606 2.075 4.336 3.747 -0.2772 -0.8455 0.1964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17609 5345SOL HW117607 2.112 4.383 3.827 -1.0391 1.9799 -0.9821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17610 5345SOL HW217608 1.976 4.323 3.758 -0.3498 -0.6324 -0.1773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17611 5346SOL OW17609 2.055 5.024 5.290 0.0130 0.5819 -0.0388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17612 5346SOL HW117610 2.001 4.975 5.359 -0.5430 1.5139 0.2104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17613 5346SOL HW217611 2.119 4.961 5.247 -1.2794 -0.5726 -0.3403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17614 5347SOL OW17612 2.930 4.843 4.721 -0.1215 -0.1464 0.2775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17615 5347SOL HW117613 2.986 4.768 4.686 -0.6672 -0.7013 0.5797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17616 5347SOL HW217614 2.890 4.893 4.645 -0.2028 -0.5054 0.0825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17617 5348SOL OW17615 3.558 5.409 4.776 -0.1718 0.7876 0.1037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17618 5348SOL HW117616 3.574 5.461 4.692 2.5645 1.1156 0.7449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17619 5348SOL HW217617 3.523 5.318 4.753 -0.7980 1.3487 -1.2741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17620 5349SOL OW17618 3.207 5.523 4.670 -0.5011 0.4957 0.5821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17621 5349SOL HW117619 3.111 5.494 4.664 -0.0711 -1.3177 1.6363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17622 5349SOL HW217620 3.244 5.498 4.760 1.6373 -1.2048 -0.6483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17623 5350SOL OW17621 1.944 4.854 4.993 0.1630 -0.7521 -0.2433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17624 5350SOL HW117622 2.015 4.922 5.011 -0.9981 0.5597 -0.4340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17625 5350SOL HW217623 1.925 4.852 4.894 1.2636 -2.5161 -0.4721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17626 5351SOL OW17624 2.600 5.412 5.423 -0.8234 -0.2766 0.2646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17627 5351SOL HW117625 2.578 5.468 5.343 0.5119 0.2851 0.2798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17628 5351SOL HW217626 2.560 5.453 5.505 -1.7890 -0.6021 -0.0192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17629 5352SOL OW17627 1.646 5.539 5.590 -0.4910 0.1208 -0.2549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17630 5352SOL HW117628 1.553 5.532 5.555 0.0431 -0.9545 -1.5509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17631 5352SOL HW217629 1.676 5.450 5.622 0.1459 0.4283 0.0138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17632 5353SOL OW17630 2.546 5.036 4.880 -0.4063 0.3710 -0.3354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17633 5353SOL HW117631 2.616 5.095 4.920 1.9388 -0.7035 -2.5374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17634 5353SOL HW217632 2.456 5.078 4.891 0.9729 3.6734 -0.5587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17635 5354SOL OW17633 2.325 5.454 4.078 0.2438 -0.0258 0.0840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17636 5354SOL HW117634 2.269 5.487 4.002 -0.1812 -0.6009 0.1378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17637 5354SOL HW217635 2.327 5.354 4.077 1.1650 -0.0136 0.1663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17638 5355SOL OW17636 3.429 5.566 5.002 -0.0601 0.2008 -0.0937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17639 5355SOL HW117637 3.473 5.515 4.929 -2.1619 1.1959 -2.1902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17640 5355SOL HW217638 3.468 5.657 5.008 0.2862 0.0342 0.2196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17641 5356SOL OW17639 2.063 3.985 4.374 0.2561 0.4199 0.2778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17642 5356SOL HW117640 1.967 3.956 4.367 -0.2248 2.1748 -0.9776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17643 5356SOL HW217641 2.080 4.024 4.465 -0.5403 1.1441 0.1242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17644 5357SOL OW17642 2.728 4.760 4.904 0.1815 0.2213 0.5201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17645 5357SOL HW117643 2.822 4.758 4.871 -0.0048 1.8484 -0.1572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17646 5357SOL HW217644 2.673 4.819 4.846 -1.4873 -1.3795 0.3751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17647 5358SOL OW17645 2.579 4.385 3.828 0.2845 -0.2479 0.5941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17648 5358SOL HW117646 2.519 4.339 3.763 1.0142 -1.8537 0.9930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17649 5358SOL HW217647 2.651 4.434 3.779 -0.1641 -0.0335 0.1574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17650 5359SOL OW17648 2.267 5.233 5.317 -0.2393 0.1732 0.3642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17651 5359SOL HW117649 2.230 5.323 5.295 1.1708 1.2102 2.0143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17652 5359SOL HW217650 2.193 5.174 5.351 -1.0207 0.9693 0.0838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17653 5360SOL OW17651 3.226 5.160 4.720 0.6285 -0.9238 -0.4532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17654 5360SOL HW117652 3.160 5.116 4.782 2.1055 -0.2707 1.7118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17655 5360SOL HW217653 3.178 5.226 4.662 -0.6976 -0.7392 0.7895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17656 5361SOL OW17654 2.802 4.696 4.281 -0.6130 -0.4312 -0.0272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17657 5361SOL HW117655 2.739 4.651 4.217 -1.6028 0.5115 0.2513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17658 5361SOL HW217656 2.843 4.628 4.341 0.0684 -1.2877 -1.4318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17659 5362SOL OW17657 2.222 5.163 4.007 -1.1429 0.1459 -0.1493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17660 5362SOL HW117658 2.180 5.072 4.000 0.1834 -0.6614 1.6419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17661 5362SOL HW217659 2.162 5.223 4.060 -0.4218 -0.8301 1.8877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17662 5363SOL OW17660 1.844 5.000 4.115 -0.4451 0.7114 -0.3558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17663 5363SOL HW117661 1.810 4.926 4.058 -0.7238 2.0810 -2.0556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17664 5363SOL HW217662 1.802 5.086 4.086 2.4863 2.1069 -0.8562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17665 5364SOL OW17663 2.001 4.847 5.509 0.4498 -0.4504 0.6083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17666 5364SOL HW117664 1.928 4.780 5.492 0.6376 -0.2728 -1.0022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17667 5364SOL HW217665 2.080 4.800 5.549 1.2872 -1.6281 -2.2105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17668 5365SOL OW17666 2.503 3.936 5.012 -0.5574 0.2370 0.0886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17669 5365SOL HW117667 2.496 4.031 5.043 -0.1765 0.7892 -1.4219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17670 5365SOL HW217668 2.584 3.894 5.053 -0.5819 0.6395 0.5645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17671 5366SOL OW17669 2.148 4.065 3.670 0.0330 0.3028 -0.4699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17672 5366SOL HW117670 2.090 4.011 3.609 0.5064 -0.3029 -0.3995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17673 5366SOL HW217671 2.128 4.162 3.659 1.2765 0.3646 -2.8474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17674 5367SOL OW17672 3.124 4.586 5.110 -0.0539 -0.1597 0.4982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17675 5367SOL HW117673 3.051 4.585 5.178 0.0514 -1.9912 0.6105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17676 5367SOL HW217674 3.088 4.620 5.023 -0.8093 -0.1993 0.7924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17677 5368SOL OW17675 1.900 3.778 3.902 -0.0277 -0.4691 0.1502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17678 5368SOL HW117676 1.861 3.728 3.979 0.5111 -1.0471 0.0578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17679 5368SOL HW217677 1.999 3.786 3.914 -0.1093 0.6536 0.2024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17680 5369SOL OW17678 2.396 4.641 5.117 -0.5744 0.0748 0.2854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17681 5369SOL HW117679 2.466 4.678 5.178 -0.6582 -0.0360 0.4519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17682 5369SOL HW217680 2.400 4.541 5.120 1.1345 0.0071 -1.8505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17683 5370SOL OW17681 3.252 5.393 4.362 -0.5022 -0.3486 -0.4143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17684 5370SOL HW117682 3.350 5.385 4.343 -0.8908 -2.6044 -1.7915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17685 5370SOL HW217683 3.234 5.481 4.406 2.1003 0.1962 -0.2858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17686 5371SOL OW17684 2.333 4.085 5.237 0.0863 0.4930 -0.6224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17687 5371SOL HW117685 2.286 4.071 5.324 -0.5842 0.9880 -0.8924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17688 5371SOL HW217686 2.427 4.112 5.253 0.5401 -1.2862 -0.0668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17689 5372SOL OW17687 3.253 4.918 5.058 -0.1885 -0.3303 -0.0288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17690 5372SOL HW117688 3.264 4.900 5.156 0.6729 -0.7840 -0.1987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17691 5372SOL HW217689 3.338 4.896 5.011 0.3450 2.4142 -0.5150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17692 5373SOL OW17690 2.090 5.523 5.441 0.2747 -0.0762 0.3549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17693 5373SOL HW117691 2.019 5.584 5.406 0.6687 0.1297 -0.1023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17694 5373SOL HW217692 2.048 5.439 5.475 -0.0608 -0.8086 -1.7164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17695 5374SOL OW17693 2.677 4.214 4.075 0.8995 0.1559 1.0548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17696 5374SOL HW117694 2.771 4.239 4.051 0.3956 0.9107 -0.1740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17697 5374SOL HW217695 2.613 4.260 4.014 -0.1817 -2.2134 0.2735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17698 5375SOL OW17696 3.583 3.985 5.480 -0.0018 -0.1369 -0.2657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17699 5375SOL HW117697 3.515 4.039 5.431 0.3404 0.9587 0.4169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17700 5375SOL HW217698 3.541 3.944 5.561 0.0465 0.2380 -0.0457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17701 5376SOL OW17699 3.566 4.601 4.997 0.0380 0.2655 0.0523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17702 5376SOL HW117700 3.512 4.598 5.081 -1.5932 1.7675 -0.8840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17703 5376SOL HW217701 3.505 4.593 4.918 1.1966 1.8354 -1.0448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17704 5377SOL OW17702 2.355 5.593 4.608 0.3359 -0.0197 0.2034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17705 5377SOL HW117703 2.331 5.686 4.580 2.0476 0.6088 0.7137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17706 5377SOL HW217704 2.390 5.542 4.530 -0.9752 -0.3975 -0.1667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17707 5378SOL OW17705 2.684 4.639 4.548 -0.0319 -0.1465 -0.5406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17708 5378SOL HW117706 2.762 4.592 4.507 0.9352 0.8374 0.1097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17709 5378SOL HW217707 2.717 4.719 4.599 -1.5541 0.8257 -1.0237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17710 5379SOL OW17708 3.451 5.123 4.458 0.4821 -0.0568 0.1253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17711 5379SOL HW117709 3.423 5.043 4.404 -0.7993 0.8206 -0.5592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17712 5379SOL HW217710 3.383 5.138 4.531 0.1612 0.9979 -0.3850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17713 5380SOL OW17711 2.080 5.067 5.647 0.2839 -0.0450 0.2662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17714 5380SOL HW117712 2.034 4.989 5.604 -2.7738 2.2228 -0.9365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17715 5380SOL HW217713 2.077 5.057 5.746 -1.1424 -0.8987 0.1679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17716 5381SOL OW17714 1.856 4.996 4.404 -0.3895 0.8896 -0.3390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17717 5381SOL HW117715 1.926 4.946 4.455 -0.9411 1.2216 0.7645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17718 5381SOL HW217716 1.877 4.992 4.306 0.2028 -0.5111 -0.1776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17719 5382SOL OW17717 2.664 5.222 5.027 0.1422 0.0255 1.0526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17720 5382SOL HW117718 2.633 5.185 5.114 -1.0260 1.3299 1.2302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17721 5382SOL HW217719 2.669 5.322 5.033 0.8890 0.0766 -0.1086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17722 5383SOL OW17720 2.030 3.809 4.172 0.3824 -0.7437 0.4853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17723 5383SOL HW117721 2.066 3.864 4.097 -0.7549 -0.6929 -0.0332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17724 5383SOL HW217722 2.010 3.869 4.250 0.0132 -0.5530 0.2467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17725 5384SOL OW17723 3.483 5.123 4.807 -0.3439 0.0347 0.7343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17726 5384SOL HW117724 3.482 5.032 4.849 -0.8316 0.9480 2.8766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17727 5384SOL HW217725 3.389 5.150 4.786 -0.0870 -0.5081 -1.2985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17728 5385SOL OW17726 2.207 4.433 4.916 -0.0485 0.5839 -0.4096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17729 5385SOL HW117727 2.223 4.388 5.004 -0.4752 1.7779 0.3163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17730 5385SOL HW217728 2.225 4.369 4.841 0.0494 -0.5428 0.5488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17731 5386SOL OW17729 2.460 5.429 4.413 0.2084 0.1275 0.0424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17732 5386SOL HW117730 2.547 5.409 4.368 -0.5311 -0.9519 -0.9763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17733 5386SOL HW217731 2.404 5.488 4.355 -0.6752 -1.1194 -0.4185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17734 5387SOL OW17732 2.693 3.845 5.173 0.0414 -0.0543 0.6174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17735 5387SOL HW117733 2.699 3.909 5.249 -1.0716 0.4640 0.2922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17736 5387SOL HW217734 2.777 3.850 5.118 -0.3989 1.8633 0.0476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17737 5388SOL OW17735 2.370 5.432 5.027 -0.2096 0.0338 -0.0610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17738 5388SOL HW117736 2.445 5.443 5.093 0.1564 0.0014 -0.4651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17739 5388SOL HW217737 2.376 5.504 4.958 -1.6660 1.1796 0.9435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17740 5389SOL OW17738 1.582 4.751 4.076 0.3071 0.5325 0.3438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17741 5389SOL HW117739 1.592 4.785 4.169 -1.5894 0.8738 0.4759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17742 5389SOL HW217740 1.665 4.702 4.049 0.6068 -0.2815 2.5069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17743 5390SOL OW17741 2.665 5.426 4.236 -0.3226 0.7818 -0.4044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17744 5390SOL HW117742 2.627 5.338 4.206 -0.7989 0.6187 0.6571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17745 5390SOL HW217743 2.713 5.469 4.159 0.6377 -0.7764 -0.7243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17746 5391SOL OW17744 1.917 4.518 5.851 0.7852 -0.5151 -0.0383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17747 5391SOL HW117745 1.831 4.472 5.872 0.4380 -0.7513 -1.7709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17748 5391SOL HW217746 1.936 4.507 5.753 1.4424 1.7523 -0.2077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17749 5392SOL OW17747 1.955 4.081 6.431 0.0505 -0.5803 0.1261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17750 5392SOL HW117748 2.040 4.027 6.433 0.5401 0.1465 -0.5397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17751 5392SOL HW217749 1.880 4.025 6.465 1.0698 -0.7422 2.2461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17752 5393SOL OW17750 1.675 4.094 6.126 0.0153 0.1838 0.6127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17753 5393SOL HW117751 1.609 4.118 6.197 -2.3970 0.2339 -1.5262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17754 5393SOL HW217752 1.634 4.028 6.063 1.3435 1.5772 -1.8535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17755 5394SOL OW17753 2.254 5.152 6.912 -0.5127 -0.0829 0.0719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17756 5394SOL HW117754 2.191 5.182 6.841 0.4734 3.2255 0.4243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17757 5394SOL HW217755 2.341 5.127 6.870 -1.0926 -1.8403 -0.1533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17758 5395SOL OW17756 3.302 5.359 6.149 0.0571 -0.2082 0.3228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17759 5395SOL HW117757 3.290 5.317 6.239 -0.1640 1.3207 1.0363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17760 5395SOL HW217758 3.232 5.429 6.136 0.4030 -0.0662 -0.8403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17761 5396SOL OW17759 2.882 4.435 6.035 0.2079 -0.0099 -0.4853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17762 5396SOL HW117760 2.949 4.495 6.079 1.7102 -0.8501 -1.5482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17763 5396SOL HW217761 2.890 4.343 6.073 -0.6827 -0.0311 -0.3133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17764 5397SOL OW17762 3.750 4.341 5.678 0.0704 -0.0825 0.3885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17765 5397SOL HW117763 3.765 4.294 5.592 -0.8854 -0.4908 0.4379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17766 5397SOL HW217764 3.652 4.353 5.694 0.1731 4.4158 -0.9867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17767 5398SOL OW17765 2.486 4.778 6.469 -0.6677 -0.4367 -0.2049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17768 5398SOL HW117766 2.414 4.825 6.520 -1.6706 0.3002 -2.1918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17769 5398SOL HW217767 2.529 4.842 6.405 0.1451 -1.4520 -0.7019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17770 5399SOL OW17768 2.663 4.522 0.237 -0.3335 0.1744 0.3322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17771 5399SOL HW117769 2.622 4.502 0.326 -0.0655 -1.2585 0.1670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17772 5399SOL HW217770 2.757 4.555 0.250 0.0330 -0.9082 0.5832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17773 5400SOL OW17771 2.617 4.457 6.033 0.1635 -0.2554 0.2442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17774 5400SOL HW117772 2.716 4.444 6.026 0.2660 0.0417 1.0967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17775 5400SOL HW217773 2.595 4.513 6.113 -0.5137 2.0000 -1.4029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17776 5401SOL OW17774 2.096 5.253 6.696 -0.3294 -0.3451 -0.2484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17777 5401SOL HW117775 2.024 5.275 6.762 -1.3402 -1.6766 -0.8600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17778 5401SOL HW217776 2.056 5.203 6.619 0.6401 1.9232 -2.3504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17779 5402SOL OW17777 3.131 5.266 6.746 -0.3838 -0.0064 -0.0716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17780 5402SOL HW117778 3.171 5.350 6.785 0.9257 -0.9948 0.8198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17781 5402SOL HW217779 3.072 5.223 6.814 -0.2994 -0.2858 -0.1718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17782 5403SOL OW17780 2.301 4.116 6.999 -0.0232 0.3551 -0.1330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17783 5403SOL HW117781 2.392 4.131 7.037 0.7062 -0.7090 -1.4046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17784 5403SOL HW217782 2.243 4.073 7.068 -0.0905 2.4399 1.2243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17785 5404SOL OW17783 3.394 4.093 6.043 -0.7206 0.2283 -0.0193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17786 5404SOL HW117784 3.336 4.017 6.015 0.6154 -0.8267 -0.0388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17787 5404SOL HW217785 3.358 4.179 6.007 -0.8674 -0.6938 -2.1690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17788 5405SOL OW17786 2.052 5.394 5.997 -0.2561 0.0959 -0.0275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17789 5405SOL HW117787 2.086 5.465 6.059 -0.3538 0.6572 -0.6078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17790 5405SOL HW217788 2.096 5.405 5.908 0.6430 -1.3212 0.2176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17791 5406SOL OW17789 2.038 5.133 6.052 0.0739 -0.0713 -0.2394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17792 5406SOL HW117790 2.020 5.226 6.020 -2.8533 -0.8742 -1.3015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17793 5406SOL HW217791 2.030 5.130 6.152 0.0812 0.7849 -0.2059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17794 5407SOL OW17792 2.288 4.906 6.596 -0.2197 1.0577 -0.0493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17795 5407SOL HW117793 2.238 4.827 6.631 0.8452 0.6805 0.6664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17796 5407SOL HW217794 2.227 4.985 6.593 -1.2628 0.2472 -0.6604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17797 5408SOL OW17795 2.282 5.541 6.991 -0.0697 0.7091 -0.1647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17798 5408SOL HW117796 2.354 5.610 7.005 2.1911 -1.8850 2.0331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17799 5408SOL HW217797 2.275 5.521 6.893 0.0321 3.1121 -0.7422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17800 5409SOL OW17798 2.452 4.687 5.474 0.3442 -0.0160 -0.3492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17801 5409SOL HW117799 2.455 4.756 5.402 1.4134 1.4224 1.0015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17802 5409SOL HW217800 2.545 4.660 5.498 -0.0112 -0.7161 0.2669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17803 5410SOL OW17801 3.260 3.654 6.474 0.5243 0.0953 -0.0707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17804 5410SOL HW117802 3.221 3.565 6.447 2.3722 -0.7781 -0.0304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17805 5410SOL HW217803 3.283 3.706 6.392 3.0115 -1.1412 -0.2441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17806 5411SOL OW17804 1.826 4.497 6.441 0.1543 -0.1830 0.7247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17807 5411SOL HW117805 1.827 4.434 6.363 1.6032 1.5451 -0.7176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17808 5411SOL HW217806 1.893 4.467 6.509 0.5619 -0.3925 0.2322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17809 5412SOL OW17807 3.718 5.325 5.904 0.0176 0.2354 -0.2741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17810 5412SOL HW117808 3.784 5.267 5.951 1.6150 1.3495 -1.0355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17811 5412SOL HW217809 3.674 5.386 5.969 0.0330 -0.2230 0.1756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17812 5413SOL OW17810 1.722 5.333 5.756 0.0137 -0.1236 0.1538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17813 5413SOL HW117811 1.701 5.236 5.749 -1.0297 -0.0127 1.4900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17814 5413SOL HW217812 1.732 5.358 5.852 1.9674 0.7605 -0.2242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17815 5414SOL OW17813 3.554 4.501 6.082 0.5786 0.2759 0.0417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17816 5414SOL HW117814 3.569 4.410 6.121 0.9429 1.1659 2.1080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17817 5414SOL HW217815 3.642 4.549 6.077 0.7626 -0.1299 -2.9889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17818 5415SOL OW17816 3.476 4.820 5.897 0.1889 -0.5212 -0.3260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17819 5415SOL HW117817 3.507 4.885 5.828 2.5232 -0.5885 0.5656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17820 5415SOL HW217818 3.503 4.852 5.988 -0.8197 -1.5405 0.3734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17821 5416SOL OW17819 1.947 4.661 7.108 0.1287 0.0809 -0.3921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17822 5416SOL HW117820 1.908 4.647 7.199 -0.9603 -2.2864 -1.1370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17823 5416SOL HW217821 1.888 4.724 7.056 0.7971 1.5047 0.5021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17824 5417SOL OW17822 2.304 4.941 6.263 -0.0247 -0.3264 -0.4041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17825 5417SOL HW117823 2.243 4.862 6.273 -0.6217 0.1588 -0.1394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17826 5417SOL HW217824 2.274 4.997 6.186 -0.2722 0.2146 0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17827 5418SOL OW17825 2.923 4.726 7.019 -0.0918 -0.8184 0.2118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17828 5418SOL HW117826 2.988 4.798 6.997 0.7988 -1.2540 1.2929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17829 5418SOL HW217827 2.970 4.638 7.020 -0.5398 -1.0722 1.5564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17830 5419SOL OW17828 2.491 3.860 6.060 0.2108 0.2102 -0.0265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17831 5419SOL HW117829 2.543 3.923 6.003 -0.8739 0.4649 -0.7589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17832 5419SOL HW217830 2.422 3.911 6.112 0.5852 -0.1377 0.8246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17833 5420SOL OW17831 2.218 4.748 7.044 0.1208 0.4470 -0.1675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17834 5420SOL HW117832 2.263 4.673 6.996 1.6681 1.2526 -0.0564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17835 5420SOL HW217833 2.123 4.723 7.064 1.2437 -2.5534 2.1944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17836 5421SOL OW17834 3.684 4.665 5.740 0.3854 0.1584 0.0616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17837 5421SOL HW117835 3.742 4.627 5.812 -0.4365 -4.1625 -1.2527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17838 5421SOL HW217836 3.596 4.693 5.779 0.8708 0.3152 1.0708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17839 5422SOL OW17837 2.961 5.578 7.094 -0.2688 0.4601 -0.3462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17840 5422SOL HW117838 3.049 5.532 7.085 -0.5869 -0.3336 0.4553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17841 5422SOL HW217839 2.905 5.560 7.014 0.3673 1.1689 -0.9752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17842 5423SOL OW17840 2.238 3.994 0.143 -0.0077 0.6402 -0.6329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17843 5423SOL HW117841 2.263 4.091 0.133 -0.3938 0.6922 -1.1241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17844 5423SOL HW217842 2.162 3.973 0.081 -0.3181 0.1668 -0.0946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17845 5424SOL OW17843 3.064 5.478 6.282 0.0968 0.4161 0.0360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17846 5424SOL HW117844 3.033 5.386 6.259 -0.5633 0.6570 -0.0349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17847 5424SOL HW217845 2.986 5.539 6.294 0.4781 0.6561 1.4367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17848 5425SOL OW17846 3.565 5.446 6.114 -0.3341 -0.0294 -0.0792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17849 5425SOL HW117847 3.617 5.396 6.184 -0.8719 -0.3042 0.1234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17850 5425SOL HW217848 3.472 5.410 6.108 -0.3781 0.1746 -0.7493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17851 5426SOL OW17849 2.330 4.542 5.823 -0.4816 0.1838 -0.3402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17852 5426SOL HW117850 2.410 4.585 5.780 -0.5681 0.4046 -0.2767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17853 5426SOL HW217851 2.328 4.564 5.920 -0.6913 0.2826 -0.3670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17854 5427SOL OW17852 3.108 4.298 6.371 -0.2963 -0.1505 -0.5983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17855 5427SOL HW117853 3.061 4.210 6.387 -0.8902 0.4995 1.6510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17856 5427SOL HW217854 3.207 4.284 6.373 -0.3810 -0.7434 0.1128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17857 5428SOL OW17855 3.490 5.303 5.752 0.4022 -0.2883 0.4707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17858 5428SOL HW117856 3.586 5.317 5.777 0.4205 0.8885 -0.1811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17859 5428SOL HW217857 3.481 5.307 5.653 -0.1517 -1.6396 0.4461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17860 5429SOL OW17858 2.812 4.204 6.930 0.2579 -0.4994 0.1292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17861 5429SOL HW117859 2.745 4.160 6.990 0.5776 -2.3973 -0.8192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17862 5429SOL HW217860 2.775 4.211 6.838 1.0797 -0.9512 -0.2529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17863 5430SOL OW17861 3.077 4.515 7.006 -0.3800 0.3112 -0.0478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17864 5430SOL HW117862 3.068 4.415 7.009 -2.6688 0.4170 -1.4000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17865 5430SOL HW217863 3.160 4.538 6.955 -0.3997 -0.9051 -0.6818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17866 5431SOL OW17864 2.960 4.152 6.641 -0.3808 0.0020 0.3835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17867 5431SOL HW117865 2.873 4.202 6.648 0.5667 1.7386 0.3423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17868 5431SOL HW217866 2.968 4.111 6.551 -0.9595 0.2335 0.2232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17869 5432SOL OW17867 2.811 4.400 5.774 0.2657 -0.5423 0.0525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17870 5432SOL HW117868 2.839 4.404 5.870 0.7206 -2.3567 0.0302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17871 5432SOL HW217869 2.791 4.305 5.749 0.4682 -0.1475 -1.7320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17872 5433SOL OW17870 2.145 4.518 6.417 0.1465 0.5232 -0.2701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17873 5433SOL HW117871 2.126 4.448 6.349 0.1234 -0.3302 0.5951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17874 5433SOL HW217872 2.101 4.604 6.389 -3.8746 -0.9128 0.8506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17875 5434SOL OW17873 1.615 5.744 0.078 0.3081 0.0260 -0.1222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17876 5434SOL HW117874 1.651 5.824 0.030 0.6846 0.1773 0.4013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17877 5434SOL HW217875 1.599 5.768 0.174 0.5117 -0.5498 0.0579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17878 5435SOL OW17876 2.779 4.121 5.690 -0.0272 -0.4065 0.0651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17879 5435SOL HW117877 2.859 4.122 5.630 0.8858 -1.2399 1.2117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17880 5435SOL HW217878 2.709 4.061 5.651 -0.4235 0.9109 -1.3195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17881 5436SOL OW17879 2.993 4.792 5.958 -0.6511 -0.4347 0.1434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17882 5436SOL HW117880 3.079 4.806 5.909 -0.5136 -1.2982 0.1159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17883 5436SOL HW217881 2.947 4.879 5.971 -0.6004 -0.1560 -1.3806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17884 5437SOL OW17882 2.198 3.973 6.440 0.5047 -0.5586 0.5737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17885 5437SOL HW117883 2.239 3.990 6.529 2.1887 -1.2987 -0.0116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17886 5437SOL HW217884 2.262 4.002 6.368 0.7754 -3.2550 -0.3851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17887 5438SOL OW17885 2.821 5.016 6.004 0.1108 -0.6083 0.4662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17888 5438SOL HW117886 2.756 5.092 6.005 -0.6819 -1.2536 -0.4093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17889 5438SOL HW217887 2.803 4.955 6.080 1.6973 0.8011 2.0848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17890 5439SOL OW17888 2.199 5.403 6.398 -0.7266 -0.2419 0.2574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17891 5439SOL HW117889 2.219 5.306 6.392 -0.0112 -0.0140 -1.4932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17892 5439SOL HW217890 2.283 5.454 6.416 -0.9251 0.1338 0.1331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17893 5440SOL OW17891 3.611 4.839 6.481 -0.0045 -0.9659 -0.6408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17894 5440SOL HW117892 3.681 4.812 6.547 0.7605 -1.4354 -1.6247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17895 5440SOL HW217893 3.523 4.847 6.528 0.8026 0.2544 0.7471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17896 5441SOL OW17894 2.891 5.193 6.904 0.4347 0.5846 0.2220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17897 5441SOL HW117895 2.864 5.097 6.913 1.8221 0.1253 -0.2434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17898 5441SOL HW217896 2.809 5.251 6.905 -0.6936 -0.8081 -2.1371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17899 5442SOL OW17897 2.006 4.709 6.020 0.0205 0.8505 -0.3077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17900 5442SOL HW117898 2.008 4.794 5.968 -1.7176 1.4926 0.6033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17901 5442SOL HW217899 1.960 4.638 5.966 0.7331 0.6974 -0.7333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17902 5443SOL OW17900 3.337 4.645 6.171 1.2760 -0.0310 0.0546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17903 5443SOL HW117901 3.378 4.630 6.261 0.3101 1.5441 0.7965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17904 5443SOL HW217902 3.405 4.629 6.100 2.5614 0.4506 1.1458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17905 5444SOL OW17903 2.548 4.987 7.231 0.3017 0.6721 -0.7737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17906 5444SOL HW117904 2.528 4.943 7.143 3.0097 1.0009 -1.6478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17907 5444SOL HW217905 2.526 4.924 7.306 1.6689 -1.2339 -1.9002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17908 5445SOL OW17906 3.150 5.514 5.532 0.0681 -0.1732 0.3774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17909 5445SOL HW117907 3.125 5.575 5.457 -0.8799 0.2734 1.0380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17910 5445SOL HW217908 3.092 5.432 5.528 -0.5107 0.2000 1.0651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17911 5446SOL OW17909 2.129 3.936 7.138 -0.5433 -0.1079 0.5816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17912 5446SOL HW117910 2.030 3.948 7.137 -0.7390 -1.4289 1.1622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17913 5446SOL HW217911 2.151 3.843 7.107 0.4771 -0.0483 1.0868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17914 5447SOL OW17912 3.412 5.120 5.387 -0.3386 0.1439 -0.5055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17915 5447SOL HW117913 3.393 5.202 5.442 0.4904 -0.5656 0.8951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17916 5447SOL HW217914 3.480 5.143 5.317 -1.0279 0.9486 -0.9238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17917 5448SOL OW17915 2.164 5.475 5.755 -0.1838 0.2322 -0.5436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17918 5448SOL HW117916 2.246 5.480 5.811 0.4503 0.3457 -1.4547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17919 5448SOL HW217917 2.185 5.429 5.668 -1.4238 -1.0623 -0.2026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17920 5449SOL OW17918 3.238 3.899 5.968 -0.1851 -0.0296 -0.2930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17921 5449SOL HW117919 3.306 3.827 5.956 1.0849 0.7354 1.7518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17922 5449SOL HW217920 3.154 3.861 6.007 0.1271 -0.5393 -0.1156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17923 5450SOL OW17921 2.067 5.705 6.726 0.2359 -0.2270 -0.0332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17924 5450SOL HW117922 2.115 5.618 6.737 -0.7185 -0.6289 1.2130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17925 5450SOL HW217923 1.978 5.699 6.771 0.3870 1.5982 0.5625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17926 5451SOL OW17924 2.765 5.387 6.349 0.2719 0.4817 0.7450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17927 5451SOL HW117925 2.828 5.356 6.421 0.2548 0.4994 0.7678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17928 5451SOL HW217926 2.745 5.311 6.287 1.7877 0.9493 -0.3687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17929 5452SOL OW17927 2.255 4.571 6.072 -0.3859 -0.1548 0.2554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17930 5452SOL HW117928 2.217 4.488 6.111 -1.7097 0.7939 1.0426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17931 5452SOL HW217929 2.183 4.639 6.061 0.9135 1.3991 0.9671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17932 5453SOL OW17930 2.410 3.855 5.508 -0.0110 -0.4174 -0.2460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17933 5453SOL HW117931 2.409 3.830 5.605 2.2079 1.6542 0.4337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17934 5453SOL HW217932 2.339 3.923 5.490 0.1883 -0.0987 0.1660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17935 5454SOL OW17933 2.619 3.820 7.027 0.0792 0.0275 -0.1734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17936 5454SOL HW117934 2.557 3.801 7.103 -0.0124 0.1843 -0.2094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17937 5454SOL HW217935 2.580 3.891 6.969 0.9684 1.1916 0.6142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17938 5455SOL OW17936 2.459 5.101 6.740 -0.0557 0.2384 0.1274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17939 5455SOL HW117937 2.495 5.163 6.671 1.2659 -0.7037 -0.0692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17940 5455SOL HW217938 2.401 5.033 6.697 1.0814 -0.5880 -0.1534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17941 5456SOL OW17939 3.302 4.595 6.909 0.2403 -0.0039 -0.2950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17942 5456SOL HW117940 3.331 4.685 6.876 -1.3986 1.5033 2.0406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17943 5456SOL HW217941 3.348 4.575 6.996 -0.1885 -0.9505 -0.2789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17944 5457SOL OW17942 2.551 4.986 6.302 0.1046 0.6537 -0.0420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17945 5457SOL HW117943 2.594 5.017 6.217 2.4267 -0.9789 0.4172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17946 5457SOL HW217944 2.452 4.978 6.288 -0.0483 3.6573 -1.4886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17947 5458SOL OW17945 2.813 4.366 6.394 0.2232 0.3062 -0.3665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17948 5458SOL HW117946 2.804 4.322 6.305 0.1763 2.0670 -1.2661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17949 5458SOL HW217947 2.910 4.370 6.419 0.1365 -1.6632 0.4784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17950 5459SOL OW17948 2.331 4.055 6.209 -0.1997 -0.0797 0.5954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17951 5459SOL HW117949 2.381 4.138 6.230 -0.2097 -0.3850 1.9293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17952 5459SOL HW217950 2.255 4.076 6.147 0.1931 0.7812 0.4005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17953 5460SOL OW17951 3.151 5.000 5.365 -0.2521 0.2243 -0.2704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17954 5460SOL HW117952 3.240 5.036 5.392 0.0472 0.0733 -1.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17955 5460SOL HW217953 3.132 4.917 5.417 0.9979 -0.9196 -1.5714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17956 5461SOL OW17954 2.165 3.941 5.831 0.0028 -0.0024 0.0666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17957 5461SOL HW117955 2.164 4.029 5.784 0.2652 0.3725 0.7619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17958 5461SOL HW217956 2.226 3.879 5.783 -0.0488 0.2437 -0.3254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17959 5462SOL OW17957 2.644 4.046 5.939 0.7569 0.6031 0.1349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17960 5462SOL HW117958 2.559 4.099 5.945 1.2155 1.7549 -2.3570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17961 5462SOL HW217959 2.693 4.072 5.857 2.1769 -2.0883 0.0394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17962 5463SOL OW17960 3.046 4.247 7.050 -0.0272 -0.1109 -0.0537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17963 5463SOL HW117961 2.959 4.227 7.004 -0.4630 -0.4422 0.8872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17964 5463SOL HW217962 3.075 4.168 7.104 0.6633 0.1344 -0.0528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17965 5464SOL OW17963 3.035 5.279 5.986 0.4599 0.0011 0.4536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17966 5464SOL HW117964 2.957 5.290 5.924 1.5652 -1.9520 -1.4333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17967 5464SOL HW217965 3.110 5.337 5.956 0.8064 -0.5159 0.3119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17968 5465SOL OW17966 2.500 4.598 6.234 -0.0932 0.1723 -0.9675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17969 5465SOL HW117967 2.483 4.624 6.329 0.9363 -0.8172 -0.4901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17970 5465SOL HW217968 2.426 4.632 6.176 -1.6009 -0.6418 0.4193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17971 5466SOL OW17969 3.031 5.622 5.897 0.1813 0.0571 0.0999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17972 5466SOL HW117970 3.063 5.717 5.901 1.5585 -0.4183 1.7411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17973 5466SOL HW217971 2.945 5.614 5.947 -0.6728 0.6710 -1.2258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17974 5467SOL OW17972 2.823 4.217 5.362 0.0238 0.5881 -0.0004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17975 5467SOL HW117973 2.825 4.299 5.304 0.3033 -0.5324 -1.6357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17976 5467SOL HW217974 2.904 4.215 5.420 0.3788 1.1158 -0.4659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17977 5468SOL OW17975 1.944 4.392 6.980 -0.2314 0.1624 0.0492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17978 5468SOL HW117976 2.028 4.386 6.925 1.7404 -0.6043 2.9535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17979 5468SOL HW217977 1.935 4.486 7.015 1.7427 -0.5944 2.9446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17980 5469SOL OW17978 2.552 3.942 6.612 -0.0279 -0.1354 -0.1531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17981 5469SOL HW117979 2.596 3.868 6.662 0.9864 -0.8284 -1.9959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17982 5469SOL HW217980 2.461 3.958 6.649 0.3467 -1.2021 1.3077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17983 5470SOL OW17981 2.753 4.227 6.184 -0.0353 -0.1475 -0.4262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17984 5470SOL HW117982 2.654 4.219 6.200 0.2667 -0.1675 1.6427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17985 5470SOL HW217983 2.790 4.137 6.162 -0.5195 -0.0790 -1.5872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17986 5471SOL OW17984 2.823 3.967 6.152 0.1074 -0.2576 -0.2286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17987 5471SOL HW117985 2.766 3.969 6.070 -2.0691 -1.0654 1.1770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17988 5471SOL HW217986 2.884 3.888 6.147 0.6778 0.2238 -1.4493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17989 5472SOL OW17987 3.217 4.908 6.168 -0.8762 -0.2389 0.2364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17990 5472SOL HW117988 3.241 4.813 6.149 1.0988 -0.0844 1.6230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17991 5472SOL HW217989 3.165 4.945 6.091 -0.2410 -1.9414 -1.0798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17992 5473SOL OW17990 3.396 4.563 6.419 0.6243 0.5104 0.5607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17993 5473SOL HW117991 3.324 4.547 6.486 0.2307 -0.8252 -0.1439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17994 5473SOL HW217992 3.485 4.543 6.460 0.2771 -1.9595 0.2626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17995 5474SOL OW17993 3.827 4.524 5.901 -0.4045 -0.4289 0.6370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17996 5474SOL HW117994 3.839 4.462 5.979 -0.7306 -2.5324 -0.9035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17997 5474SOL HW217995 3.813 4.471 5.818 -1.0736 1.7514 -0.7327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17998 5475SOL OW17996 2.417 5.071 5.737 0.0907 -0.4275 0.0566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
17999 5475SOL HW117997 2.378 5.010 5.667 -1.3410 0.3711 0.1262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18000 5475SOL HW217998 2.506 5.036 5.765 0.3122 -1.2410 -1.5393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18001 5476SOL OW17999 3.517 4.966 6.119 0.0169 0.1209 0.4436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18002 5476SOL HW118000 3.530 5.005 6.210 -1.3296 -0.2044 0.8004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18003 5476SOL HW218001 3.496 5.040 6.055 -0.6271 0.1985 0.7333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18004 5477SOL OW18002 3.248 4.320 5.574 -0.1766 -0.7063 0.0361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18005 5477SOL HW118003 3.207 4.399 5.620 0.9397 2.5627 -4.0381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18006 5477SOL HW218004 3.326 4.288 5.627 -0.1320 1.5009 1.4497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18007 5478SOL OW18005 2.159 4.136 6.031 0.0662 -0.4119 -0.4217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18008 5478SOL HW118006 2.175 4.050 5.983 -0.0523 0.0242 -1.2522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18009 5478SOL HW218007 2.153 4.211 5.965 -2.7161 -0.1458 0.0310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18010 5479SOL OW18008 3.437 4.841 6.968 0.0354 0.0036 -0.3134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18011 5479SOL HW118009 3.529 4.874 6.990 -0.5495 1.2197 0.3804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18012 5479SOL HW218010 3.371 4.914 6.983 -1.1309 -1.0555 -0.1430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18013 5480SOL OW18011 2.764 4.943 6.944 0.4852 0.3055 -0.0116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18014 5480SOL HW118012 2.668 4.925 6.920 -0.1489 2.5796 0.5147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18015 5480SOL HW218013 2.809 4.858 6.969 -1.3115 -0.8631 -0.5451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18016 5481SOL OW18014 2.812 4.978 6.599 -0.2410 -0.0691 -0.2347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18017 5481SOL HW118015 2.764 4.993 6.685 0.6276 -1.3357 0.5178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18018 5481SOL HW218016 2.787 4.889 6.561 0.6045 -0.2444 -0.4213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18019 5482SOL OW18017 3.382 4.808 6.633 -0.1139 0.3833 -0.1340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18020 5482SOL HW118018 3.376 4.896 6.679 -0.4327 0.1467 0.2882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18021 5482SOL HW218019 3.314 4.803 6.560 -0.7271 0.1454 0.4404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18022 5483SOL OW18020 2.884 3.666 6.702 -0.4438 0.4753 -0.0396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18023 5483SOL HW118021 2.924 3.697 6.616 0.9995 -1.5608 -0.1564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18024 5483SOL HW218022 2.900 3.735 6.773 0.0403 1.3184 -0.9512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18025 5484SOL OW18023 2.578 4.656 5.811 0.2413 0.0653 -0.3016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18026 5484SOL HW118024 2.600 4.583 5.877 1.6551 -0.0315 -0.8397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18027 5484SOL HW218025 2.620 4.634 5.723 0.4883 1.4087 -0.5336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18028 5485SOL OW18026 2.364 4.563 6.881 -0.1817 -0.3438 0.2794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18029 5485SOL HW118027 2.454 4.554 6.924 -1.2674 0.4365 2.8890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18030 5485SOL HW218028 2.322 4.472 6.872 0.3145 -0.5783 0.3040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18031 5486SOL OW18029 3.141 4.269 6.794 -0.3651 0.9315 0.7428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18032 5486SOL HW118030 3.108 4.267 6.888 0.4743 -3.1500 1.1332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18033 5486SOL HW218031 3.077 4.220 6.735 0.9282 0.0450 -0.0013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18034 5487SOL OW18032 1.951 5.318 6.922 0.0954 -0.2469 -0.8782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18035 5487SOL HW118033 1.864 5.367 6.912 -0.2998 -0.4005 1.2244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18036 5487SOL HW218034 1.991 5.338 7.011 2.1151 -0.4086 -1.6849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18037 5488SOL OW18035 2.077 4.769 6.282 0.3894 0.1676 0.2431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18038 5488SOL HW118036 2.003 4.805 6.339 -0.0084 -1.4323 0.8005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18039 5488SOL HW218037 2.043 4.755 6.189 0.9015 2.3216 -0.3210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18040 5489SOL OW18038 2.469 4.276 6.244 0.0167 0.3096 -0.0324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18041 5489SOL HW118039 2.470 4.362 6.193 0.8859 0.3189 -0.0200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18042 5489SOL HW218040 2.482 4.295 6.341 0.7595 0.1437 -0.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18043 5490SOL OW18041 3.200 5.078 5.942 0.2635 0.3528 0.4489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18044 5490SOL HW118042 3.297 5.094 5.927 0.2467 -0.6839 -1.0792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18045 5490SOL HW218043 3.158 5.160 5.981 1.4753 1.3342 -0.2286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18046 5491SOL OW18044 2.947 5.253 6.545 0.0539 0.4532 0.1502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18047 5491SOL HW118045 3.031 5.240 6.598 -0.0580 -1.0308 0.0141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18048 5491SOL HW218046 2.899 5.166 6.538 -1.7565 1.3589 0.6169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18049 5492SOL OW18047 3.340 4.376 5.978 -0.0471 -0.7569 -0.1366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18050 5492SOL HW118048 3.253 4.416 6.008 -0.1737 -1.3966 0.3481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18051 5492SOL HW218049 3.415 4.425 6.021 -0.1992 -0.9474 0.3465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18052 5493SOL OW18050 2.242 5.489 6.722 -0.2532 -0.1757 0.3394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18053 5493SOL HW118051 2.194 5.401 6.720 -0.6885 0.0598 -1.4001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18054 5493SOL HW218052 2.318 5.486 6.658 0.2842 0.4283 0.9453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18055 5494SOL OW18053 2.470 4.545 7.248 -0.5430 0.0478 -0.3239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18056 5494SOL HW118054 2.535 4.486 7.296 1.7439 2.7496 0.1808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18057 5494SOL HW218055 2.499 4.557 7.154 0.4421 2.1653 0.2040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18058 5495SOL OW18056 3.562 4.303 7.216 -0.3135 -0.2338 0.0491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18059 5495SOL HW118057 3.552 4.209 7.183 -1.1619 -0.0048 -0.3677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18060 5495SOL HW218058 3.587 4.363 7.140 0.7055 -0.1906 0.4046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18061 5496SOL OW18059 2.510 4.575 6.644 -0.0766 -0.0857 0.0306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18062 5496SOL HW118060 2.513 4.660 6.592 -2.3154 0.5172 0.7581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18063 5496SOL HW218061 2.455 4.588 6.726 2.8385 -1.1446 2.3574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18064 5497SOL OW18062 3.182 4.816 6.457 -0.0210 0.3832 0.1760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18065 5497SOL HW118063 3.210 4.853 6.369 -1.9557 0.2827 -0.5156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18066 5497SOL HW218064 3.120 4.739 6.443 0.9366 -0.7152 1.6295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18067 5498SOL OW18065 3.016 4.158 5.556 -0.3827 0.0657 -0.6178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18068 5498SOL HW118066 3.038 4.060 5.559 1.1692 0.3801 2.7802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18069 5498SOL HW218067 3.101 4.211 5.558 -1.1347 1.3890 2.5326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18070 5499SOL OW18068 2.317 3.968 6.750 0.2407 -0.2545 -0.1074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18071 5499SOL HW118069 2.315 4.026 6.831 -0.0368 1.0649 -1.0337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18072 5499SOL HW218070 2.268 3.883 6.769 0.5029 -0.1352 1.2154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18073 5500SOL OW18071 1.870 5.044 6.848 -0.7155 0.6333 -0.1941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18074 5500SOL HW118072 1.847 4.967 6.907 -0.6646 0.0872 -0.8740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18075 5500SOL HW218073 1.908 5.118 6.903 -2.2409 0.7936 0.6859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18076 5501SOL OW18074 2.548 4.354 6.500 -0.0634 0.4187 -0.1090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18077 5501SOL HW118075 2.629 4.365 6.441 -0.1120 -0.4592 -0.3523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18078 5501SOL HW218076 2.550 4.423 6.572 0.4308 0.9831 -0.6538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18079 5502SOL OW18077 1.923 3.948 6.139 -0.5861 0.6430 -0.2074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18080 5502SOL HW118078 1.827 3.979 6.133 -0.4944 0.9668 -0.0315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18081 5502SOL HW218079 1.983 4.023 6.113 -0.3711 0.4983 -0.1240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18082 5503SOL OW18080 3.471 4.265 5.760 -0.5621 -0.3690 -0.5907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18083 5503SOL HW118081 3.499 4.170 5.774 1.3845 0.1641 -0.5381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18084 5503SOL HW218082 3.435 4.302 5.846 0.6788 -0.4568 -0.0105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18085 5504SOL OW18083 3.014 4.600 6.415 -0.0778 0.4048 -0.5861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18086 5504SOL HW118084 3.063 4.559 6.492 0.0596 1.0591 -0.3115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18087 5504SOL HW218085 3.041 4.556 6.330 0.7260 0.5201 -0.3965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18088 5505SOL OW18086 3.396 5.314 6.954 -0.0966 -0.2333 0.2036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18089 5505SOL HW118087 3.424 5.300 6.859 -0.1496 -1.5567 0.3728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18090 5505SOL HW218088 3.370 5.227 6.995 -1.1710 0.4748 1.0972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18091 5506SOL OW18089 3.279 3.892 5.682 0.3408 0.2350 -0.6985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18092 5506SOL HW118090 3.223 3.830 5.737 0.3676 -0.4323 -1.4113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18093 5506SOL HW218091 3.360 3.919 5.734 -1.1957 2.2248 0.8574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18094 5507SOL OW18092 3.229 4.781 5.805 -0.5623 0.5955 0.2067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18095 5507SOL HW118093 3.221 4.682 5.796 -0.7454 0.6952 -0.8610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18096 5507SOL HW218094 3.314 4.804 5.851 0.5162 0.0049 -1.4188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18097 5508SOL OW18095 2.950 5.188 6.230 -0.1891 0.0406 -0.2330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18098 5508SOL HW118096 2.909 5.097 6.242 -0.3101 0.1675 0.3301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18099 5508SOL HW218097 2.975 5.200 6.134 -2.0807 0.2036 -0.7523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18100 5509SOL OW18098 2.182 4.628 6.671 0.3484 0.1809 -0.1116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18101 5509SOL HW118099 2.241 4.572 6.728 -0.2552 0.4282 0.7600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18102 5509SOL HW218100 2.176 4.588 6.579 0.9590 -0.4528 0.1206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18103 5510SOL OW18101 2.287 4.357 6.580 -1.3451 0.3981 0.3107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18104 5510SOL HW118102 2.236 4.414 6.515 -0.6387 2.2828 1.3137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18105 5510SOL HW218103 2.382 4.347 6.548 -1.6711 -1.0028 -0.2953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18106 5511SOL OW18104 2.899 3.937 6.847 0.9619 0.0019 0.0207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18107 5511SOL HW118105 2.895 3.987 6.933 2.2087 0.5910 -0.2365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18108 5511SOL HW218106 2.941 3.994 6.777 0.0827 -0.5163 -0.9575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18109 5512SOL OW18107 1.685 5.038 5.790 0.1174 -0.2094 0.4300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18110 5512SOL HW118108 1.643 5.043 5.699 2.0175 1.8187 -0.4075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18111 5512SOL HW218109 1.624 4.988 5.851 -1.6459 -0.8352 -1.6960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18112 5513SOL OW18110 1.956 5.498 6.516 0.2295 0.1184 0.1761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18113 5513SOL HW118111 1.899 5.441 6.456 0.2509 0.7429 -0.4427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18114 5513SOL HW218112 2.052 5.471 6.505 0.4555 1.4636 -1.4878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18115 5514SOL OW18113 2.295 5.145 6.449 -0.4308 -0.1801 -0.0505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18116 5514SOL HW118114 2.385 5.185 6.434 -0.3071 -0.6839 -0.6778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18117 5514SOL HW218115 2.290 5.055 6.405 -0.1045 -1.6895 2.7677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18118 5515SOL OW18116 3.175 4.518 6.608 -0.2512 -0.2748 -0.3584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18119 5515SOL HW118117 3.189 4.580 6.685 -0.4658 0.3717 -0.8285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18120 5515SOL HW218118 3.166 4.424 6.642 -0.7145 0.0448 0.4295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18121 5516SOL OW18119 1.994 4.309 6.565 0.2842 -0.1924 -0.3661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18122 5516SOL HW118120 2.084 4.350 6.581 1.1015 -1.7369 -0.8268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18123 5516SOL HW218121 2.005 4.221 6.519 -1.5137 -0.1005 -1.0566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18124 5517SOL OW18122 2.462 4.256 5.556 -0.0866 -0.1689 -0.7418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18125 5517SOL HW118123 2.505 4.208 5.479 -0.6485 0.3002 -1.3580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18126 5517SOL HW218124 2.439 4.349 5.528 -0.5167 -0.0694 -0.0745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18127 5518SOL OW18125 3.574 4.456 6.593 -0.0023 -0.3279 0.3245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18128 5518SOL HW118126 3.510 4.386 6.626 -0.4041 0.4882 1.2929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18129 5518SOL HW218127 3.660 4.412 6.567 -0.2735 -1.1986 0.8553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18130 5519SOL OW18128 1.982 5.400 7.188 -0.0138 -0.3165 -0.3867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18131 5519SOL HW118129 1.953 5.368 7.279 -0.6706 -0.5007 -0.6612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18132 5519SOL HW218130 2.080 5.383 7.177 -0.3410 -2.4176 -0.5709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18133 5520SOL OW18131 2.678 4.172 6.691 0.3207 -0.3032 0.4573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18134 5520SOL HW118132 2.671 4.074 6.675 -0.0022 -0.0980 -0.7108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18135 5520SOL HW218133 2.604 4.219 6.643 2.4495 0.8175 -1.8853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18136 5521SOL OW18134 2.639 5.302 6.922 -0.1929 0.2115 0.0176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18137 5521SOL HW118135 2.641 5.278 7.020 -0.4231 0.5492 0.1063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18138 5521SOL HW218136 2.547 5.285 6.886 -0.2363 0.5327 -0.0257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18139 5522SOL OW18137 2.134 4.373 5.869 -0.2775 0.1639 -0.5202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18140 5522SOL HW118138 2.219 4.419 5.846 0.1263 0.7216 1.8706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18141 5522SOL HW218139 2.058 4.438 5.862 -0.1914 0.2707 -0.4683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18142 5523SOL OW18140 2.237 4.895 0.047 -0.7177 0.7356 -0.4265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18143 5523SOL HW118141 2.274 4.829 0.112 0.3566 1.5783 -0.1576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18144 5523SOL HW218142 2.244 4.858 -0.045 0.6064 0.7704 -0.3524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18145 5524SOL OW18143 3.080 4.938 6.715 -0.2993 0.2898 -0.0340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18146 5524SOL HW118144 3.131 4.908 6.634 -0.8765 -2.0182 0.4162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18147 5524SOL HW218145 2.999 4.989 6.686 -0.1265 0.1050 -0.8727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18148 5525SOL OW18146 3.061 4.871 5.583 -0.8909 0.2238 -0.4966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18149 5525SOL HW118147 3.027 4.959 5.616 -0.3241 0.6461 -1.0244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18150 5525SOL HW218148 3.116 4.828 5.654 2.1782 2.1303 -1.5323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18151 5526SOL OW18149 3.509 5.339 6.459 0.5226 -0.0269 -0.3795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18152 5526SOL HW118150 3.489 5.250 6.417 2.4614 0.6293 -2.9840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18153 5526SOL HW218151 3.439 5.405 6.432 -1.6162 -0.8801 2.5507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18154 5527SOL OW18152 2.973 5.518 6.660 0.7449 -0.1459 0.0800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18155 5527SOL HW118153 3.059 5.525 6.712 2.0077 1.9667 -2.0761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18156 5527SOL HW218154 2.978 5.439 6.598 0.7288 -0.5747 0.6186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18157 5528SOL OW18155 1.995 5.012 6.559 -0.4500 -0.3195 -0.3483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18158 5528SOL HW118156 1.989 5.012 6.659 -0.1903 -1.0186 -0.3295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18159 5528SOL HW218157 1.941 4.936 6.523 -0.8053 0.1239 -0.7604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18160 5529SOL OW18158 3.871 4.168 5.867 0.1450 0.1255 -0.8315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18161 5529SOL HW118159 3.809 4.214 5.804 -1.3140 0.1009 0.5169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18162 5529SOL HW218160 3.957 4.218 5.872 -0.4500 1.2373 -1.3592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18163 5530SOL OW18161 3.422 5.194 5.991 -0.0479 -0.0579 0.0766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18164 5530SOL HW118162 3.437 5.255 5.913 0.8323 -0.2258 0.1136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18165 5530SOL HW218163 3.368 5.242 6.060 -0.0739 0.3923 -0.2518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18166 5531SOL OW18164 3.078 4.588 6.114 -0.2912 -0.1504 -0.0291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18167 5531SOL HW118165 3.177 4.596 6.125 0.0511 0.5305 -2.7640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18168 5531SOL HW218166 3.045 4.661 6.052 -2.3736 -0.8301 0.1915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18169 5532SOL OW18167 2.434 4.930 7.000 0.2420 -0.4116 1.0698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18170 5532SOL HW118168 2.364 4.859 7.002 -0.2389 -0.0456 -0.8129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18171 5532SOL HW218169 2.391 5.020 6.992 0.8233 0.2094 3.8807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18172 5533SOL OW18170 2.355 5.324 5.604 -0.5929 0.4634 0.1491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18173 5533SOL HW118171 2.340 5.296 5.509 3.7345 2.2260 -1.2791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18174 5533SOL HW218172 2.384 5.245 5.658 -0.3703 -0.0501 -0.7096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18175 5534SOL OW18173 3.190 5.530 6.796 -0.5912 0.0817 -0.1893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18176 5534SOL HW118174 3.282 5.531 6.756 0.1533 0.8750 1.4617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18177 5534SOL HW218175 3.183 5.603 6.864 -1.5097 -1.7101 1.7429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18178 5535SOL OW18176 3.478 3.726 6.632 -0.6305 -0.4577 -0.7003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18179 5535SOL HW118177 3.541 3.648 6.625 -1.3115 -0.9433 -1.8142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18180 5535SOL HW218178 3.396 3.706 6.578 0.1305 1.9583 -2.9402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18181 5536SOL OW18179 1.832 4.267 6.286 -0.4062 -0.0225 0.6920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18182 5536SOL HW118180 1.786 4.210 6.218 -0.6304 -0.8764 1.5336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18183 5536SOL HW218181 1.876 4.209 6.354 2.4711 0.7342 -0.3733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18184 5537SOL OW18182 3.054 5.248 5.494 0.3860 0.6554 0.3429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18185 5537SOL HW118183 3.068 5.190 5.574 1.1765 1.8332 1.0908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18186 5537SOL HW218184 3.065 5.194 5.411 -1.6937 -0.8729 0.9968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18187 5538SOL OW18185 2.727 4.715 7.182 0.2021 -0.3840 -0.2023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18188 5538SOL HW118186 2.804 4.706 7.119 0.8197 -1.5189 0.6914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18189 5538SOL HW218187 2.747 4.787 7.249 -0.2125 0.4199 -0.9184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18190 5539SOL OW18188 2.713 4.569 5.567 -0.5380 0.2703 -1.5820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18191 5539SOL HW118189 2.779 4.567 5.491 -1.0446 -0.1344 -2.0267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18192 5539SOL HW218190 2.750 4.516 5.643 -0.2817 0.1658 -1.7733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18193 5540SOL OW18191 3.404 5.352 5.495 -0.7760 -0.2245 0.5912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18194 5540SOL HW118192 3.318 5.401 5.509 -0.4066 0.3856 0.7603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18195 5540SOL HW218193 3.447 5.384 5.411 -0.0513 0.4736 1.2084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18196 5541SOL OW18194 2.290 5.174 0.077 0.6401 0.1134 0.7606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18197 5541SOL HW118195 2.279 5.233 -0.003 -0.4706 0.0361 0.8481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18198 5541SOL HW218196 2.281 5.079 0.050 0.5660 0.0719 0.9292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18199 5542SOL OW18197 3.355 5.067 6.688 0.7520 0.0432 -0.2969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18200 5542SOL HW118198 3.421 5.140 6.703 0.4717 0.0612 0.9256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18201 5542SOL HW218199 3.263 5.100 6.711 0.5760 -0.5781 -0.1003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18202 5543SOL OW18200 2.798 4.829 6.193 -0.0587 0.2244 -0.6660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18203 5543SOL HW118201 2.774 4.820 6.290 0.2345 -0.8665 -0.6828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18204 5543SOL HW218202 2.848 4.748 6.164 -0.3892 0.4236 -1.8161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18205 5544SOL OW18203 2.971 4.033 6.396 -0.0334 0.3769 0.3262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18206 5544SOL HW118204 2.919 4.016 6.312 3.3042 0.5075 -1.9532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18207 5544SOL HW218205 2.981 3.947 6.446 -3.4584 0.5796 1.6611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18208 5545SOL OW18206 2.319 5.108 6.022 -0.2259 0.3471 -0.7045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18209 5545SOL HW118207 2.324 5.086 5.925 -1.7202 -1.7047 -0.4029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18210 5545SOL HW218208 2.233 5.155 6.041 -0.0432 0.5408 -0.3487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18211 5546SOL OW18209 3.575 4.116 6.821 0.3126 0.2474 -0.2806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18212 5546SOL HW118210 3.645 4.143 6.887 -0.3059 -0.6132 0.7369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18213 5546SOL HW218211 3.613 4.048 6.759 1.4232 2.2470 -1.9387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18214 5547SOL OW18212 1.955 4.937 5.885 -0.5421 -0.0539 0.2544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18215 5547SOL HW118213 1.867 4.966 5.846 0.0888 0.8494 -0.5400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18216 5547SOL HW218214 1.992 5.010 5.942 0.5113 0.2894 -0.8264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18217 5548SOL OW18215 1.732 4.792 0.018 -0.8202 -0.3700 0.0457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18218 5548SOL HW118216 1.690 4.865 -0.037 -0.3491 -0.2851 -0.1965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18219 5548SOL HW218217 1.825 4.818 0.043 -1.3761 0.0721 1.8149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18220 5549SOL OW18218 2.613 3.714 6.779 -0.2768 -0.4215 0.6263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18221 5549SOL HW118219 2.701 3.696 6.737 -0.8786 -0.7156 -0.5433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18222 5549SOL HW218220 2.625 3.727 6.878 1.0213 -0.7457 0.5252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18223 5550SOL OW18221 1.853 4.212 5.585 -0.0415 -0.1125 0.6514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18224 5550SOL HW118222 1.823 4.180 5.496 2.6383 -1.1826 0.0214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18225 5550SOL HW218223 1.877 4.309 5.580 0.3608 -0.2358 0.1184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18226 5551SOL OW18224 3.098 4.907 6.985 -0.1790 -0.6898 1.0456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18227 5551SOL HW118225 3.097 4.914 6.885 1.5127 0.2997 1.0477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18228 5551SOL HW218226 3.096 4.999 7.025 -3.1628 -1.0998 2.0435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18229 5552SOL OW18227 1.793 4.021 5.769 0.3854 -0.9150 -0.0748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18230 5552SOL HW118228 1.789 3.946 5.703 -0.6898 -0.4119 -0.6109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18231 5552SOL HW218229 1.815 4.106 5.722 -1.9263 -0.2699 -0.0881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18232 5553SOL OW18230 2.992 5.086 5.755 -0.3151 -0.0555 0.9492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18233 5553SOL HW118231 2.910 5.116 5.805 0.5445 1.2747 1.6275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18234 5553SOL HW218232 3.061 5.056 5.821 0.5033 0.8417 0.5163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18235 5554SOL OW18233 2.604 4.521 7.022 0.4378 0.3152 0.0623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18236 5554SOL HW118234 2.651 4.603 7.055 -1.5742 0.6885 2.2438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18237 5554SOL HW218235 2.650 4.440 7.058 1.3981 0.5102 -0.6726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18238 5555SOL OW18236 3.300 5.500 6.413 -0.4928 0.2374 -0.2157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18239 5555SOL HW118237 3.292 5.600 6.414 0.0560 0.2917 -0.7167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18240 5555SOL HW218238 3.218 5.460 6.372 -0.0476 0.5699 -1.4803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18241 5556SOL OW18239 2.557 4.144 7.068 0.6667 -0.0325 0.2254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18242 5556SOL HW118240 2.575 4.232 7.113 -0.1544 1.4737 -2.2104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18243 5556SOL HW218241 2.595 4.070 7.124 0.1466 1.6942 3.0806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18244 5557SOL OW18242 1.877 5.666 7.171 -0.6279 -0.1486 -0.7088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18245 5557SOL HW118243 1.811 5.703 7.236 -0.3392 0.8259 -0.9495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18246 5557SOL HW218244 1.906 5.575 7.200 -0.6762 0.1759 0.4108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18247 5558SOL OW18245 3.570 4.657 6.781 0.7058 0.1002 0.4429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18248 5558SOL HW118246 3.580 4.581 6.716 0.9178 0.2567 0.2917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18249 5558SOL HW218247 3.497 4.718 6.751 0.8780 0.2327 0.2905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18250 5559SOL OW18248 3.059 4.175 5.972 0.1747 0.6352 -0.3254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18251 5559SOL HW118249 3.096 4.120 5.897 -0.5515 0.6239 -0.6844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18252 5559SOL HW218250 3.007 4.117 6.035 0.5110 0.6972 0.0116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18253 5560SOL OW18251 2.434 4.206 5.860 0.3886 0.0801 -0.0815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18254 5560SOL HW118252 2.467 4.295 5.893 1.3974 0.4819 -1.9906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18255 5560SOL HW218253 2.443 4.202 5.760 1.7323 -2.6792 0.0409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18256 5561SOL OW18254 3.604 4.527 7.036 -0.5394 -0.3088 -0.3803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18257 5561SOL HW118255 3.606 4.596 7.109 2.9437 -0.8684 0.2207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18258 5561SOL HW218256 3.596 4.573 6.948 0.1033 0.7682 0.0985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18259 5562SOL OW18257 2.654 4.961 5.538 -0.3482 0.2771 -0.2836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18260 5562SOL HW118258 2.663 4.930 5.632 -2.5028 0.9297 0.1959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18261 5562SOL HW218259 2.715 5.039 5.523 3.2989 -2.4059 -0.8173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18262 5563SOL OW18260 2.548 5.292 6.513 0.3292 -0.2899 0.2417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18263 5563SOL HW118261 2.512 5.385 6.521 -0.4941 -0.5206 -0.4974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18264 5563SOL HW218262 2.629 5.292 6.454 -1.7307 -0.4495 -2.8634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18265 5564SOL OW18263 2.773 4.723 6.471 0.5560 0.0503 0.2462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18266 5564SOL HW118264 2.866 4.685 6.467 -0.0671 -1.3931 -1.4792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18267 5564SOL HW218265 2.707 4.649 6.478 -0.5165 1.0639 1.2612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18268 5565SOL OW18266 2.904 4.714 5.389 -0.5487 -0.1331 -0.0308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18269 5565SOL HW118267 2.875 4.792 5.333 -0.7693 0.6314 1.1073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18270 5565SOL HW218268 2.956 4.748 5.468 -0.6262 -1.1427 0.4609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18271 5566SOL OW18269 3.530 5.078 6.363 -0.0351 -0.4248 -0.6706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18272 5566SOL HW118270 3.430 5.080 6.372 0.0979 2.2245 1.2099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18273 5566SOL HW218271 3.567 5.007 6.424 -0.6932 -0.5292 -0.3778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18274 5567SOL OW18272 1.998 5.142 6.310 -0.0478 -0.0572 -0.3191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18275 5567SOL HW118273 1.932 5.215 6.294 1.0375 0.9690 -0.2185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18276 5567SOL HW218274 1.995 5.114 6.406 0.4037 0.7417 -0.0632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18277 5568SOL OW18275 2.602 5.246 7.190 -0.1106 -0.8562 -0.2848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18278 5568SOL HW118276 2.517 5.298 7.198 -0.2655 -1.2604 0.9780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18279 5568SOL HW218277 2.584 5.149 7.208 1.0709 -0.5364 3.6670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18280 5569SOL OW18278 3.452 3.841 6.899 -0.5843 -1.1386 0.2055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18281 5569SOL HW118279 3.550 3.838 6.919 -0.8821 -0.3943 1.9630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18282 5569SOL HW218280 3.435 3.795 6.812 1.7085 1.4897 -1.8224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18283 5570SOL OW18281 2.090 4.345 6.197 -0.0415 0.2472 0.2015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18284 5570SOL HW118282 2.121 4.273 6.134 0.8164 -0.4578 1.3804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18285 5570SOL HW218283 1.998 4.322 6.229 -1.0028 1.2298 -1.6486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18286 5571SOL OW18284 3.229 5.147 6.303 -0.3260 -0.1467 0.3338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18287 5571SOL HW118285 3.246 5.073 6.237 -0.1918 -0.2097 0.4391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18288 5571SOL HW218286 3.134 5.143 6.333 -1.5419 2.1934 -2.7287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18289 5572SOL OW18287 2.212 4.348 6.834 -0.5290 0.2372 0.4419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18290 5572SOL HW118288 2.255 4.275 6.886 1.7306 0.5928 -0.7900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18291 5572SOL HW218289 2.227 4.333 6.737 -0.9007 1.8014 0.1149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18292 5573SOL OW18290 2.600 5.176 6.052 0.2090 0.1743 -0.1677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18293 5573SOL HW118291 2.596 5.276 6.047 0.5734 0.2471 0.8626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18294 5573SOL HW218292 2.509 5.140 6.071 -0.0000 0.2765 -0.9382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18295 5574SOL OW18293 3.416 4.249 6.669 0.1342 -0.1521 0.1210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18296 5574SOL HW118294 3.468 4.184 6.725 0.9661 -0.1324 -0.6033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18297 5574SOL HW218295 3.326 4.262 6.709 0.9545 0.4405 1.8715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18298 5575SOL OW18296 3.024 3.768 6.473 0.3394 0.2171 0.2951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18299 5575SOL HW118297 3.001 3.721 6.388 2.5079 0.0132 -0.2568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18300 5575SOL HW218298 3.117 3.743 6.500 -0.4301 -0.0627 2.9957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18301 5576SOL OW18299 2.661 4.908 5.804 -0.3143 -0.2571 -0.3888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18302 5576SOL HW118300 2.640 4.814 5.831 -0.6095 0.0869 0.6250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18303 5576SOL HW218301 2.723 4.949 5.871 -1.2738 0.7037 -0.0479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18304 5577SOL OW18302 2.221 5.319 7.120 0.1339 -0.4330 0.0176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18305 5577SOL HW118303 2.253 5.398 7.068 -4.1506 1.4812 -0.1321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18306 5577SOL HW218304 2.235 5.236 7.066 4.8234 -0.0104 0.2152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18307 5578SOL OW18305 3.088 3.705 5.726 -0.4252 -0.3737 0.4172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18308 5578SOL HW118306 3.086 3.666 5.634 0.4398 -0.0956 0.2705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18309 5578SOL HW218307 2.996 3.707 5.763 -0.7241 -0.9043 -0.2697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18310 5579SOL OW18308 3.118 4.462 5.791 0.5308 0.5738 0.6955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18311 5579SOL HW118309 3.030 4.486 5.833 1.0160 1.1339 1.4045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18312 5579SOL HW218310 3.149 4.374 5.826 -0.2126 -0.1267 -0.3099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18313 5580SOL OW18311 3.387 4.275 6.401 0.4225 0.1879 0.3802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18314 5580SOL HW118312 3.399 4.271 6.501 0.2018 1.1775 0.4558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18315 5580SOL HW218313 3.385 4.371 6.372 0.0982 -0.0922 -0.5353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18316 5581SOL OW18314 1.659 4.620 6.031 0.3139 0.5189 -0.1995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18317 5581SOL HW118315 1.734 4.607 6.096 -1.6851 0.5546 2.2990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18318 5581SOL HW218316 1.619 4.531 6.008 0.5092 0.5723 -0.7574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18319 5582SOL OW18317 2.809 5.271 5.842 -0.1357 0.1860 0.4011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18320 5582SOL HW118318 2.815 5.285 5.743 0.3466 2.0387 0.6460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18321 5582SOL HW218319 2.731 5.322 5.878 0.2400 0.2996 1.0755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18322 5583SOL OW18320 1.876 6.365 7.197 -0.0872 -0.1353 -0.1579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18323 5583SOL HW118321 1.783 6.400 7.184 -0.9049 -2.1454 -0.2387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18324 5583SOL HW218322 1.923 6.363 7.108 1.0171 3.1917 0.2179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18325 5584SOL OW18323 2.009 5.878 1.026 0.1275 0.1988 -0.0176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18326 5584SOL HW118324 2.062 5.862 1.109 -1.8793 -2.8529 0.8549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18327 5584SOL HW218325 1.918 5.838 1.036 -0.2870 -0.1144 -3.6065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18328 5585SOL OW18326 1.870 5.979 0.607 0.0480 0.0139 -0.5017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18329 5585SOL HW118327 1.793 6.017 0.658 -0.8063 -1.0587 -0.9598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18330 5585SOL HW218328 1.836 5.921 0.533 1.2964 -0.4826 -0.7099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18331 5586SOL OW18329 2.305 6.751 1.232 -0.4926 0.3389 -0.0180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18332 5586SOL HW118330 2.251 6.798 1.162 2.2739 0.3710 -2.3195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18333 5586SOL HW218331 2.252 6.676 1.270 -1.3718 -1.3236 -4.0108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18334 5587SOL OW18332 3.328 6.879 0.778 -0.2809 0.0603 0.1366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18335 5587SOL HW118333 3.266 6.901 0.853 -0.0582 1.9009 -0.1609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18336 5587SOL HW218334 3.278 6.832 0.706 -0.7571 -0.6838 0.9315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18337 5588SOL OW18335 3.069 6.165 0.597 -0.0166 0.2363 0.0140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18338 5588SOL HW118336 3.083 6.246 0.654 1.1800 -0.6012 0.9693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18339 5588SOL HW218337 2.975 6.133 0.609 -0.2496 0.9820 0.2902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18340 5589SOL OW18338 3.726 6.212 7.223 -0.1208 0.2611 0.2758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18341 5589SOL HW118339 3.703 6.304 7.254 1.2737 0.5358 0.5547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18342 5589SOL HW218340 3.645 6.169 7.184 -0.5812 1.9548 -0.7427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18343 5590SOL OW18341 2.510 6.725 0.996 0.0193 0.1595 0.0905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18344 5590SOL HW118342 2.429 6.746 1.051 -1.4021 -2.9349 -0.6034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18345 5590SOL HW218343 2.500 6.764 0.905 0.1288 1.2100 0.5160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18346 5591SOL OW18344 2.736 6.209 1.601 0.2911 -0.0004 0.2185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18347 5591SOL HW118345 2.764 6.258 1.683 0.0510 -0.2035 0.4213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18348 5591SOL HW218346 2.731 6.273 1.524 2.0349 -0.0714 -0.0110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18349 5592SOL OW18347 2.594 6.475 0.521 0.2631 0.3687 0.4987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18350 5592SOL HW118348 2.642 6.400 0.568 -0.5717 -0.2398 0.4092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18351 5592SOL HW218349 2.499 6.477 0.552 -0.0694 0.5283 -0.5197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18352 5593SOL OW18350 2.428 6.804 1.946 -0.1520 0.6613 -0.3816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18353 5593SOL HW118351 2.433 6.711 1.908 -1.7368 -0.4574 1.9123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18354 5593SOL HW218352 2.340 6.817 1.990 0.4235 2.9491 0.2151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18355 5594SOL OW18353 2.196 6.915 1.045 0.1252 -0.4827 -0.7000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18356 5594SOL HW118354 2.096 6.915 1.039 -0.0082 -2.1248 0.6975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18357 5594SOL HW218355 2.235 6.888 0.957 -0.7423 -1.2695 -0.8641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18358 5595SOL OW18356 3.233 6.982 1.529 -0.2347 0.1322 -0.2776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18359 5595SOL HW118357 3.269 7.075 1.522 -0.1813 0.0684 -0.9206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18360 5595SOL HW218358 3.133 6.985 1.527 -0.2333 0.0832 -1.8765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18361 5596SOL OW18359 2.528 6.031 1.591 -0.0977 0.3172 0.8781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18362 5596SOL HW118360 2.614 6.058 1.634 -0.1409 0.2508 1.0087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18363 5596SOL HW218361 2.485 5.959 1.646 -1.3070 1.8302 2.0338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18364 5597SOL OW18362 3.540 5.952 0.668 -0.3192 0.1735 -1.2447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18365 5597SOL HW118363 3.442 5.937 0.652 -0.2912 -1.4261 -0.1917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18366 5597SOL HW218364 3.553 5.990 0.759 0.0644 -0.2328 -1.1280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18367 5598SOL OW18365 2.907 6.794 1.976 -0.1217 -0.1746 0.0796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18368 5598SOL HW118366 3.004 6.807 1.955 -0.5210 2.0105 -0.7546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18369 5598SOL HW218367 2.888 6.697 1.989 1.4837 -1.0959 -3.3528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18370 5599SOL OW18368 1.872 6.996 0.754 -0.0124 -0.6852 0.3894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18371 5599SOL HW118369 1.779 7.006 0.719 0.0625 -2.5975 -0.4880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18372 5599SOL HW218370 1.869 6.968 0.850 -0.3625 -0.9321 0.3081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18373 5600SOL OW18371 2.321 6.544 0.718 0.3165 -0.5737 0.1441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18374 5600SOL HW118372 2.239 6.487 0.712 -0.1927 0.0665 0.8415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18375 5600SOL HW218373 2.361 6.534 0.809 -0.7434 1.4386 0.8982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18376 5601SOL OW18374 2.394 6.474 0.191 0.8737 -0.1273 -0.3195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18377 5601SOL HW118375 2.398 6.533 0.111 1.4648 -0.2111 -0.3613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18378 5601SOL HW218376 2.479 6.484 0.244 0.9535 -0.8707 -0.2908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18379 5602SOL OW18377 3.405 5.650 1.382 0.4174 -0.4577 -0.2553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18380 5602SOL HW118378 3.471 5.722 1.362 0.2032 -0.6508 -1.7717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18381 5602SOL HW218379 3.432 5.603 1.466 1.2761 0.5336 0.0505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18382 5603SOL OW18380 2.033 6.371 0.723 0.2612 -0.1045 0.5001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18383 5603SOL HW118381 2.101 6.299 0.739 0.3090 0.0594 1.0592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18384 5603SOL HW218382 1.968 6.373 0.799 0.2653 0.4449 0.4965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18385 5604SOL OW18383 1.889 7.245 0.891 0.1433 0.1795 0.4274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18386 5604SOL HW118384 1.970 7.260 0.947 -1.0575 -0.0079 2.2985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18387 5604SOL HW218385 1.901 7.162 0.836 0.3999 -1.1041 2.3318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18388 5605SOL OW18386 3.440 6.405 0.752 -0.2105 -0.2927 0.1141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18389 5605SOL HW118387 3.408 6.343 0.680 -0.8114 -1.6955 1.5502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18390 5605SOL HW218388 3.529 6.443 0.726 -1.9924 2.2500 -3.1226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18391 5606SOL OW18389 3.505 6.626 0.479 -0.1493 -0.0983 -0.1714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18392 5606SOL HW118390 3.586 6.612 0.422 0.1058 -0.6333 0.3089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18393 5606SOL HW218391 3.527 6.689 0.553 -0.4042 0.3820 -0.4984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18394 5607SOL OW18392 1.946 6.375 1.416 0.3088 0.3448 -0.3159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18395 5607SOL HW118393 1.985 6.442 1.478 0.8092 -0.8796 0.7359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18396 5607SOL HW218394 1.872 6.418 1.363 1.1473 1.9148 -0.2755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18397 5608SOL OW18395 2.378 6.828 0.515 0.3302 0.0938 0.0928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18398 5608SOL HW118396 2.294 6.786 0.481 1.8531 -1.8805 -1.5782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18399 5608SOL HW218397 2.367 6.927 0.519 -1.3832 0.0798 -2.2205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18400 5609SOL OW18398 2.929 6.592 1.677 -0.3214 0.3235 -0.0009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18401 5609SOL HW118399 2.884 6.679 1.656 0.5849 1.4815 2.3973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18402 5609SOL HW218400 3.026 6.599 1.655 -0.2390 -0.0582 0.2358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18403 5610SOL OW18401 2.657 5.676 0.353 0.2312 -0.0214 0.0475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18404 5610SOL HW118402 2.752 5.697 0.328 1.5409 -3.3850 1.5479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18405 5610SOL HW218403 2.634 5.725 0.438 -0.1623 2.3155 -1.3150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18406 5611SOL OW18404 2.206 6.546 1.373 -0.6051 0.0837 -0.0921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18407 5611SOL HW118405 2.272 6.504 1.435 0.3513 1.9882 0.2460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18408 5611SOL HW218406 2.182 6.480 1.301 0.3597 -1.2161 0.7236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18409 5612SOL OW18407 3.423 6.557 0.235 -0.4742 0.1629 -0.7892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18410 5612SOL HW118408 3.390 6.463 0.241 0.8156 -0.2675 -0.0242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18411 5612SOL HW218409 3.446 6.591 0.326 -0.1131 0.9083 -1.1425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18412 5613SOL OW18410 2.313 5.969 1.907 0.2349 -0.3340 -0.5460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18413 5613SOL HW118411 2.371 6.010 1.978 0.8511 -2.0160 -0.0267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18414 5613SOL HW218412 2.225 6.016 1.904 1.8053 2.8195 -1.8701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18415 5614SOL OW18413 3.148 6.877 0.993 0.1322 0.3428 0.0490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18416 5614SOL HW118414 3.126 6.912 1.084 -1.0034 1.5212 -0.6356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18417 5614SOL HW218415 3.067 6.882 0.935 0.4828 -1.5869 -0.6915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18418 5615SOL OW18416 2.414 6.219 0.421 -0.2222 -0.3199 0.1353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18419 5615SOL HW118417 2.427 6.294 0.356 1.2891 -2.2757 -1.9571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18420 5615SOL HW218418 2.359 6.147 0.380 -0.0784 -1.1825 1.3846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18421 5616SOL OW18419 3.089 5.730 0.889 -0.2078 -0.3772 -0.6413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18422 5616SOL HW118420 3.057 5.732 0.794 -1.1401 0.1442 -0.3266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18423 5616SOL HW218421 3.016 5.697 0.949 -0.0582 0.4866 0.0439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18424 5617SOL OW18422 3.343 0.041 0.250 -0.0728 -0.5083 -0.3676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18425 5617SOL HW118423 3.339 0.090 0.337 1.8432 -1.0123 0.0565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18426 5617SOL HW218424 3.316 0.101 0.176 -2.3909 -0.2520 0.6094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18427 5618SOL OW18425 2.719 6.111 1.225 0.2380 -0.0764 0.2200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18428 5618SOL HW118426 2.737 6.071 1.315 -0.3520 0.2348 0.4796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18429 5618SOL HW218427 2.727 6.041 1.155 -1.7712 -0.8972 0.7583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18430 5619SOL OW18428 3.327 5.935 1.493 0.3013 -0.2004 0.1098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18431 5619SOL HW118429 3.322 6.026 1.535 0.0137 -0.1093 -0.1196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18432 5619SOL HW218430 3.422 5.903 1.496 0.8877 1.1371 -1.9572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18433 5620SOL OW18431 2.899 6.370 1.814 0.6358 -0.3210 0.1851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18434 5620SOL HW118432 2.978 6.314 1.793 0.4346 -1.0503 1.2643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18435 5620SOL HW218433 2.893 6.446 1.749 0.8368 -1.6078 -1.3730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18436 5621SOL OW18434 2.759 5.706 0.989 0.1418 0.5709 -0.5241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18437 5621SOL HW118435 2.724 5.799 0.995 0.1809 0.5483 0.0342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18438 5621SOL HW218436 2.717 5.660 0.910 -0.8815 0.6258 -0.0238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18439 5622SOL OW18437 2.887 6.319 0.337 0.2622 -0.0588 -0.3538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18440 5622SOL HW118438 2.981 6.349 0.355 0.2612 0.3999 -1.1153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18441 5622SOL HW218439 2.881 6.220 0.353 0.5817 0.0896 0.8446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18442 5623SOL OW18440 1.883 6.381 0.935 0.4176 -0.0857 -0.5353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18443 5623SOL HW118441 1.847 6.316 1.001 1.5610 -2.0700 -1.7608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18444 5623SOL HW218442 1.876 6.474 0.972 -2.1717 -0.7458 0.8627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18445 5624SOL OW18443 1.815 0.089 1.715 -0.4213 0.1291 -0.1444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18446 5624SOL HW118444 1.721 0.115 1.693 -0.5058 -1.6548 -2.2003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18447 5624SOL HW218445 1.818 -0.009 1.737 1.1632 -0.2935 -1.9730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18448 5625SOL OW18446 2.890 5.703 0.083 -0.1654 -0.7761 -0.3658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18449 5625SOL HW118447 2.972 5.694 0.027 -1.0612 -0.1950 -1.7981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18450 5625SOL HW218448 2.831 5.624 0.067 -0.8080 -0.1939 -0.8925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18451 5626SOL OW18449 3.509 5.908 1.804 0.6176 -0.0786 0.6064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18452 5626SOL HW118450 3.462 5.994 1.786 0.6554 -0.1380 0.2132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18453 5626SOL HW218451 3.550 5.874 1.719 2.2604 0.4895 1.1346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18454 5627SOL OW18452 3.220 6.588 0.575 0.2202 0.5142 -0.3212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18455 5627SOL HW118453 3.314 6.555 0.579 -0.2235 -0.8202 -0.2449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18456 5627SOL HW218454 3.219 6.684 0.548 1.5624 0.3249 -1.1410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18457 5628SOL OW18455 2.655 5.550 0.765 0.0957 0.1601 -0.2368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18458 5628SOL HW118456 2.607 5.618 0.710 1.6464 0.3194 -1.4475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18459 5628SOL HW218457 2.741 5.524 0.721 1.1754 -0.0976 1.8509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18460 5629SOL OW18458 2.951 6.901 0.577 -0.3216 0.2197 0.2855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18461 5629SOL HW118459 2.901 6.814 0.573 0.1204 -0.1176 1.6639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18462 5629SOL HW218460 2.900 6.970 0.527 -1.7958 -0.3098 0.9929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18463 5630SOL OW18461 2.164 0.010 0.947 -0.1525 -0.1632 -0.4071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18464 5630SOL HW118462 2.204 -0.081 0.934 0.8696 0.0279 1.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18465 5630SOL HW218463 2.198 0.048 1.033 -1.8694 0.9546 -0.1865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18466 5631SOL OW18464 3.616 6.687 0.938 -0.1643 0.0151 -0.1703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18467 5631SOL HW118465 3.640 6.751 0.865 0.7551 0.0219 0.1276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18468 5631SOL HW218466 3.534 6.719 0.985 -0.3391 0.3947 -0.7215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18469 5632SOL OW18467 2.961 7.033 1.492 0.8456 0.2977 -0.2118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18470 5632SOL HW118468 2.935 7.115 1.543 0.0919 -0.3626 0.4882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18471 5632SOL HW218469 2.913 6.954 1.530 0.8843 -0.3331 -1.4371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18472 5633SOL OW18470 2.132 6.505 0.044 0.1395 -0.2716 0.3784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18473 5633SOL HW118471 2.133 6.412 0.008 -0.9022 -0.8225 1.7095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18474 5633SOL HW218472 2.152 6.503 0.142 0.3247 0.9286 0.3764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18475 5634SOL OW18473 3.301 6.428 0.988 -0.0337 -0.0149 -0.0620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18476 5634SOL HW118474 3.338 6.382 1.069 1.1701 2.3780 0.8614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18477 5634SOL HW218475 3.367 6.425 0.914 -0.0823 -0.0194 -0.1056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18478 5635SOL OW18476 2.192 7.095 1.751 -0.0628 0.2135 0.3628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18479 5635SOL HW118477 2.155 7.073 1.661 -1.5554 0.6848 0.8344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18480 5635SOL HW218478 2.188 7.015 1.811 3.8016 -1.0852 -0.7960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18481 5636SOL OW18479 2.201 5.708 1.528 0.4483 -0.0030 -0.6127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18482 5636SOL HW118480 2.197 5.619 1.483 -1.8454 0.2777 -1.1207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18483 5636SOL HW218481 2.138 5.771 1.482 -1.5546 0.5074 2.5102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18484 5637SOL OW18482 3.225 7.076 0.140 -0.4171 0.1390 0.6886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18485 5637SOL HW118483 3.268 7.148 0.195 -0.5834 0.4804 0.3781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18486 5637SOL HW218484 3.145 7.041 0.188 -0.3247 0.1455 0.8496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18487 5638SOL OW18485 3.396 5.966 0.340 -0.0370 0.0725 -0.1693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18488 5638SOL HW118486 3.447 6.006 0.263 0.5890 0.5358 0.4647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18489 5638SOL HW218487 3.445 5.886 0.374 0.6135 0.8684 0.8250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18490 5639SOL OW18488 2.168 6.449 0.370 0.8175 -0.4887 0.4401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18491 5639SOL HW118489 2.144 6.355 0.396 2.1705 -1.2884 -1.0251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18492 5639SOL HW218490 2.247 6.447 0.308 -2.0326 1.1991 -3.6827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18493 5640SOL OW18491 3.466 5.559 1.646 -0.4461 -0.0411 -0.0082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18494 5640SOL HW118492 3.391 5.568 1.713 -0.0462 1.1287 0.3185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18495 5640SOL HW218493 3.506 5.468 1.652 0.8989 0.6254 2.8149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18496 5641SOL OW18494 2.493 5.522 7.218 0.3392 0.6609 0.4158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18497 5641SOL HW118495 2.584 5.495 7.251 -0.3441 1.4730 3.1750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18498 5641SOL HW218496 2.502 5.598 7.154 1.6918 -0.5353 -0.8992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18499 5642SOL OW18497 2.828 5.664 1.478 -0.0556 -0.0757 0.1057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18500 5642SOL HW118498 2.921 5.691 1.501 -0.8362 0.9999 2.3020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18501 5642SOL HW218499 2.767 5.743 1.485 -1.5243 -1.2440 1.2389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18502 5643SOL OW18500 2.785 7.085 1.147 0.4521 0.2505 -0.1630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18503 5643SOL HW118501 2.808 7.068 1.051 1.7577 -0.1670 0.1998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18504 5643SOL HW218502 2.783 6.998 1.196 0.7125 0.5440 0.3731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18505 5644SOL OW18503 3.088 5.991 1.367 0.3020 -0.3356 1.0331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18506 5644SOL HW118504 3.179 5.969 1.402 0.6228 2.4871 2.2645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18507 5644SOL HW218505 3.084 6.088 1.342 -1.9768 -0.7044 -0.3815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18508 5645SOL OW18506 2.568 6.821 0.734 -0.1543 0.0221 -0.1265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18509 5645SOL HW118507 2.642 6.759 0.708 0.4432 0.5265 0.3321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18510 5645SOL HW218508 2.484 6.796 0.685 0.5685 0.0434 -1.4044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18511 5646SOL OW18509 2.967 5.756 0.649 0.4733 0.6320 -0.4434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18512 5646SOL HW118510 2.941 5.786 0.558 2.4208 -0.0894 -1.3053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18513 5646SOL HW218511 2.954 5.657 0.656 0.5713 0.6460 -0.0322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18514 5647SOL OW18512 2.563 5.764 0.601 0.3232 0.1673 -0.2130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18515 5647SOL HW118513 2.472 5.757 0.642 0.4527 1.1569 0.2591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18516 5647SOL HW218514 2.575 5.855 0.561 1.3038 0.2427 0.2196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18517 5648SOL OW18515 3.041 6.966 0.293 0.5942 -0.2310 -0.3128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18518 5648SOL HW118516 2.988 6.883 0.309 0.2684 0.3260 1.8569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18519 5648SOL HW218517 3.058 7.012 0.380 0.0223 2.4475 -1.5070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18520 5649SOL OW18518 2.270 5.972 0.367 0.1123 0.6265 -0.2621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18521 5649SOL HW118519 2.206 5.961 0.291 1.2308 0.8995 -1.2811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18522 5649SOL HW218520 2.285 5.884 0.412 -0.4304 0.4305 -0.4610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18523 5650SOL OW18521 2.949 5.820 0.340 -0.3198 0.6520 0.1540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18524 5650SOL HW118522 2.929 5.793 0.246 0.2517 -0.5623 0.3550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18525 5650SOL HW218523 3.047 5.818 0.356 -0.3459 1.7177 0.5461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18526 5651SOL OW18524 2.792 6.457 1.470 0.3424 0.4315 -0.5093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18527 5651SOL HW118525 2.846 6.480 1.552 0.0364 -0.2518 -0.1055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18528 5651SOL HW218526 2.851 6.460 1.390 0.9013 0.0677 -0.1252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18529 5652SOL OW18527 2.915 6.912 0.856 -0.4279 0.3188 0.4312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18530 5652SOL HW118528 2.928 7.011 0.858 0.8726 0.1963 -0.7064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18531 5652SOL HW218529 2.914 6.880 0.762 1.3057 -0.9868 0.8153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18532 5653SOL OW18530 2.124 6.705 0.482 -0.4099 -0.5981 -0.5017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18533 5653SOL HW118531 2.084 6.779 0.427 -2.1818 -0.9941 0.1787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18534 5653SOL HW218532 2.134 6.624 0.425 0.8836 -0.0678 -1.0690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18535 5654SOL OW18533 2.655 5.947 0.126 0.1736 0.0318 0.0859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18536 5654SOL HW118534 2.701 6.025 0.085 1.8512 -0.0494 1.6492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18537 5654SOL HW218535 2.712 5.865 0.113 0.3757 -0.1376 1.7911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18538 5655SOL OW18536 2.005 6.136 1.271 0.1194 -0.2375 0.4498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18539 5655SOL HW118537 2.088 6.137 1.215 0.4012 -0.2108 0.8593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18540 5655SOL HW218538 2.002 6.219 1.327 -0.4242 -0.0151 0.0939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18541 5656SOL OW18539 2.275 5.646 1.109 -0.0102 -0.2918 -0.3793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18542 5656SOL HW118540 2.275 5.573 1.177 1.3942 -0.9844 -1.0837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18543 5656SOL HW218541 2.233 5.728 1.148 -1.3133 -1.3473 0.5414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18544 5657SOL OW18542 2.839 6.048 0.455 0.5618 0.0693 -0.0118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18545 5657SOL HW118543 2.743 6.031 0.436 0.3124 1.2303 0.1129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18546 5657SOL HW218544 2.894 5.971 0.424 -0.2596 0.0283 -1.4400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18547 5658SOL OW18545 3.228 5.493 0.495 -0.3032 -0.2103 0.2322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18548 5658SOL HW118546 3.141 5.444 0.493 -0.8374 0.6321 1.5574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18549 5658SOL HW218547 3.216 5.586 0.459 -0.3699 0.4706 1.8915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18550 5659SOL OW18548 3.155 6.623 1.099 -0.4628 0.2416 -0.6206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18551 5659SOL HW118549 3.144 6.706 1.045 0.6677 1.8571 1.4713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18552 5659SOL HW218550 3.199 6.553 1.044 -1.3117 1.0490 -2.3991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18553 5660SOL OW18551 3.177 6.008 0.921 0.4026 -0.3686 -0.0939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18554 5660SOL HW118552 3.151 5.913 0.940 0.4742 -0.0883 1.5419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18555 5660SOL HW218553 3.247 6.037 0.987 -0.4496 1.1773 0.1747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18556 5661SOL OW18554 3.564 6.302 0.311 -0.2601 0.5910 0.0992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18557 5661SOL HW118555 3.622 6.248 0.372 -2.1888 -0.5767 0.9918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18558 5661SOL HW218556 3.607 6.391 0.294 1.2117 0.2213 1.6433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18559 5662SOL OW18557 2.251 6.895 0.135 -0.4211 -0.2121 0.8006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18560 5662SOL HW118558 2.214 6.840 0.060 -0.8232 1.2147 -0.0994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18561 5662SOL HW218559 2.187 6.896 0.211 -1.6496 1.0582 -0.1802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18562 5663SOL OW18560 3.604 6.803 0.688 0.6976 -0.0991 -0.5967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18563 5663SOL HW118561 3.648 6.880 0.642 0.2117 -0.4518 -1.6648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18564 5663SOL HW218562 3.509 6.825 0.708 0.9776 0.1625 0.5339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18565 5664SOL OW18563 3.306 6.050 0.022 -0.6106 -0.4324 -0.0814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18566 5664SOL HW118564 3.394 6.062 0.066 -0.6103 0.0441 -0.2059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18567 5664SOL HW218565 3.298 5.955 -0.011 -0.9814 -1.0677 1.7210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18568 5665SOL OW18566 2.107 5.934 0.149 0.2904 0.0505 0.1087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18569 5665SOL HW118567 2.133 5.849 0.101 -0.2973 -0.5314 0.8048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18570 5665SOL HW218568 2.080 6.003 0.082 2.1016 0.1672 -0.5589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18571 5666SOL OW18569 3.510 6.728 1.599 -0.3554 -0.1176 0.4676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18572 5666SOL HW118570 3.595 6.676 1.594 0.2961 1.0293 -1.4947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18573 5666SOL HW218571 3.523 6.807 1.658 -0.3643 -0.4599 0.9311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18574 5667SOL OW18572 2.820 6.841 1.642 0.3130 0.9171 0.3570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18575 5667SOL HW118573 2.725 6.866 1.622 -0.1848 -0.2695 1.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18576 5667SOL HW218574 2.844 6.873 1.734 -0.0278 -0.5447 0.9907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18577 5668SOL OW18575 3.432 6.937 1.725 0.4484 0.3848 -0.1676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18578 5668SOL HW118576 3.462 7.032 1.721 0.2077 0.4781 0.1937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18579 5668SOL HW218577 3.347 6.926 1.674 0.5936 0.3120 -0.3999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18580 5669SOL OW18578 2.744 6.831 1.294 0.0557 0.0670 -0.1605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18581 5669SOL HW118579 2.650 6.807 1.319 0.6967 -1.5338 0.8133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18582 5669SOL HW218580 2.766 6.791 1.205 -0.8400 2.2748 -1.4811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18583 5670SOL OW18581 3.420 6.780 1.131 -0.2244 -0.7955 0.3335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18584 5670SOL HW118582 3.436 6.823 1.220 -2.4832 -2.0626 1.4385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18585 5670SOL HW218583 3.343 6.717 1.138 -1.2899 -0.0102 -2.8614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18586 5671SOL OW18584 2.829 5.489 1.282 -0.1596 0.5472 0.4133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18587 5671SOL HW118585 2.924 5.495 1.250 -0.9479 1.7220 -1.9323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18588 5671SOL HW218586 2.809 5.565 1.343 0.3001 0.5224 0.5974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18589 5672SOL OW18587 2.497 6.551 1.840 -0.0345 0.1229 0.2610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18590 5672SOL HW118588 2.403 6.517 1.834 -0.9679 2.2110 1.7985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18591 5672SOL HW218589 2.534 6.564 1.748 -0.1142 -3.4537 -0.4077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18592 5673SOL OW18590 2.673 6.548 0.251 -0.1763 0.1553 0.0293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18593 5673SOL HW118591 2.708 6.483 0.319 -0.3314 0.0277 -0.0120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18594 5673SOL HW218592 2.714 6.527 0.162 -1.2715 -0.7818 -0.2893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18595 5674SOL OW18593 2.185 6.202 1.520 0.2441 -0.3558 -0.2206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18596 5674SOL HW118594 2.255 6.272 1.526 -1.2078 1.1020 0.4229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18597 5674SOL HW218595 2.210 6.136 1.449 1.8398 0.5720 -0.5677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18598 5675SOL OW18596 3.024 5.768 1.190 0.4578 0.1890 -0.2783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18599 5675SOL HW118597 3.015 5.839 1.259 -1.0944 0.7979 -1.0698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18600 5675SOL HW218598 2.934 5.736 1.161 1.0946 -1.2918 -0.7882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18601 5676SOL OW18599 1.866 7.184 1.275 0.1007 0.0395 -0.2008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18602 5676SOL HW118600 1.920 7.211 1.355 -0.7786 0.3164 0.3156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18603 5676SOL HW218601 1.782 7.239 1.271 -1.3259 -1.9977 0.3969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18604 5677SOL OW18602 2.021 6.868 0.285 -0.5081 -0.3306 0.1382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18605 5677SOL HW118603 1.989 6.948 0.335 0.7998 -0.3445 1.0661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18606 5677SOL HW218604 1.943 6.813 0.255 -1.3696 0.4945 0.8230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18607 5678SOL OW18605 2.226 6.153 0.767 -0.8449 0.5311 -0.3607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18608 5678SOL HW118606 2.320 6.152 0.731 -0.8088 -0.2209 -0.2531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18609 5678SOL HW218607 2.186 6.062 0.758 -1.0718 0.4947 0.8953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18610 5679SOL OW18608 3.206 6.892 0.531 -0.3045 0.5539 -0.7154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18611 5679SOL HW118609 3.234 6.982 0.567 0.2954 0.8309 -1.8441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18612 5679SOL HW218610 3.107 6.883 0.538 -0.2902 0.9710 0.1539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18613 5680SOL OW18611 3.051 6.932 1.256 0.3683 -0.0654 -0.6738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18614 5680SOL HW118612 3.016 6.998 1.324 0.4703 0.1543 -0.8317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18615 5680SOL HW218613 3.017 6.841 1.278 0.8523 -0.0942 0.0059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18616 5681SOL OW18614 3.380 6.315 0.502 0.1543 -0.2166 0.3605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18617 5681SOL HW118615 3.286 6.284 0.494 0.1840 -0.0551 -0.7628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18618 5681SOL HW218616 3.425 6.310 0.412 1.3110 -0.6128 0.9400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18619 5682SOL OW18617 2.261 7.069 1.299 0.4810 0.3994 -0.0563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18620 5682SOL HW118618 2.249 7.029 1.208 1.4254 1.8758 -0.8765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18621 5682SOL HW218619 2.357 7.094 1.311 0.4337 -0.1016 1.5050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18622 5683SOL OW18620 2.245 6.430 1.779 0.4783 -0.1804 -0.2935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18623 5683SOL HW118621 2.317 6.393 1.721 0.6715 -1.3693 0.6633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18624 5683SOL HW218622 2.164 6.372 1.774 -0.3211 0.9548 -1.0873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18625 5684SOL OW18623 3.389 6.156 1.738 -0.4839 0.2431 0.2989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18626 5684SOL HW118624 3.302 6.192 1.772 -0.4033 -0.5840 1.4115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18627 5684SOL HW218625 3.454 6.232 1.729 -1.3019 0.8739 -0.5683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18628 5685SOL OW18626 2.998 5.644 1.856 -0.2943 0.4552 0.7481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18629 5685SOL HW118627 3.007 5.669 1.759 -0.2619 -0.2638 0.5622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18630 5685SOL HW218628 3.089 5.640 1.898 -0.4178 3.7548 1.6094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18631 5686SOL OW18629 2.382 5.828 1.683 0.1014 -0.8570 -0.0412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18632 5686SOL HW118630 2.317 5.772 1.633 0.5427 0.4499 -2.1789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18633 5686SOL HW218631 2.338 5.867 1.764 -2.1060 0.6643 -1.8504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18634 5687SOL OW18632 2.476 6.447 1.049 -0.2869 0.0710 0.3144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18635 5687SOL HW118633 2.483 6.546 1.035 -0.1443 -0.0128 -0.2119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18636 5687SOL HW218634 2.567 6.407 1.055 -0.3443 0.0133 0.8477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18637 5688SOL OW18635 2.923 6.239 0.862 0.3025 -0.1928 -0.8952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18638 5688SOL HW118636 3.014 6.276 0.843 0.4101 0.2111 0.2856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18639 5688SOL HW218637 2.924 6.140 0.854 0.9582 -0.2234 -0.5113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18640 5689SOL OW18638 3.214 6.127 0.388 0.5092 -0.5369 -0.0868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18641 5689SOL HW118639 3.286 6.058 0.391 -0.9720 -2.1973 -1.1818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18642 5689SOL HW218640 3.153 6.115 0.467 -0.5998 -1.4922 -1.0544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18643 5690SOL OW18641 2.162 5.860 1.254 0.3233 0.3597 -0.5474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18644 5690SOL HW118642 2.254 5.897 1.269 0.8649 -1.3434 0.5808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18645 5690SOL HW218643 2.099 5.899 1.322 0.6456 0.0501 -0.0670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18646 5691SOL OW18644 1.840 6.899 1.268 -0.0227 0.9375 0.3432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18647 5691SOL HW118645 1.898 6.848 1.331 -0.9967 -0.4331 0.1701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18648 5691SOL HW218646 1.853 6.997 1.283 -0.4747 0.6694 2.9226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18649 5692SOL OW18647 2.441 6.163 0.985 0.3160 0.2454 0.6603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18650 5692SOL HW118648 2.413 6.136 0.892 2.1224 -0.9225 0.3913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18651 5692SOL HW218649 2.449 6.262 0.990 -1.0653 0.4149 -0.0421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18652 5693SOL OW18650 3.752 6.214 1.833 0.0315 0.8524 -0.2770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18653 5693SOL HW118651 3.664 6.261 1.829 0.8534 2.7547 1.8345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18654 5693SOL HW218652 3.803 6.245 1.913 1.3905 -2.4868 0.2933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18655 5694SOL OW18653 2.308 5.715 0.704 0.2066 -0.2677 0.5541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18656 5694SOL HW118654 2.229 5.776 0.695 0.2213 -0.4318 -0.9174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18657 5694SOL HW218655 2.290 5.648 0.775 -1.3319 -0.7967 -0.2868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18658 5695SOL OW18656 3.556 6.054 0.127 -0.3132 -0.7097 -0.0262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18659 5695SOL HW118657 3.644 6.023 0.091 0.2470 -0.9332 1.4768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18660 5695SOL HW218658 3.568 6.139 0.177 -0.5117 -1.8560 2.0669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18661 5696SOL OW18659 2.940 5.979 0.811 -0.0018 0.6906 0.2817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18662 5696SOL HW118660 3.030 5.978 0.854 0.7699 -2.2453 -1.2042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18663 5696SOL HW218661 2.927 5.896 0.757 -3.3892 1.3002 -0.0632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18664 5697SOL OW18662 2.608 6.983 1.799 0.4993 -0.0784 0.4338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18665 5697SOL HW118663 2.543 7.023 1.735 1.0045 -1.3400 -0.9169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18666 5697SOL HW218664 2.560 6.929 1.868 0.1380 -2.7262 -1.7649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18667 5698SOL OW18665 3.909 7.048 1.473 0.0892 0.7225 -0.3303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18668 5698SOL HW118666 3.972 7.049 1.396 1.3686 2.0624 0.6725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18669 5698SOL HW218667 3.945 6.990 1.546 -0.9936 -0.3528 -0.6222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18670 5699SOL OW18668 2.072 6.651 1.856 0.0778 0.1261 0.0258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18671 5699SOL HW118669 2.087 6.686 1.948 -1.2708 -1.0718 0.7461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18672 5699SOL HW218670 2.139 6.579 1.837 0.5304 0.5620 -0.0368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18673 5700SOL OW18671 3.366 5.801 7.188 -0.0258 -0.0407 -0.3969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18674 5700SOL HW118672 3.462 5.773 7.192 -0.0096 -0.3966 -2.3872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18675 5700SOL HW218673 3.308 5.727 7.222 0.3006 -0.5833 -1.0121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18676 5701SOL OW18674 3.215 6.690 7.208 0.1897 0.1527 0.2083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18677 5701SOL HW118675 3.191 6.628 7.134 -0.0723 1.2431 -0.6441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18678 5701SOL HW218676 3.305 6.666 7.244 -0.2746 -1.2495 0.4969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18679 5702SOL OW18677 2.793 6.734 1.036 0.4022 0.4402 -0.5156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18680 5702SOL HW118678 2.696 6.736 1.013 0.4769 -0.6157 -0.9394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18681 5702SOL HW218679 2.845 6.778 0.963 0.3514 -0.0888 -0.8731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18682 5703SOL OW18680 2.237 6.341 1.175 0.3445 -0.0049 0.4870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18683 5703SOL HW118681 2.315 6.386 1.132 1.0973 -2.5557 -0.9518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18684 5703SOL HW218682 2.195 6.277 1.112 -1.3310 -0.6043 2.1049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18685 5704SOL OW18683 2.125 6.139 1.016 0.0940 -0.0170 0.0742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18686 5704SOL HW118684 2.070 6.055 1.014 1.1330 -0.7259 0.3082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18687 5704SOL HW218685 2.191 6.136 0.941 1.7695 -0.5755 1.4979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18688 5705SOL OW18686 3.046 5.818 1.618 0.0880 0.0841 -0.1513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18689 5705SOL HW118687 3.029 5.893 1.682 -1.4352 -0.7400 0.4662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18690 5705SOL HW218688 3.116 5.845 1.552 -1.0262 2.3617 -0.4758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18691 5706SOL OW18689 3.143 5.592 1.367 0.1372 0.4011 0.0877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18692 5706SOL HW118690 3.233 5.635 1.373 0.2333 0.5263 -1.7220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18693 5706SOL HW218691 3.098 5.622 1.283 -0.4757 -1.7895 -0.4100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18694 5707SOL OW18692 1.645 6.878 0.102 0.4888 0.4066 -0.6441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18695 5707SOL HW118693 1.659 6.823 0.019 2.2325 -1.1874 0.6189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18696 5707SOL HW218694 1.602 6.822 0.172 1.4583 0.9039 0.3752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18697 5708SOL OW18695 2.269 6.819 0.811 0.8215 -0.0396 -0.1991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18698 5708SOL HW118696 2.240 6.890 0.747 0.9932 0.4538 0.2680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18699 5708SOL HW218697 2.277 6.732 0.762 -0.3466 0.0419 -0.5706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18700 5709SOL OW18698 2.729 6.342 1.049 -0.2739 0.1974 0.1419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18701 5709SOL HW118699 2.786 6.325 0.969 -1.2243 1.2138 -0.7792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18702 5709SOL HW218700 2.730 6.261 1.108 1.0150 -0.2996 -0.5169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18703 5710SOL OW18701 1.795 6.240 1.139 0.5337 0.2658 -0.4137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18704 5710SOL HW118702 1.873 6.187 1.171 -0.6631 -0.4239 1.5461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18705 5710SOL HW218703 1.766 6.303 1.211 -1.6445 -0.5894 -0.4744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18706 5711SOL OW18704 2.029 6.275 1.734 -0.1075 0.0558 0.6365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18707 5711SOL HW118705 1.983 6.348 1.683 2.6595 2.2154 0.9906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18708 5711SOL HW218706 2.076 6.214 1.669 0.3191 0.5974 0.4230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18709 5712SOL OW18707 3.128 6.365 1.556 0.0023 -0.3430 -0.3453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18710 5712SOL HW118708 3.189 6.441 1.532 0.5481 -0.9127 -0.7844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18711 5712SOL HW218709 3.100 6.317 1.473 -0.0591 -0.8352 -0.0431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18712 5713SOL OW18710 2.598 5.966 0.411 0.4772 0.1339 0.1801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18713 5713SOL HW118711 2.611 5.942 0.315 -0.1013 0.4730 0.0125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18714 5713SOL HW218712 2.506 6.004 0.424 0.0792 -1.0769 1.0995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18715 5714SOL OW18713 3.377 5.997 1.104 -0.8818 -0.2330 0.1851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18716 5714SOL HW118714 3.382 5.900 1.125 1.0819 -0.2754 -0.3071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18717 5714SOL HW218715 3.451 6.022 1.042 -0.9183 1.7134 0.8433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18718 5715SOL OW18716 1.837 7.084 1.780 -0.8509 0.6294 -0.1543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18719 5715SOL HW118717 1.781 7.048 1.855 -0.7137 -1.9481 -1.1872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18720 5715SOL HW218718 1.933 7.086 1.808 -0.8752 0.2691 -0.0370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18721 5716SOL OW18719 2.670 5.972 0.993 -0.1125 0.0105 -0.0904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18722 5716SOL HW118720 2.731 6.009 0.924 0.2773 -1.8735 -0.8381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18723 5716SOL HW218721 2.585 6.024 0.995 0.1322 0.4951 -1.5328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18724 5717SOL OW18722 2.031 6.151 7.244 -0.2649 0.0394 0.3048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18725 5717SOL HW118723 2.125 6.184 7.236 -0.5489 0.7541 -0.1124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18726 5717SOL HW218724 1.968 6.228 7.241 -0.8585 -0.4135 0.8651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18727 5718SOL OW18725 1.979 6.726 1.401 0.1399 0.1826 -0.0961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18728 5718SOL HW118726 1.940 6.689 1.485 -0.2022 3.0849 1.1436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18729 5718SOL HW218727 2.041 6.659 1.360 -1.7412 -2.3468 0.9462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18730 5719SOL OW18728 2.922 6.480 1.214 -0.4511 0.8152 0.5281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18731 5719SOL HW118729 2.850 6.468 1.146 1.9005 -0.9543 -1.9010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18732 5719SOL HW218730 2.994 6.538 1.176 0.2177 1.0991 2.1626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18733 5720SOL OW18731 3.284 6.324 0.161 0.7057 0.0014 -0.6116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18734 5720SOL HW118732 3.279 6.245 0.223 2.7852 0.1054 -0.2457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18735 5720SOL HW218733 3.279 6.292 0.067 -1.4689 -0.2495 -0.4561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18736 5721SOL OW18734 3.635 7.097 1.157 -0.4135 0.3372 0.6452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18737 5721SOL HW118735 3.580 7.081 1.075 3.5689 -0.3039 -2.2024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18738 5721SOL HW218736 3.651 7.011 1.204 1.0707 -0.1662 -0.6886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18739 5722SOL OW18737 3.171 7.224 1.136 0.4223 -0.5606 0.2600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18740 5722SOL HW118738 3.216 7.219 1.047 2.1410 0.0151 1.0501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18741 5722SOL HW218739 3.161 7.132 1.173 1.0039 -0.7108 0.0660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18742 5723SOL OW18740 1.897 6.910 1.003 -0.0780 0.9037 0.3627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18743 5723SOL HW118741 1.861 6.937 1.092 0.6430 2.5483 0.1919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18744 5723SOL HW218742 1.889 6.811 0.992 0.0429 0.6355 2.3465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18745 5724SOL OW18743 2.750 5.476 7.256 0.3447 -0.0890 0.2366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18746 5724SOL HW118744 2.829 5.483 7.196 -0.7994 -0.9491 -1.4269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18747 5724SOL HW218745 2.704 5.388 7.242 -2.0089 1.1354 -0.2989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18748 5725SOL OW18746 3.510 5.717 0.350 0.1801 0.4776 0.1521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18749 5725SOL HW118747 3.589 5.704 0.291 0.1522 -1.0698 0.4046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18750 5725SOL HW218748 3.488 5.631 0.395 -1.8009 0.8029 -0.0974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18751 5726SOL OW18749 3.192 7.145 0.599 0.0582 -0.2039 -0.1218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18752 5726SOL HW118750 3.242 7.207 0.539 -0.7979 -0.1093 -0.7556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18753 5726SOL HW218751 3.095 7.171 0.601 -0.1647 -1.0212 0.2509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18754 5727SOL OW18752 1.987 7.010 2.036 -0.0409 -0.0790 -0.2813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18755 5727SOL HW118753 1.894 6.978 2.017 0.6316 -0.9867 -2.3621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18756 5727SOL HW218754 1.995 7.107 2.012 -0.8845 0.5126 1.6574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18757 5728SOL OW18755 3.133 6.388 0.742 0.0322 0.4543 0.4886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18758 5728SOL HW118756 3.193 6.400 0.820 -0.2756 0.9443 0.6597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18759 5728SOL HW218757 3.146 6.465 0.678 -0.0108 0.2721 0.2585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18760 5729SOL OW18758 2.484 6.822 1.428 0.2222 0.0488 0.1443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18761 5729SOL HW118759 2.458 6.894 1.493 -1.4410 -0.7753 0.4251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18762 5729SOL HW218760 2.411 6.810 1.361 -0.4746 -2.7130 1.2755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18763 5730SOL OW18761 2.390 7.111 0.196 -0.0126 0.3270 0.1100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18764 5730SOL HW118762 2.312 7.170 0.172 1.3403 1.0791 -2.8291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18765 5730SOL HW218763 2.369 7.017 0.169 0.2404 0.6084 -1.1154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18766 5731SOL OW18764 3.614 5.693 0.890 0.3858 -0.0109 -0.8288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18767 5731SOL HW118765 3.676 5.619 0.864 0.1612 -2.0942 3.6259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18768 5731SOL HW218766 3.521 5.669 0.861 0.1337 -2.2232 1.4193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18769 5732SOL OW18767 2.097 5.911 0.755 0.3546 -0.2448 0.1103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18770 5732SOL HW118768 2.018 5.929 0.697 -1.1095 -0.7769 1.8393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18771 5732SOL HW218769 2.066 5.883 0.846 2.5406 -0.8719 0.7330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18772 5733SOL OW18770 2.937 7.106 0.040 -0.2632 0.0891 0.5224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18773 5733SOL HW118771 2.839 7.110 0.056 -0.0069 1.3231 2.1113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18774 5733SOL HW218772 2.973 7.018 0.071 -0.4466 0.8240 3.0901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18775 5734SOL OW18773 2.544 6.546 1.502 0.2106 -0.0736 -0.2321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18776 5734SOL HW118774 2.632 6.508 1.474 1.0008 1.4154 0.0878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18777 5734SOL HW218775 2.528 6.632 1.452 0.3460 1.1882 1.7752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18778 5735SOL OW18776 2.795 6.395 0.047 0.4070 -0.3358 -0.2358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18779 5735SOL HW118777 2.861 6.392 -0.027 -0.0122 1.4201 -0.7278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18780 5735SOL HW218778 2.830 6.345 0.126 1.6675 -0.6686 -0.9906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18781 5736SOL OW18779 2.135 6.994 1.504 0.2397 -0.0393 0.5460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18782 5736SOL HW118780 2.191 7.023 1.426 -0.5754 1.8530 0.6101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18783 5736SOL HW218781 2.080 6.915 1.478 1.0656 -0.3543 -0.3073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18784 5737SOL OW18782 3.429 6.891 1.370 -0.0546 0.0224 0.4072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18785 5737SOL HW118783 3.412 6.826 1.444 0.8566 -0.5820 0.1093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18786 5737SOL HW218784 3.359 6.962 1.371 -2.1426 -1.9070 -0.3394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18787 5738SOL OW18785 2.783 6.680 0.558 -0.0929 0.1465 0.3825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18788 5738SOL HW118786 2.828 6.679 0.469 -1.5898 1.4932 -0.4374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18789 5738SOL HW218787 2.700 6.624 0.553 -0.8824 1.2880 0.5277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18790 5739SOL OW18788 2.900 5.497 0.667 0.2339 0.3664 0.0655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18791 5739SOL HW118789 2.910 5.456 0.577 -0.8632 0.8091 -0.2781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18792 5739SOL HW218790 2.944 5.439 0.736 1.0970 0.0385 -0.7425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18793 5740SOL OW18791 2.136 7.034 0.677 -0.2177 0.2582 0.2377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18794 5740SOL HW118792 2.146 7.120 0.625 1.4421 2.0241 3.2001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18795 5740SOL HW218793 2.050 7.035 0.727 0.1286 0.5829 0.8430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18796 5741SOL OW18794 3.599 5.813 1.299 -0.0718 -0.5490 -0.0900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18797 5741SOL HW118795 3.625 5.908 1.282 -0.7499 -0.0471 1.4446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18798 5741SOL HW218796 3.619 5.757 1.219 -0.1966 0.9903 -1.2270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18799 5742SOL OW18797 1.955 7.101 0.410 -0.1340 -0.0332 0.0739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18800 5742SOL HW118798 2.031 7.149 0.453 0.0636 -0.8026 0.5802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18801 5742SOL HW218799 1.869 7.139 0.444 0.0126 -1.0204 1.6077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18802 5743SOL OW18800 1.951 6.532 1.636 -0.1922 0.2811 0.1937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18803 5743SOL HW118801 1.860 6.535 1.677 0.3661 -0.2978 1.5207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18804 5743SOL HW218802 2.019 6.567 1.701 0.6094 0.1666 -0.5567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18805 5744SOL OW18803 2.574 5.547 1.169 0.1528 -0.5666 -0.0152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18806 5744SOL HW118804 2.668 5.545 1.136 0.5554 2.8936 0.5779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18807 5744SOL HW218805 2.519 5.608 1.112 -1.0364 -0.4114 1.2207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18808 5745SOL OW18806 1.699 6.000 7.252 0.0442 0.2711 0.4790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18809 5745SOL HW118807 1.701 6.000 7.152 -0.7933 -0.3659 0.4511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18810 5745SOL HW218808 1.716 6.093 7.286 -0.7447 0.7046 -0.2859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18811 5746SOL OW18809 3.072 6.257 1.297 0.0045 -0.6552 -0.0634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18812 5746SOL HW118810 3.011 6.329 1.264 -1.2515 -2.2855 -1.5103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18813 5746SOL HW218811 3.157 6.258 1.245 -0.2477 -0.5880 -0.4759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18814 5747SOL OW18812 1.997 5.768 0.357 -0.2224 0.6280 0.7619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18815 5747SOL HW118813 2.030 5.816 0.275 -0.3321 -0.3434 0.1297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18816 5747SOL HW218814 2.074 5.725 0.404 -0.2098 0.8638 0.9594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18817 5748SOL OW18815 3.088 6.511 0.273 -0.1809 -0.3604 -0.3486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18818 5748SOL HW118816 3.141 6.439 0.228 0.4722 -0.6688 0.8764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18819 5748SOL HW218817 3.149 6.566 0.331 -0.9348 0.2625 -0.1233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18820 5749SOL OW18818 2.422 6.331 1.600 -0.0918 0.4364 -0.4981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18821 5749SOL HW118819 2.487 6.406 1.596 1.3525 -0.4112 2.9798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18822 5749SOL HW218820 2.472 6.245 1.613 -1.8008 -0.3772 1.2062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18823 5750SOL OW18821 2.943 7.179 0.829 0.4999 0.5027 0.0146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18824 5750SOL HW118822 3.039 7.197 0.851 0.6713 0.1259 -0.4052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18825 5750SOL HW218823 2.911 7.246 0.762 0.1373 1.3146 0.9826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18826 5751SOL OW18824 2.828 5.998 1.453 -0.3385 -0.0555 -0.4452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18827 5751SOL HW118825 2.810 6.076 1.513 0.2058 0.0507 -0.4144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18828 5751SOL HW218826 2.926 5.981 1.450 -0.3655 -0.0921 -1.2716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18829 5752SOL OW18827 3.306 6.583 1.672 -0.1322 -0.5099 -0.3684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18830 5752SOL HW118828 3.296 6.576 1.771 -2.0991 0.9073 -0.3976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18831 5752SOL HW218829 3.378 6.649 1.650 0.6731 -1.2267 0.0975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18832 5753SOL OW18830 3.368 6.264 1.205 -0.1892 0.1017 0.1884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18833 5753SOL HW118831 3.383 6.170 1.175 -0.1204 -0.2356 1.2530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18834 5753SOL HW218832 3.431 6.286 1.279 1.1072 1.6181 -1.2923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18835 5754SOL OW18833 3.207 5.785 0.440 -0.0647 0.1738 -0.3122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18836 5754SOL HW118834 3.291 5.799 0.388 0.7767 -0.5940 0.7916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18837 5754SOL HW218835 3.210 5.839 0.524 0.0273 -1.0123 0.4765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18838 5755SOL OW18836 2.469 6.195 0.695 0.1908 -0.6862 -0.5579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18839 5755SOL HW118837 2.569 6.203 0.694 0.2420 -1.2767 -0.4143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18840 5755SOL HW218838 2.435 6.186 0.601 0.3711 -1.5988 -0.5453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18841 5756SOL OW18839 3.612 5.808 1.587 0.2123 0.4649 0.4590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18842 5756SOL HW118840 3.642 5.824 1.493 -1.4549 -0.9859 -0.3784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18843 5756SOL HW218841 3.587 5.712 1.598 -0.8693 0.8828 2.0156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18844 5757SOL OW18842 3.536 6.374 1.710 0.5806 0.2405 0.0856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18845 5757SOL HW118843 3.620 6.428 1.702 0.0972 1.0504 0.3762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18846 5757SOL HW218844 3.457 6.435 1.704 0.0068 -0.5296 -0.2779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18847 5758SOL OW18845 2.665 7.057 0.115 -0.3024 -0.5289 0.0431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18848 5758SOL HW118846 2.656 6.958 0.113 -1.2592 -0.4412 -0.9759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18849 5758SOL HW218847 2.581 7.097 0.151 -1.1481 0.0052 -2.3247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18850 5759SOL OW18848 2.741 6.265 0.644 0.2919 0.6223 0.0144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18851 5759SOL HW118849 2.769 6.199 0.573 0.5878 0.9910 -0.2162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18852 5759SOL HW218850 2.823 6.306 0.685 0.1784 -0.4933 1.4560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18853 5760SOL OW18851 2.993 6.323 7.098 0.0672 0.2751 0.3801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18854 5760SOL HW118852 2.914 6.284 7.051 1.8031 -2.7025 -0.2652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18855 5760SOL HW218853 3.038 6.390 7.038 0.0142 -0.5895 -0.6403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18856 5761SOL OW18854 3.255 7.152 0.871 -0.7459 -0.7567 0.5351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18857 5761SOL HW118855 3.254 7.133 0.773 1.0649 0.9498 0.1372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18858 5761SOL HW218856 3.334 7.108 0.913 -0.1746 0.4801 0.7777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18859 5762SOL OW18857 2.185 6.814 2.071 0.0535 0.0870 0.9218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18860 5762SOL HW118858 2.121 6.890 2.056 0.0123 -0.2468 -0.8970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18861 5762SOL HW218859 2.156 6.761 2.150 -0.1126 1.7521 2.0361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18862 5763SOL OW18860 1.916 6.616 0.610 -0.0810 -0.6915 0.2977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18863 5763SOL HW118861 1.986 6.672 0.566 -0.5170 -0.9693 -0.7904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18864 5763SOL HW218862 1.958 6.533 0.647 0.4477 -0.0084 1.2883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18865 5764SOL OW18863 2.437 7.062 1.606 -0.0233 0.6089 0.1288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18866 5764SOL HW118864 2.339 7.058 1.629 -0.2377 0.0259 -0.8259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18867 5764SOL HW218865 2.452 7.135 1.539 0.1681 0.5738 0.1340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18868 5765SOL OW18866 3.758 5.541 1.158 -0.4242 -0.0330 1.0216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18869 5765SOL HW118867 3.832 5.608 1.165 1.1341 -1.7770 2.2987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18870 5765SOL HW218868 3.751 5.508 1.064 1.8207 -1.2675 1.2193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18871 5766SOL OW18869 2.059 6.231 0.469 0.4759 0.1184 0.0145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18872 5766SOL HW118870 2.031 6.135 0.465 1.8294 -0.2990 -0.2881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18873 5766SOL HW218871 2.091 6.253 0.561 1.3420 -0.1042 -0.2182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18874 5767SOL OW18872 3.451 7.001 0.976 -0.0885 -0.2006 -0.1161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18875 5767SOL HW118873 3.444 6.964 0.884 1.6403 -1.2907 0.1341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18876 5767SOL HW218874 3.438 6.928 1.043 1.1202 0.0421 0.4275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18877 5768SOL OW18875 2.362 6.044 1.334 0.4658 0.6277 -0.4428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18878 5768SOL HW118876 2.402 6.039 1.426 -0.4823 0.9738 0.0124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18879 5768SOL HW218877 2.431 6.072 1.269 1.0879 0.6776 0.2231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18880 5769SOL OW18878 2.609 7.081 0.673 0.1637 -0.4832 -0.0726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18881 5769SOL HW118879 2.665 7.082 0.590 0.3262 -0.7464 0.0302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18882 5769SOL HW218880 2.605 6.988 0.709 -1.7730 -0.8042 -1.0326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18883 5770SOL OW18881 3.318 5.731 1.133 -0.2806 0.0760 -0.5247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18884 5770SOL HW118882 3.360 5.677 1.206 -0.4996 -0.7708 -1.0139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18885 5770SOL HW218883 3.222 5.750 1.157 -0.7632 -1.4028 -1.2131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18886 5771SOL OW18884 3.072 5.456 1.120 -0.1774 -0.1014 0.2673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18887 5771SOL HW118885 2.995 5.460 1.056 0.3780 1.3103 -0.3611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18888 5771SOL HW218886 3.155 5.429 1.072 0.0890 0.1886 0.5562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18889 5772SOL OW18887 2.598 6.824 0.338 0.1569 0.1323 0.0963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18890 5772SOL HW118888 2.648 6.755 0.285 0.9426 0.8558 -0.1325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18891 5772SOL HW218889 2.518 6.782 0.380 0.6396 -0.9288 -0.0055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18892 5773SOL OW18890 2.533 7.147 1.314 0.4256 -0.1270 -0.2529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18893 5773SOL HW118891 2.588 7.203 1.375 -0.4860 1.9668 -1.2565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18894 5773SOL HW218892 2.593 7.099 1.250 1.1566 1.6317 -0.9343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18895 5774SOL OW18893 3.239 5.611 0.051 -0.1068 -0.2082 0.1205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18896 5774SOL HW118894 3.234 5.536 -0.016 -1.5652 0.7817 -0.9326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18897 5774SOL HW218895 3.179 5.590 0.129 1.8823 -1.5401 1.4016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18898 5775SOL OW18896 3.243 5.936 0.663 -0.0216 0.4067 -0.6850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18899 5775SOL HW118897 3.177 6.006 0.636 0.2607 1.6059 1.5637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18900 5775SOL HW218898 3.259 5.940 0.761 2.6388 -0.5240 -0.9953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18901 5776SOL OW18899 3.340 5.633 0.862 0.8250 0.0391 0.3154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18902 5776SOL HW118900 3.365 5.639 0.958 0.8470 -0.8955 0.3745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18903 5776SOL HW218901 3.262 5.695 0.844 0.2696 -0.4076 1.1193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18904 5777SOL OW18902 1.711 6.482 0.232 -0.0657 -0.0733 -0.2213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18905 5777SOL HW118903 1.788 6.534 0.196 0.7129 -1.1069 -0.0629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18906 5777SOL HW218904 1.738 6.434 0.315 -0.4348 -1.6192 -0.9658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18907 5778SOL OW18905 2.121 6.146 2.091 -0.9054 -0.2319 -0.1908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18908 5778SOL HW118906 2.055 6.206 2.136 -1.1664 -1.1447 0.6582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18909 5778SOL HW218907 2.078 6.101 2.012 -1.1747 -0.5012 0.1081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18910 5779SOL OW18908 2.130 6.014 2.880 0.4867 0.1442 -0.5735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18911 5779SOL HW118909 2.183 5.930 2.884 -0.5255 -0.6323 -2.2527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18912 5779SOL HW218910 2.033 5.992 2.868 0.1317 1.5483 -0.5000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18913 5780SOL OW18911 1.839 5.970 2.288 0.3814 -0.1780 0.5435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18914 5780SOL HW118912 1.773 5.963 2.362 0.4664 0.1639 0.6513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18915 5780SOL HW218913 1.830 5.890 2.228 0.8200 -0.8230 1.3341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18916 5781SOL OW18914 2.370 6.971 2.925 -0.6112 0.0245 -0.5008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18917 5781SOL HW118915 2.317 6.893 2.893 -1.1669 0.7463 -1.3972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18918 5781SOL HW218916 2.333 7.003 3.012 -1.1601 0.0397 -0.7336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18919 5782SOL OW18917 3.634 6.956 2.651 0.3779 0.1365 -0.4060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18920 5782SOL HW118918 3.659 6.988 2.743 1.8165 0.1659 -0.7974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18921 5782SOL HW218919 3.564 7.017 2.613 -0.5460 -0.1102 0.8097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18922 5783SOL OW18920 2.874 6.279 2.457 -0.6252 -0.3208 -0.0703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18923 5783SOL HW118921 2.912 6.360 2.501 -0.7887 -0.7535 0.8921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18924 5783SOL HW218922 2.774 6.278 2.469 -0.9739 0.6901 -2.3731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18925 5784SOL OW18923 3.598 5.810 2.041 -0.6878 -0.3225 0.1346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18926 5784SOL HW118924 3.580 5.852 1.952 1.3051 1.3515 0.4541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18927 5784SOL HW218925 3.537 5.852 2.109 0.3118 1.1156 0.1913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18928 5785SOL OW18926 2.618 6.880 2.896 -0.0327 -0.0180 -0.0505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18929 5785SOL HW118927 2.530 6.919 2.921 -2.2539 -3.3441 -1.8530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18930 5785SOL HW218928 2.655 6.928 2.817 -0.6181 0.8849 0.2100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18931 5786SOL OW18929 2.761 6.349 3.743 0.0974 0.3360 0.4176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18932 5786SOL HW118930 2.747 6.412 3.819 -1.4904 1.3296 -0.6254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18933 5786SOL HW218931 2.790 6.401 3.662 -1.5862 -0.1481 -0.5582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18934 5787SOL OW18932 2.535 6.726 2.549 -0.1975 0.8690 0.7081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18935 5787SOL HW118933 2.585 6.779 2.617 0.5026 -3.0768 3.6174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18936 5787SOL HW218934 2.437 6.739 2.562 -0.0644 0.3581 2.3665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18937 5788SOL OW18935 2.501 6.603 3.697 -0.7022 0.2956 -0.2469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18938 5788SOL HW118936 2.570 6.658 3.650 -0.3310 -0.5836 -0.7566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18939 5788SOL HW218937 2.481 6.521 3.643 -0.7448 -0.4151 0.8148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18940 5789SOL OW18938 2.035 6.975 2.893 0.1005 -0.2266 0.2737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18941 5789SOL HW118939 2.000 7.023 2.973 0.6027 0.1053 0.2959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18942 5789SOL HW218940 2.068 7.041 2.825 1.2930 -0.5243 0.5315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18943 5790SOL OW18941 3.305 6.975 3.410 0.4250 0.1925 -0.2073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18944 5790SOL HW118942 3.386 7.032 3.423 -0.2028 0.6329 2.1068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18945 5790SOL HW218943 3.223 7.032 3.414 -0.1051 -0.5594 -0.1491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18946 5791SOL OW18944 2.227 5.955 3.310 -0.5329 -0.0355 0.0248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18947 5791SOL HW118945 2.303 5.927 3.251 -0.8606 0.2019 -0.5173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18948 5791SOL HW218946 2.178 5.873 3.342 -0.2744 -0.1710 0.0754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18949 5792SOL OW18947 3.535 5.896 2.556 -0.2769 -0.0616 -0.0959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18950 5792SOL HW118948 3.556 5.839 2.636 -0.4984 -0.8669 -0.6000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18951 5792SOL HW218949 3.460 5.959 2.579 -0.5076 -0.4601 0.2629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18952 5793SOL OW18950 2.847 6.764 3.349 -0.6865 -0.3007 -0.0105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18953 5793SOL HW118951 2.780 6.796 3.281 -1.5235 -0.7385 0.5956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18954 5793SOL HW218952 2.897 6.686 3.311 -0.2605 0.2434 -0.5995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18955 5794SOL OW18953 1.922 0.096 2.382 -0.5229 -0.0164 0.2255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18956 5794SOL HW118954 2.003 0.154 2.393 0.5477 -1.3851 -0.0296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18957 5794SOL HW218955 1.896 0.059 2.471 -0.4422 -0.1102 0.2105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18958 5795SOL OW18956 2.230 6.778 2.827 -0.2028 -0.3129 -0.2046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18959 5795SOL HW118957 2.151 6.838 2.844 -0.9624 -1.3574 0.1153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18960 5795SOL HW218958 2.204 6.683 2.848 1.9275 -0.4129 2.5978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18961 5796SOL OW18959 2.476 6.554 2.118 0.1030 -0.4231 0.0462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18962 5796SOL HW118960 2.513 6.544 2.025 -0.1823 0.8876 -0.2194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18963 5796SOL HW218961 2.541 6.603 2.175 -0.2303 -0.1609 0.2057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18964 5797SOL OW18962 3.386 5.728 3.370 -0.2590 -0.1626 0.1412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18965 5797SOL HW118963 3.341 5.651 3.325 2.3920 -2.2122 0.7091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18966 5797SOL HW218964 3.374 5.721 3.469 0.1692 0.0082 0.2099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18967 5798SOL OW18965 1.953 6.348 2.531 -0.1713 -0.3263 -0.2401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18968 5798SOL HW118966 1.874 6.289 2.548 -1.1435 0.4181 -1.9694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18969 5798SOL HW218967 1.948 6.429 2.591 0.6216 -1.4178 1.3914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18970 5799SOL OW18968 1.781 7.155 2.247 0.0493 0.5968 -0.4745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18971 5799SOL HW118969 1.852 7.085 2.242 0.2420 0.5305 1.9138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18972 5799SOL HW218970 1.821 7.240 2.283 -0.4545 1.5922 -2.1264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18973 5800SOL OW18971 3.349 6.465 2.465 0.5674 0.1576 0.4112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18974 5800SOL HW118972 3.370 6.428 2.556 1.0156 -0.7075 -0.0415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18975 5800SOL HW218973 3.413 6.540 2.445 -0.1136 0.9639 1.1781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18976 5801SOL OW18974 3.538 6.646 2.374 -0.2051 0.0128 -0.7364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18977 5801SOL HW118975 3.559 6.588 2.295 3.1615 -0.3619 0.2721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18978 5801SOL HW218976 3.621 6.694 2.403 -1.9945 2.3432 0.8811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18979 5802SOL OW18977 2.075 6.389 3.476 0.0400 -0.1241 0.3453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18980 5802SOL HW118978 2.066 6.459 3.405 0.1345 0.1517 0.6053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18981 5802SOL HW218979 2.008 6.317 3.460 1.3528 -1.0607 -1.1656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18982 5803SOL OW18980 2.365 7.089 2.672 -0.3647 -0.1442 0.4202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18983 5803SOL HW118981 2.430 7.074 2.747 1.4567 0.8186 -0.8862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18984 5803SOL HW218982 2.340 7.000 2.633 3.0450 -0.5473 -1.2957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18985 5804SOL OW18983 3.025 6.581 3.330 -0.2230 -0.4243 0.5131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18986 5804SOL HW118984 3.067 6.575 3.239 -0.1533 -0.3520 0.5398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18987 5804SOL HW218985 3.095 6.606 3.397 -0.5903 1.2117 0.3248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18988 5805SOL OW18986 2.638 5.395 2.261 0.9495 0.3547 -0.4808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18989 5805SOL HW118987 2.674 5.324 2.322 2.3956 1.6585 0.2689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18990 5805SOL HW218988 2.649 5.485 2.304 1.4503 1.2731 -2.3912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18991 5806SOL OW18989 2.020 6.565 3.280 0.1113 -0.3361 -0.0929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18992 5806SOL HW118990 2.113 6.538 3.252 0.6455 0.2562 1.0488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18993 5806SOL HW218991 1.984 6.631 3.214 0.8727 0.1384 -0.0502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18994 5807SOL OW18992 3.278 6.451 2.211 -0.0799 -0.0878 -0.7175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18995 5807SOL HW118993 3.202 6.396 2.176 -0.3354 0.7209 -1.4729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18996 5807SOL HW218994 3.283 6.441 2.310 -2.3867 1.2929 -0.3778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18997 5808SOL OW18995 2.211 5.956 3.671 0.0271 0.6750 0.1138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18998 5808SOL HW118996 2.252 6.003 3.749 2.7000 1.0299 -1.3901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
18999 5808SOL HW218997 2.206 6.018 3.593 0.1054 -0.4603 -0.8255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19000 5809SOL OW18998 3.333 7.247 2.689 0.3025 0.4401 -0.2607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19001 5809SOL HW118999 3.389 7.277 2.613 -0.5930 0.7512 -0.8057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19002 5809SOL HW219000 3.240 7.284 2.680 -0.3811 -1.1193 -0.0834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19003 5810SOL OW19001 2.399 6.348 2.314 -0.4099 0.3012 -0.1606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19004 5810SOL HW119002 2.442 6.413 2.251 -1.2876 1.5303 0.4595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19005 5810SOL HW219003 2.339 6.398 2.377 -0.5673 -1.0485 0.7955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19006 5811SOL OW19004 3.072 5.896 2.945 -0.2184 0.0710 -0.1762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19007 5811SOL HW119005 2.986 5.871 2.901 -1.0534 -0.3486 1.5925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19008 5811SOL HW219006 3.141 5.826 2.927 -0.7790 -0.4828 -0.1863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19009 5812SOL OW19007 3.418 7.044 2.192 0.3915 0.1551 -0.1874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19010 5812SOL HW119008 3.432 6.950 2.224 1.4016 -0.0161 -1.1024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19011 5812SOL HW219009 3.493 7.071 2.133 0.8776 2.0737 1.2234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19012 5813SOL OW19010 2.619 6.175 3.175 0.3828 -0.2895 0.3444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19013 5813SOL HW119011 2.630 6.082 3.208 -0.2294 -1.0530 -1.4631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19014 5813SOL HW219012 2.562 6.175 3.093 -0.4725 1.8052 0.8664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19015 5814SOL OW19013 3.089 5.829 3.487 -0.0710 0.2635 0.3895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19016 5814SOL HW119014 3.184 5.860 3.477 -0.6322 1.7220 -0.8558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19017 5814SOL HW219015 3.088 5.733 3.513 1.7766 -0.5455 -2.0961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19018 5815SOL OW19016 2.876 6.440 3.537 -0.2554 0.0739 0.3405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19019 5815SOL HW119017 2.929 6.358 3.517 -0.5870 0.1464 -0.9306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19020 5815SOL HW219018 2.883 6.503 3.460 -3.0275 -0.3719 -0.3760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19021 5816SOL OW19019 2.719 6.200 2.859 -0.4667 0.1587 -0.2742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19022 5816SOL HW119020 2.626 6.236 2.852 -1.1244 -1.3575 0.3947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19023 5816SOL HW219021 2.731 6.123 2.797 0.4129 0.4681 -0.5024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19024 5817SOL OW19022 2.851 6.174 2.200 -0.3587 0.0380 0.3943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19025 5817SOL HW119023 2.856 6.239 2.275 -1.8781 1.4550 -0.6425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19026 5817SOL HW219024 2.768 6.118 2.209 0.0058 -0.5238 0.3294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19027 5818SOL OW19025 1.936 6.580 2.729 -0.4621 0.0399 -0.1553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19028 5818SOL HW119026 2.016 6.575 2.790 0.7514 2.4475 -1.4084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19029 5818SOL HW219027 1.876 6.653 2.760 -0.3309 0.6299 -1.2670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19030 5819SOL OW19028 2.184 0.096 3.453 0.1704 0.5054 -0.1106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19031 5819SOL HW119029 2.114 0.031 3.482 -0.4950 1.2783 0.0604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19032 5819SOL HW219030 2.261 0.046 3.414 0.4192 -0.4939 1.5291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19033 5820SOL OW19031 2.768 5.870 1.924 0.1191 0.1426 -0.4830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19034 5820SOL HW119032 2.684 5.822 1.896 -0.1752 1.3658 -1.8711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19035 5820SOL HW219033 2.847 5.825 1.883 0.0078 -0.1591 -0.3715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19036 5821SOL OW19034 3.601 6.116 3.631 1.0295 0.9027 -0.1631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19037 5821SOL HW119035 3.630 6.203 3.592 -0.8168 1.1349 -1.1564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19038 5821SOL HW219036 3.559 6.060 3.559 -0.3336 0.3630 1.0007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19039 5822SOL OW19037 3.361 6.786 2.534 -0.1977 -0.9301 -0.3283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19040 5822SOL HW119038 3.333 6.834 2.451 0.0028 -1.1601 -0.5289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19041 5822SOL HW219039 3.438 6.726 2.513 1.2936 0.6034 0.4332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19042 5823SOL OW19040 2.256 5.716 2.649 -0.7195 0.6055 1.3089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19043 5823SOL HW119041 2.223 5.678 2.736 -2.4837 -0.3187 0.3011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19044 5823SOL HW219042 2.190 5.783 2.615 -0.7636 -0.0485 0.0405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19045 5824SOL OW19043 3.191 7.143 2.062 0.1716 -0.1374 0.1348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19046 5824SOL HW119044 3.163 7.232 2.098 3.5008 1.8215 -1.5973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19047 5824SOL HW219045 3.264 7.105 2.119 -0.9473 -1.6266 0.6279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19048 5825SOL OW19046 2.376 0.088 2.537 0.2713 0.0290 0.3507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19049 5825SOL HW119047 2.369 0.002 2.587 2.1394 0.0912 0.7678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19050 5825SOL HW219048 2.297 0.146 2.558 -1.0694 -1.5890 -0.0213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19051 5826SOL OW19049 3.728 6.562 2.631 0.5098 -0.2462 -0.3029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19052 5826SOL HW119050 3.735 6.640 2.569 0.5116 0.3204 0.3940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19053 5826SOL HW219051 3.679 6.590 2.714 0.6978 -0.9304 0.0431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19054 5827SOL OW19052 3.101 7.156 3.371 0.2882 0.0768 -0.7137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19055 5827SOL HW119053 3.047 7.179 3.452 2.1805 -1.2889 1.0555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19056 5827SOL HW219054 3.103 7.234 3.309 -1.4810 1.0730 0.3871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19057 5828SOL OW19055 2.209 6.493 2.111 0.2027 0.0386 0.6037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19058 5828SOL HW119056 2.307 6.515 2.119 0.0264 0.4753 1.7989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19059 5828SOL HW219057 2.198 6.395 2.096 0.8424 0.0517 0.0038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19060 5829SOL OW19058 3.095 6.438 2.549 0.0938 -0.0027 -0.1123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19061 5829SOL HW119059 3.101 6.377 2.629 -0.0705 -0.4357 -0.4292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19062 5829SOL HW219060 3.186 6.455 2.513 0.1451 -0.0227 0.0083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19063 5830SOL OW19061 2.297 7.054 3.569 0.1093 -0.1418 -0.2824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19064 5830SOL HW119062 2.363 7.084 3.638 1.0027 0.1804 -1.2605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19065 5830SOL HW219063 2.218 7.013 3.615 -0.1888 1.7583 1.0152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19066 5831SOL OW19064 2.095 5.705 3.390 0.2702 0.1183 -0.5369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19067 5831SOL HW119065 2.039 5.628 3.361 -0.3193 0.1142 0.5686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19068 5831SOL HW219066 2.084 5.720 3.488 0.4887 1.5164 -0.7007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19069 5832SOL OW19067 3.508 6.785 1.938 -0.1817 0.2580 0.0129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19070 5832SOL HW119068 3.481 6.837 1.857 1.8725 1.0971 -0.1806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19071 5832SOL HW219069 3.434 6.722 1.963 0.1334 -2.2024 -4.2640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19072 5833SOL OW19070 3.196 5.710 2.289 -1.1078 0.7907 -0.9477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19073 5833SOL HW119071 3.176 5.690 2.193 -2.1441 1.5627 -0.9194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19074 5833SOL HW219072 3.193 5.626 2.343 0.0717 0.2610 -1.6670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19075 5834SOL OW19073 2.191 6.486 2.451 0.4453 0.5159 0.4323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19076 5834SOL HW119074 2.116 6.424 2.475 0.8110 0.4096 1.3660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19077 5834SOL HW219075 2.157 6.559 2.392 -0.0149 -0.5120 -0.6069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19078 5835SOL OW19076 3.340 5.710 3.622 0.0060 0.3072 -0.1846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19079 5835SOL HW119077 3.364 5.761 3.704 0.9423 -0.2042 -0.1260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19080 5835SOL HW219078 3.324 5.614 3.645 1.5667 -0.1295 -0.7540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19081 5836SOL OW19079 2.549 5.703 1.873 -0.5468 -0.4548 -0.5304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19082 5836SOL HW119080 2.584 5.610 1.857 0.6934 0.1725 -1.5963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19083 5836SOL HW219081 2.500 5.734 1.791 -0.6527 -0.0283 -0.3055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19084 5837SOL OW19082 2.536 5.750 3.459 0.2932 0.0994 -0.5126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19085 5837SOL HW119083 2.632 5.738 3.484 0.1312 1.6613 1.0992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19086 5837SOL HW219084 2.503 5.837 3.495 -2.2353 -1.2361 0.6855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19087 5838SOL OW19085 2.947 7.167 2.887 -0.4620 -0.5693 -0.0924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19088 5838SOL HW119086 2.990 7.078 2.905 -0.1951 -1.1375 -3.0011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19089 5838SOL HW219087 2.869 7.154 2.826 0.2474 1.2529 -1.4910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19090 5839SOL OW19088 3.263 6.125 3.237 -0.2079 0.6413 -0.2264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19091 5839SOL HW119089 3.341 6.109 3.297 -1.3016 0.2680 1.1224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19092 5839SOL HW219090 3.277 6.211 3.187 1.4569 0.1499 -0.6833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19093 5840SOL OW19091 2.713 6.965 2.666 0.3190 0.2785 -0.5210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19094 5840SOL HW119092 2.810 6.942 2.661 -0.1723 -2.1621 -0.1518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19095 5840SOL HW219093 2.678 6.983 2.574 0.5547 -1.6568 -1.0349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19096 5841SOL OW19094 2.606 6.258 2.469 0.4653 0.5048 0.4609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19097 5841SOL HW119095 2.551 6.310 2.534 0.4760 1.2380 -0.1005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19098 5841SOL HW219096 2.546 6.225 2.395 0.9536 2.4835 -0.8965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19099 5842SOL OW19097 2.366 5.671 2.396 0.4934 0.2117 -0.2921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19100 5842SOL HW119098 2.326 5.690 2.486 -2.2032 0.0831 -1.3605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19101 5842SOL HW219099 2.353 5.750 2.336 1.2478 -0.1167 -0.9061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19102 5843SOL OW19100 3.288 6.603 1.957 0.0919 0.2036 0.0479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19103 5843SOL HW119101 3.308 6.544 2.035 -0.0559 -1.2754 -0.9974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19104 5843SOL HW219102 3.223 6.674 1.984 -0.4845 -0.7068 1.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19105 5844SOL OW19103 2.217 5.614 2.008 0.2432 -0.1202 0.1343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19106 5844SOL HW119104 2.307 5.656 2.020 0.3335 -0.3688 0.3421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19107 5844SOL HW219105 2.172 5.607 2.097 -0.4912 1.1289 -0.1279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19108 5845SOL OW19106 2.732 5.918 2.397 0.0365 0.2577 -0.7823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19109 5845SOL HW119107 2.710 5.942 2.303 1.9017 3.1835 -0.5780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19110 5845SOL HW219108 2.825 5.882 2.402 -0.4459 -0.9589 -0.1693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19111 5846SOL OW19109 2.936 6.173 3.436 -0.6095 -0.0765 0.7113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19112 5846SOL HW119110 2.906 6.151 3.529 0.7577 -1.6719 0.8341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19113 5846SOL HW219111 2.946 6.088 3.383 -0.2953 0.7183 -0.5398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19114 5847SOL OW19112 2.978 0.181 2.518 0.3459 0.3324 0.6230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19115 5847SOL HW119113 2.934 0.127 2.446 -0.4660 2.2079 -0.3657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19116 5847SOL HW219114 3.074 0.196 2.493 -0.0731 1.4811 -0.4671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19117 5848SOL OW19115 2.287 6.815 2.585 -0.2741 -0.4798 -0.7128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19118 5848SOL HW119116 2.266 6.780 2.677 0.4281 -1.5962 -0.9529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19119 5848SOL HW219117 2.207 6.806 2.526 -0.7998 0.4509 -0.1654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19120 5849SOL OW19118 2.995 5.985 1.819 0.0915 0.1995 -0.0862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19121 5849SOL HW119119 2.898 5.980 1.843 -0.1908 2.4997 -0.5321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19122 5849SOL HW219120 3.049 5.940 1.890 -1.2950 -1.7665 -0.1808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19123 5850SOL OW19121 1.836 6.365 3.217 0.6072 0.4830 0.8392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19124 5850SOL HW119122 1.897 6.443 3.227 0.3177 0.5206 2.6266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19125 5850SOL HW219123 1.866 6.290 3.277 1.2060 -1.0443 -1.2445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19126 5851SOL OW19124 2.276 5.814 2.963 -0.3692 0.2257 0.5318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19127 5851SOL HW119125 2.346 5.798 3.032 -1.6749 -1.0387 1.6362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19128 5851SOL HW219126 2.187 5.783 2.998 -0.9865 -1.1212 -1.9475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19129 5852SOL OW19127 2.655 5.650 2.453 0.0362 -0.5185 0.3939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19130 5852SOL HW119128 2.556 5.656 2.441 -0.1724 -1.5756 1.4305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19131 5852SOL HW219129 2.695 5.742 2.450 -0.7582 -0.1906 -1.5417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19132 5853SOL OW19130 3.312 6.556 2.750 -0.4781 0.0188 0.1034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19133 5853SOL HW119131 3.243 6.485 2.766 -0.3841 -0.9712 -3.0914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19134 5853SOL HW219132 3.271 6.630 2.697 0.6556 -0.2259 -1.1808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19135 5854SOL OW19133 3.169 6.089 2.763 0.4800 -0.8766 -0.4190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19136 5854SOL HW119134 3.160 6.026 2.840 1.5417 -2.3313 -1.4211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19137 5854SOL HW219135 3.264 6.089 2.732 0.0018 -0.5492 -1.9336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19138 5855SOL OW19136 3.558 6.273 2.345 0.0780 -0.6329 0.0272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19139 5855SOL HW119137 3.610 6.280 2.429 1.2182 -0.2966 -0.6861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19140 5855SOL HW219138 3.460 6.273 2.366 0.2506 2.2289 1.1873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19141 5856SOL OW19139 2.562 6.895 2.175 -0.3026 0.1195 -0.0187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19142 5856SOL HW119140 2.589 6.801 2.196 -0.3072 0.2689 0.6951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19143 5856SOL HW219141 2.506 6.896 2.093 0.1121 -0.4433 -0.3161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19144 5857SOL OW19142 3.751 6.787 2.479 -0.2001 -0.0744 0.0512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19145 5857SOL HW119143 3.827 6.830 2.431 1.5709 -1.5748 1.3776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19146 5857SOL HW219144 3.687 6.857 2.511 0.8912 1.2750 -0.6292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19147 5858SOL OW19145 3.292 5.785 2.007 -0.2362 -0.7427 -0.2430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19148 5858SOL HW119146 3.211 5.842 2.022 0.9419 0.6096 1.2084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19149 5858SOL HW219147 3.371 5.826 2.051 0.9118 -2.9626 -0.0885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19150 5859SOL OW19148 2.347 5.861 2.205 0.0337 0.5375 0.0720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19151 5859SOL HW119149 2.428 5.840 2.151 1.6763 -0.9485 2.8717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19152 5859SOL HW219150 2.333 5.960 2.207 1.5520 0.8022 -0.8094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19153 5860SOL OW19151 3.649 6.802 3.342 0.5460 -0.2404 0.5342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19154 5860SOL HW119152 3.716 6.728 3.336 -0.3148 -0.9221 -2.1138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19155 5860SOL HW219153 3.688 6.886 3.307 0.2074 -0.5440 -0.6315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19156 5861SOL OW19154 2.751 6.913 3.126 0.4119 -0.4160 0.2978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19157 5861SOL HW119155 2.702 6.896 3.040 0.1770 0.7549 0.1848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19158 5861SOL HW219156 2.726 7.002 3.162 0.5889 -0.8463 1.5488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19159 5862SOL OW19157 3.525 7.158 3.423 0.1350 -0.2088 -0.1505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19160 5862SOL HW119158 3.523 7.212 3.339 -1.8652 -2.1622 -1.4725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19161 5862SOL HW219159 3.613 7.111 3.430 0.6891 0.7183 -0.6218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19162 5863SOL OW19160 3.005 6.849 3.024 0.4607 0.4631 0.2988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19163 5863SOL HW119161 2.915 6.861 3.066 -0.8575 0.1320 -2.2717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19164 5863SOL HW219162 2.996 6.848 2.925 3.1500 -0.8739 -0.0188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19165 5864SOL OW19163 3.585 6.652 2.842 -0.5718 0.1931 0.5356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19166 5864SOL HW119164 3.591 6.748 2.870 1.0143 0.5001 -0.7198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19167 5864SOL HW219165 3.502 6.637 2.788 -0.2607 1.1430 -0.2258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19168 5865SOL OW19166 2.764 5.673 3.051 0.2430 0.0116 -0.4168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19169 5865SOL HW119167 2.803 5.712 2.967 1.4731 0.0095 0.1351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19170 5865SOL HW219168 2.819 5.700 3.129 -0.0752 -1.1490 0.2286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19171 5866SOL OW19169 2.717 6.744 3.600 -0.4495 0.2808 0.3183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19172 5866SOL HW119170 2.751 6.763 3.508 0.4026 0.5407 0.6731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19173 5866SOL HW219171 2.779 6.681 3.646 -0.8224 0.2250 0.7537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19174 5867SOL OW19172 2.636 6.663 2.309 -0.0704 -0.4925 0.2270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19175 5867SOL HW119173 2.599 6.675 2.401 -0.2435 -0.4278 0.1501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19176 5867SOL HW219174 2.711 6.597 2.311 -0.0034 -0.4114 0.4312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19177 5868SOL OW19175 2.233 6.432 3.147 -0.1119 0.2179 0.1415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19178 5868SOL HW119176 2.321 6.429 3.194 0.3831 0.2006 -0.7674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19179 5868SOL HW219177 2.204 6.338 3.124 -0.7181 0.1711 1.0710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19180 5869SOL OW19178 3.017 6.014 3.203 0.8574 -0.2222 0.2084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19181 5869SOL HW119179 3.098 6.067 3.230 0.9873 -0.0194 -0.5608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19182 5869SOL HW219180 3.021 5.994 3.105 0.0046 -0.2750 0.1781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19183 5870SOL OW19181 1.604 0.106 3.287 0.5919 -0.4902 0.3529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19184 5870SOL HW119182 1.601 0.063 3.196 -0.2550 1.0750 -0.3990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19185 5870SOL HW219183 1.641 0.041 3.353 0.0379 -2.1121 -0.8593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19186 5871SOL OW19184 2.103 6.816 2.403 0.0491 -0.1591 0.1875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19187 5871SOL HW119185 2.107 6.913 2.379 -0.8859 0.0686 0.8712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19188 5871SOL HW219186 2.065 6.765 2.326 -1.4506 0.3384 0.5588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19189 5872SOL OW19187 2.336 6.061 2.579 0.2433 -0.0810 -0.1108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19190 5872SOL HW119188 2.366 6.156 2.572 -1.0753 0.3032 -0.8709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19191 5872SOL HW219189 2.387 6.015 2.652 -1.3715 2.1208 2.5963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19192 5873SOL OW19190 3.249 6.963 2.712 0.4326 -0.3888 -0.0120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19193 5873SOL HW119191 3.293 6.898 2.649 -0.7176 -0.3844 -0.8480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19194 5873SOL HW219192 3.296 7.051 2.707 -1.1823 0.4138 -2.8609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19195 5874SOL OW19193 3.198 7.048 3.111 -0.1469 0.0044 0.1009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19196 5874SOL HW119194 3.176 7.064 3.207 -0.9775 1.4545 -0.2992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19197 5874SOL HW219195 3.158 6.961 3.081 -0.1256 -0.3182 0.9772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19198 5875SOL OW19196 3.228 6.108 2.257 -0.4005 0.0962 -0.0025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19199 5875SOL HW119197 3.192 6.107 2.350 -0.9617 -2.8418 -0.1322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19200 5875SOL HW219198 3.183 6.180 2.204 0.6517 2.4931 2.1692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19201 5876SOL OW19199 2.247 7.068 3.141 -0.3041 -0.0032 0.0478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19202 5876SOL HW119200 2.148 7.054 3.141 -0.4923 -0.0066 -4.2331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19203 5876SOL HW219201 2.274 7.118 3.223 -4.0086 1.0911 0.7839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19204 5877SOL OW19202 2.436 6.371 3.559 0.0181 -0.0895 -0.2777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19205 5877SOL HW119203 2.462 6.409 3.470 -1.2867 0.3455 -0.5096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19206 5877SOL HW219204 2.381 6.288 3.545 -1.7542 0.9835 0.0206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19207 5878SOL OW19205 3.617 6.354 3.521 -0.1490 0.3357 0.0353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19208 5878SOL HW119206 3.527 6.357 3.477 -1.1166 0.5400 1.9174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19209 5878SOL HW219207 3.688 6.374 3.453 -1.4532 -0.4037 -1.6237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19210 5879SOL OW19208 2.949 5.723 3.263 -0.1353 -0.3878 -0.5694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19211 5879SOL HW119209 3.002 5.807 3.262 -0.3768 -0.2371 -0.6658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19212 5879SOL HW219210 2.973 5.669 3.344 -0.2336 -0.0692 -0.3312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19213 5880SOL OW19211 2.345 5.549 3.448 -0.0409 0.9265 0.7612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19214 5880SOL HW119212 2.253 5.580 3.423 0.3387 1.0955 -0.5482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19215 5880SOL HW219213 2.410 5.625 3.438 0.5813 0.2681 -0.5519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19216 5881SOL OW19214 2.509 6.636 2.888 0.7256 0.0664 0.0189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19217 5881SOL HW119215 2.556 6.723 2.904 -0.8900 0.8991 0.3332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19218 5881SOL HW219216 2.414 6.642 2.917 -0.0644 -1.0649 -2.0559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19219 5882SOL OW19217 3.130 6.360 2.803 -0.1229 0.3914 0.4260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19220 5882SOL HW119218 3.079 6.357 2.889 -1.1181 0.1562 -0.1567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19221 5882SOL HW219219 3.151 6.267 2.774 -1.7306 0.3529 -0.6948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19222 5883SOL OW19220 3.055 5.950 2.105 0.6572 0.4332 0.0154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19223 5883SOL HW119221 3.120 5.980 2.175 0.4845 -0.7702 0.7202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19224 5883SOL HW219222 2.973 6.006 2.110 0.8595 0.7053 0.4162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19225 5884SOL OW19223 2.037 5.722 3.033 -0.1723 -0.9789 -0.1398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19226 5884SOL HW119224 1.998 5.768 3.112 -0.2156 -1.5731 0.1937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19227 5884SOL HW219225 1.985 5.638 3.014 0.8379 -1.7097 0.2240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19228 5885SOL OW19226 1.924 7.093 3.115 0.1374 -0.1760 -0.5996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19229 5885SOL HW119227 1.870 7.112 3.197 -0.7392 -1.2368 -0.9209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19230 5885SOL HW219228 1.868 7.107 3.034 0.6124 -0.4283 -0.9744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19231 5886SOL OW19229 2.497 6.343 2.830 -0.3277 0.1148 -0.0329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19232 5886SOL HW119230 2.460 6.384 2.747 -1.6819 2.0698 1.4337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19233 5886SOL HW219231 2.523 6.415 2.894 1.8931 -1.3133 0.7797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19234 5887SOL OW19232 3.689 6.437 3.772 -0.9513 -0.5066 -0.0733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19235 5887SOL HW119233 3.669 6.406 3.679 -0.0681 -0.7039 -0.2099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19236 5887SOL HW219234 3.610 6.419 3.830 -1.5514 -0.2880 -0.8039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19237 5888SOL OW19235 2.094 5.745 2.273 0.3549 0.1969 -0.0834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19238 5888SOL HW119236 2.177 5.800 2.266 0.6094 0.2533 2.3960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19239 5888SOL HW219237 2.027 5.793 2.330 0.0300 -1.3983 0.9550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19240 5889SOL OW19238 3.434 5.927 2.218 -0.3033 0.2780 0.3174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19241 5889SOL HW119239 3.455 5.912 2.315 1.2874 1.1975 0.1404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19242 5889SOL HW219240 3.370 6.003 2.209 -2.4044 -1.3234 0.7408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19243 5890SOL OW19241 2.904 6.372 2.981 -0.0204 -0.5026 -0.7990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19244 5890SOL HW119242 2.911 6.352 3.078 -0.1296 -3.0593 -1.2317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19245 5890SOL HW219243 2.855 6.297 2.935 2.6750 -0.9556 -3.2570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19246 5891SOL OW19244 2.942 7.146 3.598 -0.0955 0.0813 0.1859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19247 5891SOL HW119245 2.844 7.142 3.616 -0.1997 1.2605 -0.0248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19248 5891SOL HW219246 2.980 7.054 3.596 -0.9595 -0.3296 1.5969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19249 5892SOL OW19247 3.773 7.035 3.305 0.9381 0.3752 0.3276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19250 5892SOL HW119248 3.807 7.103 3.239 -0.1280 0.0476 -0.5979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19251 5892SOL HW219249 3.832 7.035 3.386 1.6679 1.5396 -0.1681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19252 5893SOL OW19250 2.221 6.432 3.708 -0.0605 0.4704 0.6254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19253 5893SOL HW119251 2.315 6.435 3.676 -0.3894 1.0571 -0.3207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19254 5893SOL HW219252 2.159 6.445 3.631 -0.9785 -1.5349 0.9588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19255 5894SOL OW19253 3.335 5.555 1.887 0.4497 -0.3461 -0.2718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19256 5894SOL HW119254 3.341 5.480 1.953 -2.6180 -1.7891 -1.4374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19257 5894SOL HW219255 3.315 5.640 1.935 0.5985 -0.9067 0.8279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19258 5895SOL OW19256 3.122 6.223 1.799 0.1714 -0.1898 -0.5083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19259 5895SOL HW119257 3.055 6.150 1.786 -0.4266 0.5952 -1.9191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19260 5895SOL HW219258 3.150 6.259 1.710 2.5610 -0.5577 0.0084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19261 5896SOL OW19259 2.979 6.897 2.751 -0.0439 0.1638 -0.0833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19262 5896SOL HW119260 2.964 6.819 2.690 -1.9220 1.4738 -1.4193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19263 5896SOL HW219261 3.063 6.944 2.725 -0.0670 -0.1254 -0.7046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19264 5897SOL OW19262 2.164 6.515 2.888 -0.3506 -0.1482 -0.1923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19265 5897SOL HW119263 2.144 6.422 2.856 0.7191 -0.8296 1.0375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19266 5897SOL HW219264 2.192 6.512 2.984 -0.5542 1.4866 -0.0608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19267 5898SOL OW19265 2.092 6.273 2.794 0.4912 0.7508 -0.2585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19268 5898SOL HW119266 2.111 6.183 2.834 -0.0290 0.7231 -0.0682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19269 5898SOL HW219267 2.052 6.262 2.703 0.7259 0.7998 -0.3703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19270 5899SOL OW19268 2.813 5.855 3.528 -0.1669 -0.4823 0.5754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19271 5899SOL HW119269 2.800 5.936 3.585 0.8028 -0.1802 0.3827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19272 5899SOL HW219270 2.907 5.822 3.536 0.0307 -0.3649 -0.9255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19273 5900SOL OW19271 2.736 5.927 3.261 0.9699 -0.8669 -0.4304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19274 5900SOL HW119272 2.736 5.891 3.355 1.5744 -1.6720 -0.7303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19275 5900SOL HW219273 2.795 5.871 3.204 -0.4035 -1.1756 -1.5953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19276 5901SOL OW19274 1.739 6.935 1.971 0.2080 0.2337 -0.7701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19277 5901SOL HW119275 1.649 6.977 1.972 -1.1800 -2.5366 -0.4175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19278 5901SOL HW219276 1.730 6.836 1.980 3.3882 -0.0169 1.2487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19279 5902SOL OW19277 2.121 7.196 2.753 -0.2131 0.5976 -0.6652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19280 5902SOL HW119278 2.139 7.275 2.813 0.7874 -1.2485 1.6124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19281 5902SOL HW219279 2.204 7.172 2.703 -0.3102 0.5105 -0.7862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19282 5903SOL OW19280 2.846 6.305 3.230 0.5008 -0.2443 -0.1301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19283 5903SOL HW119281 2.893 6.281 3.315 1.6812 1.3556 -0.2761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19284 5903SOL HW219282 2.758 6.258 3.226 0.9764 -1.3453 1.3642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19285 5904SOL OW19283 1.654 6.467 2.903 -0.3857 0.8381 0.1978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19286 5904SOL HW119284 1.615 6.557 2.926 3.0636 1.9402 2.4641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19287 5904SOL HW219285 1.751 6.477 2.882 -0.1870 -2.2712 -0.9369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19288 5905SOL OW19286 2.258 6.181 3.485 0.1626 0.1792 -0.2748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19289 5905SOL HW119287 2.256 6.118 3.408 -0.9504 0.7925 -0.7603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19290 5905SOL HW219288 2.195 6.257 3.469 1.1478 1.2118 0.4851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19291 5906SOL OW19289 3.350 6.407 3.426 0.6509 -0.0963 0.3249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19292 5906SOL HW119290 3.323 6.495 3.465 -1.3576 -1.2931 1.8069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19293 5906SOL HW219291 3.352 6.414 3.326 -0.0904 1.4601 0.3890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19294 5907SOL OW19292 2.638 5.957 2.156 0.2473 -0.5655 -0.7371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19295 5907SOL HW119293 2.697 5.944 2.077 2.5917 1.0123 0.6339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19296 5907SOL HW219294 2.549 5.991 2.127 -0.0085 -2.7684 -2.8557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19297 5908SOL OW19295 3.435 6.079 2.728 -0.2937 -0.2483 -0.4565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19298 5908SOL HW119296 3.480 6.013 2.789 -1.5818 -0.6831 0.0676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19299 5908SOL HW219297 3.502 6.146 2.696 1.1521 -2.0389 -1.3559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19300 5909SOL OW19298 1.937 7.156 3.565 -0.4059 0.8754 0.3560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19301 5909SOL HW119299 1.864 7.200 3.616 0.2951 1.7607 0.6437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19302 5909SOL HW219300 1.986 7.092 3.624 -1.3943 -0.2739 -0.0468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19303 5910SOL OW19301 2.404 6.117 2.970 0.5743 -0.4214 0.4504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19304 5910SOL HW119302 2.316 6.136 3.013 0.7879 2.0074 -0.0693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19305 5910SOL HW219303 2.434 6.196 2.918 2.8909 -1.3371 0.2683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19306 5911SOL OW19304 2.382 6.133 2.147 0.4638 0.1962 -0.6593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19307 5911SOL HW119305 2.393 6.195 2.225 1.0228 1.3080 -1.5950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19308 5911SOL HW219306 2.293 6.150 2.103 1.2475 1.4586 -1.8363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19309 5912SOL OW19307 1.868 6.682 3.485 0.3367 -0.1086 -0.1301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19310 5912SOL HW119308 1.894 6.679 3.581 3.1203 0.4367 -0.7669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19311 5912SOL HW219309 1.936 6.632 3.431 -0.6064 0.4471 -1.9090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19312 5913SOL OW19310 3.200 6.651 3.123 -0.1976 0.2561 0.0377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19313 5913SOL HW119311 3.121 6.697 3.080 0.2972 0.9861 -0.1063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19314 5913SOL HW219312 3.273 6.717 3.137 0.4525 -0.4537 0.0365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19315 5914SOL OW19313 3.093 6.281 2.087 -0.4837 0.3376 -0.1988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19316 5914SOL HW119314 3.002 6.243 2.076 -0.1191 -0.1539 -1.7737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19317 5914SOL HW219315 3.131 6.305 1.998 0.1195 2.5288 0.5781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19318 5915SOL OW19316 3.682 7.141 2.930 -0.2709 -0.0689 0.8503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19319 5915SOL HW119317 3.722 7.177 2.846 0.7325 2.2174 2.2191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19320 5915SOL HW219318 3.583 7.158 2.930 -0.2815 -0.1193 0.1356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19321 5916SOL OW19319 3.095 0.092 2.736 0.0829 0.2467 0.2444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19322 5916SOL HW119320 3.020 0.120 2.676 -0.1499 -2.0832 -0.6734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19323 5916SOL HW219321 3.066 0.012 2.789 2.1822 -1.3223 -0.8523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19324 5917SOL OW19322 1.893 6.732 3.124 -0.2166 0.2726 -0.1169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19325 5917SOL HW119323 1.814 6.771 3.170 -0.7056 -1.3183 0.4628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19326 5917SOL HW219324 1.907 6.777 3.036 -1.8096 0.5332 -0.2547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19327 5918SOL OW19325 3.523 5.595 2.365 -0.3166 0.0926 0.3782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19328 5918SOL HW119326 3.559 5.588 2.272 1.7007 0.0625 1.1169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19329 5918SOL HW219327 3.435 5.643 2.363 -0.9137 -0.9634 -1.6506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19330 5919SOL OW19328 3.519 7.128 2.470 -0.1911 0.0797 0.5973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19331 5919SOL HW119329 3.482 7.090 2.385 -1.1078 -0.1082 1.0678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19332 5919SOL HW219330 3.503 7.226 2.473 -2.4936 -0.2698 1.6701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19333 5920SOL OW19331 1.797 0.177 3.878 0.3774 0.1478 0.0028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19334 5920SOL HW119332 1.750 0.264 3.864 1.5431 0.5097 -1.9406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19335 5920SOL HW219333 1.896 0.192 3.880 0.6581 -1.2251 -1.4542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19336 5921SOL OW19334 3.278 6.745 2.216 -0.0642 -0.4315 0.7578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19337 5921SOL HW119335 3.185 6.751 2.254 0.3317 -0.7078 1.7997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19338 5921SOL HW219336 3.302 6.649 2.203 0.2585 -0.3787 0.9570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19339 5922SOL OW19337 2.691 7.193 3.208 0.1463 -0.5896 -0.4105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19340 5922SOL HW119338 2.672 7.231 3.298 -0.2503 -0.1500 -0.6691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19341 5922SOL HW219339 2.615 7.216 3.146 1.3021 0.8392 -1.3786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19342 5923SOL OW19340 2.699 7.138 2.177 0.2229 0.3629 0.4624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19343 5923SOL HW119341 2.774 7.154 2.242 1.4038 -1.4959 -0.3501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19344 5923SOL HW219342 2.690 7.040 2.161 -1.4166 0.6538 -0.6465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19345 5924SOL OW19343 3.595 5.602 2.670 0.2034 0.2945 0.5804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19346 5924SOL HW119344 3.587 5.585 2.572 -1.5346 0.6595 0.6198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19347 5924SOL HW219345 3.513 5.649 2.702 -0.1207 -1.4618 2.5562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19348 5925SOL OW19346 1.831 6.086 2.687 -0.0504 -0.2151 -0.2425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19349 5925SOL HW119347 1.745 6.114 2.729 -2.3724 -2.0839 -3.3456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19350 5925SOL HW219348 1.860 5.999 2.726 -0.2816 -0.2511 -0.1483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19351 5926SOL OW19349 3.097 7.127 1.800 0.1180 0.5012 -0.5416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19352 5926SOL HW119350 3.122 7.118 1.897 -1.2581 0.8299 -0.1236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19353 5926SOL HW219351 3.153 7.198 1.757 1.9300 -0.8112 -0.4595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19354 5927SOL OW19352 2.725 6.555 3.167 0.0045 -0.6456 -0.1912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19355 5927SOL HW119353 2.782 6.483 3.208 -0.7398 -0.8848 0.4431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19356 5927SOL HW219354 2.708 6.533 3.071 0.8586 -0.6412 -0.3543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19357 5928SOL OW19355 2.839 6.490 2.258 0.0886 -0.3006 -0.1832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19358 5928SOL HW119356 2.808 6.487 2.163 -1.4066 -3.0123 0.3117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19359 5928SOL HW219357 2.918 6.430 2.270 -0.8738 -1.4548 0.6145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19360 5929SOL OW19358 2.359 7.173 3.356 -0.0451 0.4901 0.1749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19361 5929SOL HW119359 2.451 7.212 3.362 0.1971 0.0839 -0.7639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19362 5929SOL HW219360 2.339 7.122 3.440 0.9927 -0.2882 -0.0310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19363 5930SOL OW19361 3.422 6.792 3.195 -0.8011 0.5676 -0.0852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19364 5930SOL HW119362 3.512 6.753 3.218 -1.3042 -0.3777 0.3659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19365 5930SOL HW219363 3.389 6.845 3.273 -1.2675 -0.3148 0.3428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19366 5931SOL OW19364 2.891 6.655 2.560 0.1419 0.5299 0.3499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19367 5931SOL HW119365 2.829 6.636 2.636 -0.3823 -1.0678 -0.4488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19368 5931SOL HW219366 2.959 6.582 2.552 0.3835 0.8295 -0.5271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19369 5932SOL OW19367 2.888 5.763 2.783 0.1300 0.7931 -0.2132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19370 5932SOL HW119368 2.895 5.687 2.719 3.7730 0.9809 -0.2936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19371 5932SOL HW219369 2.844 5.841 2.739 1.2407 0.4341 -2.0687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19372 5933SOL OW19370 2.521 7.056 2.418 0.0051 0.4015 0.3246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19373 5933SOL HW119371 2.425 7.031 2.429 0.2198 0.1631 1.9083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19374 5933SOL HW219372 2.552 7.027 2.328 -1.3782 0.4017 -0.1792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19375 5934SOL OW19373 3.592 6.069 3.166 -0.4654 -0.4292 -0.8075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19376 5934SOL HW119374 3.678 6.120 3.173 -1.3726 0.9661 1.4058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19377 5934SOL HW219375 3.577 6.041 3.071 2.0914 -0.1614 -1.3584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19378 5935SOL OW19376 2.042 7.058 2.297 0.0291 0.1681 -1.0423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19379 5935SOL HW119377 2.064 7.045 2.200 1.1858 0.2851 -0.8086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19380 5935SOL HW219378 2.026 7.155 2.314 -0.7324 0.0810 -1.2157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19381 5936SOL OW19379 2.037 6.674 3.723 -0.0150 -0.3198 -0.0939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19382 5936SOL HW119380 1.948 6.657 3.766 0.7430 0.5751 1.9822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19383 5936SOL HW219381 2.106 6.615 3.766 0.5435 -0.4412 -1.1333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19384 5937SOL OW19382 2.471 5.819 3.171 -0.3918 -0.5058 0.0198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19385 5937SOL HW119383 2.560 5.861 3.155 -0.6073 -1.0388 -3.2179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19386 5937SOL HW219384 2.483 5.738 3.228 1.1608 -0.4218 -0.1367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19387 5938SOL OW19385 2.010 6.031 1.884 -0.3989 -0.4455 -0.0342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19388 5938SOL HW119386 2.014 5.961 1.813 -0.8217 0.5046 -1.0185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19389 5938SOL HW219387 1.985 6.119 1.844 -1.3316 -0.0129 1.3925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19390 5939SOL OW19388 3.320 6.383 3.142 0.1777 -0.7573 0.0872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19391 5939SOL HW119389 3.267 6.459 3.104 -0.2781 -0.5039 1.1911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19392 5939SOL HW219390 3.408 6.378 3.096 -0.2957 -0.3775 -0.8946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19393 5940SOL OW19391 1.962 5.641 1.882 0.0519 0.0854 0.4871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19394 5940SOL HW119392 1.958 5.709 1.808 -0.1536 -1.1559 -0.6948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19395 5940SOL HW219393 2.048 5.650 1.932 -0.4791 1.9543 1.1092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19396 5941SOL OW19394 3.166 6.849 1.913 0.3512 0.4992 -0.3533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19397 5941SOL HW119395 3.181 6.891 2.002 1.7594 -0.7399 0.0434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19398 5941SOL HW219396 3.171 6.919 1.842 -0.4108 1.4405 0.4941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19399 5942SOL OW19397 2.510 6.417 3.269 -0.0979 -0.0128 0.4603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19400 5942SOL HW119398 2.583 6.485 3.265 0.5646 -0.7613 -1.4195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19401 5942SOL HW219399 2.540 6.334 3.222 -1.7402 -0.7655 0.6791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19402 5943SOL OW19400 3.452 0.128 2.467 -0.1296 0.1677 0.0461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19403 5943SOL HW119401 3.471 0.207 2.526 -1.4360 0.2245 0.4302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19404 5943SOL HW219402 3.458 0.156 2.371 -0.1923 0.6394 0.1754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19405 5944SOL OW19403 2.454 5.970 3.595 -0.3022 0.4295 0.0319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19406 5944SOL HW119404 2.359 5.952 3.622 -0.8974 1.8867 -0.9985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19407 5944SOL HW219405 2.495 6.034 3.660 -0.4551 0.8263 -0.2597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19408 5945SOL OW19406 3.247 6.657 3.490 -0.1278 -0.9047 0.1615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19409 5945SOL HW119407 3.305 6.642 3.571 -2.0975 -1.4766 1.5386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19410 5945SOL HW219408 3.259 6.750 3.457 1.9524 -1.1558 0.0454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19411 5946SOL OW19409 3.604 6.428 3.033 0.2233 -0.8849 0.7938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19412 5946SOL HW119410 3.676 6.386 2.978 0.1054 -1.4772 1.0869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19413 5946SOL HW219411 3.590 6.523 3.002 0.0920 -1.2312 -0.2510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19414 5947SOL OW19412 2.992 5.894 2.402 -0.0150 -0.3387 0.4005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19415 5947SOL HW119413 3.031 5.974 2.447 -1.2232 0.9991 -0.8207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19416 5947SOL HW219414 3.066 5.838 2.363 0.9035 -0.4091 2.1717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19417 5948SOL OW19415 2.411 6.468 2.607 0.2851 0.2871 0.0992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19418 5948SOL HW119416 2.317 6.468 2.572 -0.1309 0.0290 1.1847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19419 5948SOL HW219417 2.461 6.543 2.565 -0.1228 -0.1326 -1.2052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19420 5949SOL OW19418 3.507 5.989 3.414 0.7178 0.0559 0.5420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19421 5949SOL HW119419 3.544 6.005 3.322 0.8080 -0.9497 0.3966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19422 5949SOL HW219420 3.470 5.897 3.419 -2.0728 1.1022 0.5995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19423 5950SOL OW19421 3.753 6.389 3.269 0.4929 -0.1900 0.2234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19424 5950SOL HW119422 3.786 6.474 3.310 -1.7816 0.6888 0.4223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19425 5950SOL HW219423 3.686 6.411 3.198 0.8735 -1.8026 -0.6630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19426 5951SOL OW19424 2.931 6.937 2.221 0.0106 -0.2702 0.8231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19427 5951SOL HW119425 2.973 6.872 2.284 2.6240 -0.4461 -0.9159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19428 5951SOL HW219426 2.919 6.894 2.131 0.0386 1.0765 0.1479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19429 5952SOL OW19427 2.760 6.536 2.766 0.0049 -0.7228 -0.4856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19430 5952SOL HW119428 2.822 6.501 2.837 0.4443 1.6645 0.3891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19431 5952SOL HW219429 2.688 6.590 2.809 -0.1014 0.2325 -1.8334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19432 5953SOL OW19430 2.772 6.537 2.003 0.1037 -0.2555 -0.0710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19433 5953SOL HW119431 2.701 6.585 1.952 -0.1479 -1.1824 -0.6005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19434 5953SOL HW219432 2.796 6.452 1.957 0.3010 -0.8254 1.0367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19435 5954SOL OW19433 3.772 7.205 2.690 0.1257 -0.4411 -0.1382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19436 5954SOL HW119434 3.744 7.141 2.618 -0.3140 -0.0513 -0.3206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19437 5954SOL HW219435 3.870 7.221 2.685 0.1749 -0.8077 -0.3312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19438 5955SOL OW19436 2.081 6.955 3.716 -0.6677 0.6880 0.1530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19439 5955SOL HW119437 2.081 6.855 3.703 -1.1780 0.8681 -1.4850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19440 5955SOL HW219438 2.101 6.976 3.811 -0.3036 -0.9766 0.4792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19441 5956SOL OW19439 1.840 6.773 2.498 -0.7444 0.7241 -0.2906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19442 5956SOL HW119440 1.879 6.686 2.529 -1.7716 -0.7334 -2.7858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19443 5956SOL HW219441 1.912 6.842 2.494 0.1682 -0.0630 1.4308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19444 5957SOL OW19442 2.622 7.244 3.456 -0.4529 0.0254 0.3755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19445 5957SOL HW119443 2.662 7.161 3.496 0.2933 1.0042 1.7292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19446 5957SOL HW219444 2.624 7.318 3.524 2.1315 2.1855 -1.8064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19447 5958SOL OW19445 3.540 5.918 2.936 0.8411 0.4832 0.1832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19448 5958SOL HW119446 3.591 5.832 2.942 -0.9020 -0.5444 0.8143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19449 5958SOL HW219447 3.475 5.924 3.012 -0.0579 1.7097 -0.6423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19450 5959SOL OW19448 2.118 5.910 2.521 -0.1592 -0.3734 0.1335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19451 5959SOL HW119449 2.192 5.973 2.542 -0.0116 -1.0943 1.8943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19452 5959SOL HW219450 2.034 5.962 2.503 0.4350 0.3827 -0.5312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19453 5960SOL OW19451 3.412 7.178 2.957 -0.2076 0.2744 -0.1832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19454 5960SOL HW119452 3.364 7.203 2.873 -0.4986 0.3281 -0.0035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19455 5960SOL HW219453 3.347 7.141 3.023 -0.0094 0.3921 0.0831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19456 5961SOL OW19454 2.180 6.151 3.126 -0.0491 -0.4801 0.5094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19457 5961SOL HW119455 2.181 6.081 3.197 -1.6820 -1.9183 -0.8299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19458 5961SOL HW219456 2.126 6.120 3.048 0.7008 1.5387 -0.9004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19459 5962SOL OW19457 2.688 0.002 2.476 -0.5912 -0.1764 -0.2166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19460 5962SOL HW119458 2.770 -0.033 2.431 0.7062 -0.5972 2.2790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19461 5962SOL HW219459 2.614 -0.065 2.468 -0.1904 -0.5353 -1.0569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19462 5963SOL OW19460 3.334 5.876 3.137 -0.7587 -0.3921 0.2990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19463 5963SOL HW119461 3.344 5.810 3.212 -0.5636 -0.2661 0.3844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19464 5963SOL HW219462 3.274 5.950 3.165 -2.1218 -1.2454 -0.2772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19465 5964SOL OW19463 2.739 5.955 2.672 -0.2594 -0.0367 -0.2010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19466 5964SOL HW119464 2.643 5.937 2.697 -0.9848 1.8367 -1.4724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19467 5964SOL HW219465 2.747 5.965 2.573 0.9291 1.5352 0.0187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19468 5965SOL OW19466 3.021 6.693 2.319 0.2998 -0.4538 0.5961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19469 5965SOL HW119467 2.954 6.630 2.280 1.4526 -0.6742 -1.1721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19470 5965SOL HW219468 2.999 6.711 2.415 -0.1817 -3.3807 1.1342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19471 5966SOL OW19469 2.464 7.246 3.028 -0.2908 -0.2438 -0.1015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19472 5966SOL HW119470 2.477 7.327 2.970 -1.9172 -0.2734 -0.5609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19473 5966SOL HW219471 2.383 7.196 2.997 -0.4456 -0.9697 1.4019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19474 5967SOL OW19472 3.089 5.533 2.109 -0.7126 0.2745 -0.0084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19475 5967SOL HW119473 3.157 5.486 2.052 0.1915 1.1360 0.3233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19476 5967SOL HW219474 2.997 5.510 2.077 -0.2579 -0.3472 -0.9274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19477 5968SOL OW19475 3.101 6.121 2.502 -0.3755 0.1204 -0.0786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19478 5968SOL HW119476 3.020 6.179 2.511 0.1797 0.5862 2.8191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19479 5968SOL HW219477 3.130 6.089 2.592 0.5691 -3.0367 -1.3499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19480 5969SOL OW19478 3.387 5.754 2.747 -0.5657 0.4819 -0.4578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19481 5969SOL HW119479 3.291 5.730 2.731 -0.7005 0.9999 -0.4400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19482 5969SOL HW219480 3.395 5.802 2.835 -0.2856 0.3969 -0.4386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19483 5970SOL OW19481 2.026 6.640 2.216 0.7831 0.0565 0.0091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19484 5970SOL HW119482 2.082 6.566 2.178 -0.9474 -1.3126 -0.0229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19485 5970SOL HW219483 1.930 6.624 2.193 -0.0032 0.7199 2.5066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19486 5971SOL OW19484 2.113 6.222 3.843 0.0139 -0.2113 -0.3740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19487 5971SOL HW119485 2.014 6.228 3.854 -0.6137 -2.4936 -3.4187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19488 5971SOL HW219486 2.143 6.286 3.772 0.2727 -1.3280 -1.2946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19489 5972SOL OW19487 1.857 5.925 4.758 -0.2684 -0.1626 0.0487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19490 5972SOL HW119488 1.904 5.904 4.844 -0.8961 -0.2434 0.3804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19491 5972SOL HW219489 1.779 5.864 4.747 0.1037 -0.4833 -0.8329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19492 5973SOL OW19490 1.861 5.895 4.352 -0.2396 0.2034 -0.0606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19493 5973SOL HW119491 1.769 5.857 4.352 -0.5952 1.0230 -0.7249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19494 5973SOL HW219492 1.865 5.974 4.290 0.9713 0.0244 -0.2509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19495 5974SOL OW19493 2.408 6.682 4.771 -0.6839 0.2685 -0.0640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19496 5974SOL HW119494 2.381 6.645 4.860 -1.1885 -0.3228 -0.4490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19497 5974SOL HW219495 2.360 6.632 4.699 -0.0562 0.5472 -0.6825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19498 5975SOL OW19496 3.524 6.937 4.500 -0.7737 0.4646 0.0580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19499 5975SOL HW119497 3.442 6.898 4.541 -0.6586 0.7685 0.5837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19500 5975SOL HW219498 3.504 6.966 4.406 -0.9636 -0.4824 -0.2035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19501 5976SOL OW19499 3.082 6.305 4.194 -0.2224 0.2303 0.2514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19502 5976SOL HW119500 3.154 6.367 4.226 0.0257 -0.1471 0.4229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19503 5976SOL HW219501 2.994 6.334 4.231 -0.0711 0.3388 0.5235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19504 5977SOL OW19502 3.617 6.048 3.913 0.0870 0.2487 0.1359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19505 5977SOL HW119503 3.590 6.088 3.825 1.4041 -0.1311 -0.4782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19506 5977SOL HW219504 3.545 5.986 3.945 -0.2160 0.0301 -0.9196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19507 5978SOL OW19505 2.681 6.712 4.727 0.2562 0.3298 -0.2053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19508 5978SOL HW119506 2.587 6.680 4.741 -0.1912 0.6497 -2.1133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19509 5978SOL HW219507 2.682 6.812 4.730 0.5511 0.3234 -0.1267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19510 5979SOL OW19508 2.595 6.315 5.420 0.6409 0.1331 -0.2744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19511 5979SOL HW119509 2.626 6.276 5.507 0.0386 1.0397 0.3747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19512 5979SOL HW219510 2.577 6.413 5.433 -0.8516 -0.0123 -1.0411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19513 5980SOL OW19511 2.648 6.595 4.324 0.0243 0.1462 -0.5754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19514 5980SOL HW119512 2.740 6.608 4.360 -0.3432 0.3034 0.3492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19515 5980SOL HW219513 2.591 6.673 4.351 -0.3336 0.1311 -1.2825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19516 5981SOL OW19514 2.550 6.856 5.496 0.1722 -0.2209 0.5349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19517 5981SOL HW119515 2.569 6.854 5.594 -0.8284 2.2588 0.8769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19518 5981SOL HW219516 2.519 6.948 5.470 2.1189 -0.2495 -2.4639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19519 5982SOL OW19517 2.298 6.911 4.719 1.0415 -0.5346 -0.1417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19520 5982SOL HW119518 2.349 6.826 4.731 1.9130 -0.3025 -1.9845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19521 5982SOL HW219519 2.229 6.899 4.648 1.2592 0.3248 -0.5129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19522 5983SOL OW19520 3.108 7.007 5.172 0.0360 0.0249 0.3631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19523 5983SOL HW119521 3.202 7.038 5.167 0.5967 -1.4111 1.2541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19524 5983SOL HW219522 3.047 7.078 5.138 1.6043 -0.0495 -2.9395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19525 5984SOL OW19523 2.274 6.049 5.255 1.1634 0.0406 -0.3011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19526 5984SOL HW119524 2.348 5.991 5.289 0.6332 0.1880 1.2082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19527 5984SOL HW219525 2.196 6.043 5.318 0.5120 1.1701 -0.9654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19528 5985SOL OW19526 3.546 5.814 4.477 0.4708 -0.2265 -0.0724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19529 5985SOL HW119527 3.512 5.879 4.410 -0.8980 -1.7757 -0.9529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19530 5985SOL HW219528 3.532 5.851 4.569 0.3250 0.9639 -0.5510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19531 5986SOL OW19529 2.815 6.909 5.396 -0.3681 0.0050 -0.1948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19532 5986SOL HW119530 2.720 6.889 5.416 -0.3600 -0.7117 -0.8440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19533 5986SOL HW219531 2.856 6.834 5.345 1.0525 -0.5302 1.5789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19534 5987SOL OW19532 2.078 0.074 4.191 -0.1040 0.1264 0.2118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19535 5987SOL HW119533 2.134 0.119 4.261 1.8645 -2.1727 0.2525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19536 5987SOL HW219534 1.995 0.037 4.232 -0.3924 1.3037 0.7087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19537 5988SOL OW19535 2.247 6.609 4.553 0.1012 -0.2419 1.2071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19538 5988SOL HW119536 2.277 6.514 4.553 1.7056 0.2175 -0.1047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19539 5988SOL HW219537 2.153 6.614 4.585 -0.5628 -2.4323 -0.1725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19540 5989SOL OW19538 2.471 6.721 3.925 0.6601 0.0085 -0.3495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19541 5989SOL HW119539 2.468 6.682 3.833 0.8203 -1.7590 0.3578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19542 5989SOL HW219540 2.549 6.683 3.975 -0.1198 0.0095 0.9062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19543 5990SOL OW19541 3.299 5.978 4.900 0.1046 0.3602 0.2086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19544 5990SOL HW119542 3.206 6.011 4.884 -0.8170 -1.9004 0.5578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19545 5990SOL HW219543 3.320 5.981 4.997 0.4111 0.8767 0.1292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19546 5991SOL OW19544 1.730 6.335 4.352 -0.1766 0.0866 0.5654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19547 5991SOL HW119545 1.692 6.243 4.348 1.3361 -0.5321 -1.4827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19548 5991SOL HW219546 1.825 6.331 4.382 0.0457 0.8948 0.0230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19549 5992SOL OW19547 1.357 7.218 3.656 0.0865 0.1742 0.1421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19550 5992SOL HW119548 1.416 7.177 3.726 -2.7276 -3.1174 0.8493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19551 5992SOL HW219549 1.294 7.282 3.700 0.5693 0.7512 0.0009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19552 5993SOL OW19550 3.567 6.241 4.519 0.3764 0.8280 0.2692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19553 5993SOL HW119551 3.585 6.197 4.607 -0.6186 -1.2185 -0.4910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19554 5993SOL HW219552 3.654 6.273 4.480 1.1845 -0.5353 0.8533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19555 5994SOL OW19553 3.754 6.549 4.275 -0.2470 0.2580 -0.2351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19556 5994SOL HW119554 3.761 6.461 4.323 -1.4018 0.8274 1.0431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19557 5994SOL HW219555 3.785 6.622 4.335 -0.2621 0.8330 -0.9193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19558 5995SOL OW19556 1.971 6.474 5.186 0.1409 0.1814 -0.2447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19559 5995SOL HW119557 2.040 6.454 5.256 0.7242 3.5419 0.3268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19560 5995SOL HW219558 1.880 6.456 5.222 0.5491 -1.3789 0.0918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19561 5996SOL OW19559 2.663 7.023 4.393 0.3606 -0.2642 -0.0039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19562 5996SOL HW119560 2.579 6.969 4.385 1.3455 -1.6208 -2.1197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19563 5996SOL HW219561 2.689 7.058 4.303 0.7568 2.2842 1.0210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19564 5997SOL OW19562 2.908 6.687 5.274 -0.0155 0.0213 0.1733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19565 5997SOL HW119563 2.894 6.588 5.279 0.3126 0.0131 1.1414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19566 5997SOL HW219564 3.006 6.706 5.281 -0.2117 0.5072 1.8247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19567 5998SOL OW19565 2.585 5.743 4.086 -0.1393 0.2919 0.2685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19568 5998SOL HW119566 2.647 5.820 4.067 0.1837 -0.0218 0.0520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19569 5998SOL HW219567 2.528 5.766 4.164 1.2416 0.0094 1.4011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19570 5999SOL OW19568 2.334 6.589 5.023 0.4716 -0.2016 0.3841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19571 5999SOL HW119569 2.349 6.509 5.080 -0.7879 -1.3711 -0.8625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19572 5999SOL HW219570 2.268 6.650 5.067 0.9970 -0.1197 1.0697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19573 6000SOL OW19571 3.489 6.429 3.943 0.3700 0.3481 0.4776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19574 6000SOL HW119572 3.396 6.429 3.906 0.1491 -0.4433 0.9955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19575 6000SOL HW219573 3.486 6.463 4.037 0.6904 0.8641 0.3011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19576 6001SOL OW19574 2.069 5.994 5.448 -0.1691 0.5443 -0.3087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19577 6001SOL HW119575 2.134 6.058 5.489 0.5058 0.7702 -1.6623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19578 6001SOL HW219576 1.995 5.975 5.513 0.0755 2.0054 0.4465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19579 6002SOL OW19577 3.293 6.829 4.595 0.4085 0.1154 -0.7967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19580 6002SOL HW119578 3.198 6.862 4.597 0.4124 0.1146 -0.6519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19581 6002SOL HW219579 3.293 6.729 4.587 0.3666 -0.2149 2.3882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19582 6003SOL OW19580 2.486 6.344 4.064 -0.0112 -0.3575 0.0220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19583 6003SOL HW119581 2.543 6.417 4.028 -0.7592 0.2043 -0.0361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19584 6003SOL HW219582 2.456 6.367 4.157 -0.1720 -0.6345 0.0422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19585 6004SOL OW19583 3.031 5.925 4.454 0.3731 0.2300 -0.7887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19586 6004SOL HW119584 2.940 5.888 4.435 -0.3246 1.8239 -0.7472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19587 6004SOL HW219585 3.097 5.850 4.457 -0.8786 -0.9437 -1.0823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19588 6005SOL OW19586 3.618 6.908 3.972 0.1170 -0.8090 0.0652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19589 6005SOL HW119587 3.695 6.843 3.976 0.4116 -0.6208 -1.7966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19590 6005SOL HW219588 3.545 6.869 3.917 -0.4308 -0.2627 0.3931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19591 6006SOL OW19589 2.832 6.131 4.962 -0.0280 -0.3161 -0.7352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19592 6006SOL HW119590 2.795 6.166 5.049 1.3148 -0.3914 -0.1052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19593 6006SOL HW219591 2.759 6.085 4.911 -1.6462 2.4295 -1.1327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19594 6007SOL OW19592 3.385 5.985 5.150 0.3613 0.4710 -0.2117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19595 6007SOL HW119593 3.484 5.996 5.137 0.0761 1.2326 -2.0632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19596 6007SOL HW219594 3.369 5.915 5.220 2.1932 1.1762 0.9903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19597 6008SOL OW19595 2.681 6.480 5.125 -0.1861 0.1983 -0.4880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19598 6008SOL HW119596 2.746 6.412 5.159 0.7960 0.4749 -1.7619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19599 6008SOL HW219597 2.724 6.536 5.054 -1.8172 0.3775 -1.3908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19600 6009SOL OW19598 2.788 5.815 4.796 -0.5389 -0.1607 0.6451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19601 6009SOL HW119599 2.729 5.895 4.781 1.4893 1.2834 0.0316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19602 6009SOL HW219600 2.772 5.748 4.723 -0.0993 1.0378 -0.5797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19603 6010SOL OW19601 3.092 6.213 3.936 -0.0394 -0.1537 -0.4285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19604 6010SOL HW119602 3.097 6.232 4.034 -0.2127 1.5463 -0.7254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19605 6010SOL HW219603 3.032 6.134 3.921 0.9583 -1.2176 0.8915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19606 6011SOL OW19604 1.992 6.326 4.438 -0.2852 -0.6375 -0.2188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19607 6011SOL HW119605 2.048 6.249 4.468 0.2056 -0.2783 -0.2047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19608 6011SOL HW219606 2.051 6.403 4.413 -0.7927 -0.0010 0.4876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19609 6012SOL OW19607 2.057 7.154 5.646 0.6029 0.4868 0.0071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19610 6012SOL HW119608 2.025 7.187 5.558 1.5541 1.2846 -0.0558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19611 6012SOL HW219609 2.138 7.097 5.634 1.1750 1.1948 0.4051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19612 6013SOL OW19610 3.467 6.053 5.451 0.5704 0.3302 -0.2339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19613 6013SOL HW119611 3.448 6.148 5.425 -0.4689 -0.0360 -0.8881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19614 6013SOL HW219612 3.526 6.011 5.383 1.7364 0.7329 0.4951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19615 6014SOL OW19613 3.494 6.580 4.200 -0.3916 -0.2736 0.1437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19616 6014SOL HW119614 3.572 6.590 4.263 0.3572 0.9919 -0.9525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19617 6014SOL HW219615 3.453 6.669 4.184 -1.1592 -0.7296 -0.4523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19618 6015SOL OW19616 2.241 5.847 4.626 0.5005 0.9283 0.1066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19619 6015SOL HW119617 2.264 5.862 4.723 1.7168 -2.9210 0.5826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19620 6015SOL HW219618 2.147 5.814 4.619 0.9413 -0.4363 0.2516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19621 6016SOL OW19619 3.066 7.052 4.111 0.0181 -0.2947 -0.4932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19622 6016SOL HW119620 3.118 7.135 4.090 1.9812 -1.1633 0.6968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19623 6016SOL HW219621 3.085 7.024 4.205 -4.5337 0.6805 1.0262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19624 6017SOL OW19622 2.577 0.105 4.664 0.0892 0.1510 0.8445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19625 6017SOL HW119623 2.545 0.011 4.678 0.7581 -0.0793 0.8657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19626 6017SOL HW219624 2.557 0.159 4.746 0.5501 -0.2208 1.2127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19627 6018SOL OW19625 3.770 6.617 4.659 -0.2873 -0.1016 0.5466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19628 6018SOL HW119626 3.774 6.675 4.578 0.2499 0.4757 0.9834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19629 6018SOL HW219627 3.674 6.601 4.684 -0.4404 0.7387 0.5241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19630 6019SOL OW19628 3.083 0.055 5.407 0.4168 -0.4970 -0.1939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19631 6019SOL HW119629 3.052 0.095 5.321 -0.4104 -0.4534 0.1194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19632 6019SOL HW219630 3.006 0.011 5.453 0.5106 0.7915 1.2548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19633 6020SOL OW19631 2.205 6.683 4.112 -0.1367 0.2998 -0.1210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19634 6020SOL HW119632 2.259 6.664 4.030 0.2030 -0.1818 0.2095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19635 6020SOL HW219633 2.202 6.602 4.170 1.7943 1.3649 1.5826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19636 6021SOL OW19634 3.307 6.244 4.438 0.0593 -0.0919 -0.1610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19637 6021SOL HW119635 3.253 6.203 4.511 0.0332 -1.5023 -0.9153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19638 6021SOL HW219636 3.404 6.243 4.463 -0.1868 2.3427 1.1466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19639 6022SOL OW19637 2.230 6.961 5.565 -0.7203 0.4866 0.2365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19640 6022SOL HW119638 2.199 6.977 5.471 1.2371 2.3362 -0.1917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19641 6022SOL HW219639 2.254 6.865 5.576 -2.2221 -0.0423 -0.7320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19642 6023SOL OW19640 1.891 5.877 5.268 0.4969 0.2559 0.1451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19643 6023SOL HW119641 1.895 5.780 5.294 -0.8070 0.4142 1.0199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19644 6023SOL HW219642 1.951 5.930 5.328 0.4956 0.1169 0.2690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19645 6024SOL OW19643 3.605 6.854 3.616 -0.0862 -0.2485 0.1568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19646 6024SOL HW119644 3.609 6.863 3.516 -1.4644 0.5519 0.1351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19647 6024SOL HW219645 3.521 6.807 3.642 0.8931 -1.6457 0.9123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19648 6025SOL OW19646 2.145 6.465 4.247 0.3192 -0.2081 -0.1612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19649 6025SOL HW119647 2.201 6.396 4.294 1.2142 0.4510 -0.2349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19650 6025SOL HW219648 2.082 6.419 4.184 0.0891 -1.0190 0.6474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19651 6026SOL OW19649 3.259 5.804 5.312 -1.1067 0.5630 -0.2226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19652 6026SOL HW119650 3.250 5.775 5.407 -1.1309 -0.1994 -0.4461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19653 6026SOL HW219651 3.200 5.747 5.254 0.1812 -0.1342 -0.9051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19654 6027SOL OW19652 2.475 5.921 5.395 -0.0615 0.5475 0.1673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19655 6027SOL HW119653 2.553 5.871 5.358 -0.9444 -0.4048 -0.4647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19656 6027SOL HW219654 2.478 5.918 5.495 -0.0136 -0.6407 0.1397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19657 6028SOL OW19655 2.729 7.181 4.912 0.2222 0.1953 -0.1310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19658 6028SOL HW119656 2.633 7.176 4.886 -0.2254 -1.6566 1.6536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19659 6028SOL HW219657 2.780 7.111 4.862 0.1688 -0.4252 0.6615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19660 6029SOL OW19658 3.186 6.199 5.067 -0.5122 -0.3058 -0.0694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19661 6029SOL HW119659 3.263 6.143 5.096 -1.4981 -1.6127 0.1348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19662 6029SOL HW219660 3.212 6.296 5.068 0.9032 -0.6716 0.6038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19663 6030SOL OW19661 2.722 6.981 4.706 -0.0960 0.3886 0.1621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19664 6030SOL HW119662 2.812 6.978 4.664 -0.8633 -3.5551 -1.6429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19665 6030SOL HW219663 2.656 7.021 4.643 -0.0651 1.0754 0.5481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19666 6031SOL OW19664 2.809 6.179 4.372 0.6212 0.1722 -0.2237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19667 6031SOL HW119665 2.757 6.187 4.287 -2.1077 -2.0359 1.0818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19668 6031SOL HW219666 2.828 6.083 4.390 2.1095 0.6902 1.1441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19669 6032SOL OW19667 2.349 5.882 4.231 -0.0720 -0.1344 -0.2648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19670 6032SOL HW119668 2.385 5.907 4.321 -0.6503 -2.0465 0.5599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19671 6032SOL HW219669 2.304 5.961 4.189 -0.9664 0.4714 1.7132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19672 6033SOL OW19670 3.446 6.625 3.643 0.2836 0.0759 0.3382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19673 6033SOL HW119671 3.516 6.553 3.641 0.3125 -0.0876 3.4546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19674 6033SOL HW219672 3.448 6.671 3.731 -2.4562 1.2154 -0.1079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19675 6034SOL OW19673 2.240 5.608 3.854 -0.0619 -0.0641 -0.0315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19676 6034SOL HW119674 2.159 5.557 3.822 -0.4191 0.5208 -0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19677 6034SOL HW219675 2.216 5.704 3.865 0.3324 -0.0810 1.0515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19678 6035SOL OW19676 2.696 5.947 3.979 0.1714 -0.1792 -0.1289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19679 6035SOL HW119677 2.647 6.015 3.924 1.6299 2.0098 1.1272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19680 6035SOL HW219678 2.794 5.955 3.962 0.4763 -0.9939 1.1316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19681 6036SOL OW19679 2.944 6.410 5.313 -0.0499 -0.2435 0.1409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19682 6036SOL HW119680 2.922 6.312 5.316 -1.1529 0.0049 0.9801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19683 6036SOL HW219681 3.041 6.423 5.331 -0.2671 -1.0830 2.3171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19684 6037SOL OW19682 3.111 7.055 4.388 0.3361 0.3574 0.3846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19685 6037SOL HW119683 3.027 7.109 4.394 0.4526 0.8770 -1.8341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19686 6037SOL HW219684 3.190 7.116 4.382 0.7320 -0.1152 0.6609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19687 6038SOL OW19685 2.479 6.800 4.413 0.0242 -0.3921 0.2925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19688 6038SOL HW119686 2.458 6.747 4.495 -0.8674 -0.7199 -0.1330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19689 6038SOL HW219687 2.397 6.807 4.356 0.5431 0.1164 -0.4105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19690 6039SOL OW19688 2.849 6.097 3.682 0.6292 0.1361 -0.2093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19691 6039SOL HW119689 2.827 6.189 3.713 0.6456 0.0785 -0.0293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19692 6039SOL HW219690 2.880 6.042 3.759 0.7668 0.0243 -0.3452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19693 6040SOL OW19691 1.925 6.315 4.961 0.2281 -0.0005 -0.4523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19694 6040SOL HW119692 1.990 6.240 4.974 0.5443 0.3979 0.3586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19695 6040SOL HW219693 1.938 6.383 5.033 -1.1676 0.0280 -0.1846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19696 6041SOL OW19694 2.287 5.904 4.873 -1.0365 0.2858 0.7862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19697 6041SOL HW119695 2.332 5.972 4.931 -2.6113 1.7702 0.3665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19698 6041SOL HW219696 2.216 5.857 4.926 -2.0018 1.1478 0.2906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19699 6042SOL OW19697 2.686 6.164 4.141 -0.0624 0.1893 -0.2195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19700 6042SOL HW119698 2.615 6.208 4.086 -0.8404 0.0264 0.6414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19701 6042SOL HW219699 2.703 6.072 4.105 -2.3366 -0.8832 1.2382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19702 6043SOL OW19700 2.880 5.667 4.313 -0.3481 0.7994 0.1527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19703 6043SOL HW119701 2.859 5.585 4.367 -0.1478 -0.2699 -1.3265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19704 6043SOL HW219702 2.977 5.665 4.289 -0.3334 1.5196 0.1493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19705 6044SOL OW19703 3.257 6.557 4.611 0.3450 0.5109 -0.0610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19706 6044SOL HW119704 3.232 6.472 4.657 0.6679 1.2372 1.5400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19707 6044SOL HW219705 3.235 6.550 4.514 1.0810 -1.6874 -0.1431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19708 6045SOL OW19706 3.169 6.093 4.613 -0.3524 -0.6936 -0.3092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19709 6045SOL HW119707 3.131 6.040 4.538 1.3547 0.2724 -1.9580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19710 6045SOL HW219708 3.134 6.058 4.700 -0.2591 -3.7035 -1.3518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19711 6046SOL OW19709 3.730 5.998 4.233 0.4275 0.3348 0.4000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19712 6046SOL HW119710 3.731 5.899 4.246 -1.3439 0.0419 -1.3292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19713 6046SOL HW219711 3.751 6.019 4.138 -0.2541 1.5623 0.5068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19714 6047SOL OW19712 2.436 6.985 3.965 0.7967 0.4584 0.2907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19715 6047SOL HW119713 2.347 7.016 4.000 -0.8470 -0.2281 -2.9194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19716 6047SOL HW219714 2.436 6.885 3.958 1.7177 0.4751 -0.0826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19717 6048SOL OW19715 3.802 6.793 4.450 -0.4327 0.0543 0.0603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19718 6048SOL HW119716 3.890 6.828 4.416 -0.4553 1.1975 1.0751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19719 6048SOL HW219717 3.747 6.870 4.483 -0.4886 -0.9268 2.4423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19720 6049SOL OW19718 3.303 6.050 3.698 0.4475 -0.3382 0.1391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19721 6049SOL HW119719 3.253 6.120 3.646 0.4961 1.0366 1.8439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19722 6049SOL HW219720 3.400 6.072 3.698 0.3958 -0.0647 1.1526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19723 6050SOL OW19721 2.314 5.900 3.921 -0.5953 -0.0709 0.2382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19724 6050SOL HW119722 2.319 5.984 3.976 0.7218 -0.0195 0.0751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19725 6050SOL HW219723 2.385 5.836 3.951 -0.6059 -0.5148 -0.6382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19726 6051SOL OW19724 3.391 6.753 5.180 0.0989 0.4813 -0.3226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19727 6051SOL HW119725 3.301 6.759 5.135 -0.4752 -1.4888 0.4410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19728 6051SOL HW219726 3.404 6.833 5.238 -2.1829 -0.1869 1.2675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19729 6052SOL OW19727 2.828 6.864 5.044 0.4712 -0.2090 -0.2015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19730 6052SOL HW119728 2.744 6.813 5.062 -1.0177 2.7369 2.1731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19731 6052SOL HW219729 2.887 6.859 5.124 1.9289 -1.0354 -1.2969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19732 6053SOL OW19730 3.434 6.959 5.354 -0.0092 -0.1192 0.4704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19733 6053SOL HW119731 3.386 7.044 5.332 0.5951 -0.0076 -0.4571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19734 6053SOL HW219732 3.521 6.955 5.305 0.3164 -0.9397 1.0768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19735 6054SOL OW19733 3.042 6.922 4.850 0.1911 -0.5450 0.3495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19736 6054SOL HW119734 2.961 6.904 4.907 -1.6828 2.3690 -1.1419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19737 6054SOL HW219735 3.025 6.891 4.757 0.4964 0.5842 -0.1065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19738 6055SOL OW19736 3.508 6.549 4.750 0.3078 0.2038 -0.1689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19739 6055SOL HW119737 3.517 6.616 4.824 0.2197 2.4283 -2.0571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19740 6055SOL HW219738 3.416 6.553 4.712 0.3137 -0.9996 -0.3610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19741 6056SOL OW19739 2.615 5.775 5.060 0.3579 0.4112 -0.0240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19742 6056SOL HW119740 2.565 5.740 4.980 -0.5253 1.4495 0.0584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19743 6056SOL HW219741 2.711 5.790 5.034 -0.0533 1.3550 -1.0953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19744 6057SOL OW19742 2.629 6.596 5.438 -0.0882 0.3842 0.2015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19745 6057SOL HW119743 2.598 6.690 5.450 0.9737 1.0492 -1.7256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19746 6057SOL HW219744 2.682 6.590 5.353 0.8461 -1.7118 0.8823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19747 6058SOL OW19745 2.673 6.533 4.045 0.0806 -0.5803 -0.0595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19748 6058SOL HW119746 2.666 6.522 4.144 -0.3896 0.1663 -0.0006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19749 6058SOL HW219747 2.735 6.608 4.024 2.6541 -2.6842 -0.4320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19750 6059SOL OW19748 2.371 6.253 4.923 0.0274 0.3044 -0.2262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19751 6059SOL HW119749 2.409 6.244 5.016 0.0580 -0.6729 -0.3200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19752 6059SOL HW219750 2.273 6.236 4.925 0.0934 -0.0996 -0.4334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19753 6060SOL OW19751 3.035 5.998 4.826 -0.6847 -0.4794 0.1839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19754 6060SOL HW119752 2.969 6.035 4.891 -0.5097 -2.3612 1.5236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19755 6060SOL HW219753 3.003 5.909 4.794 0.6614 -0.9078 -0.0282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19756 6061SOL OW19754 1.994 6.955 4.935 0.0087 0.3158 -0.2135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19757 6061SOL HW119755 1.976 7.013 4.855 -0.1519 1.4519 0.6288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19758 6061SOL HW219756 2.086 6.974 4.969 -0.8364 1.7243 1.3940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19759 6062SOL OW19757 2.267 6.875 4.282 -0.3387 0.4252 -0.3992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19760 6062SOL HW119758 2.259 6.962 4.233 1.5881 -0.0522 -1.6623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19761 6062SOL HW219759 2.217 6.805 4.232 0.0063 0.3413 -0.6289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19762 6063SOL OW19760 2.467 5.937 4.475 0.2668 -0.0503 -0.3499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19763 6063SOL HW119761 2.518 6.011 4.519 -0.7031 0.8455 -0.7128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19764 6063SOL HW219762 2.410 5.891 4.543 -0.7785 0.9533 -0.5088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19765 6064SOL OW19763 3.308 6.803 4.140 0.0860 -0.2455 0.1630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19766 6064SOL HW119764 3.353 6.886 4.175 2.0304 -0.9843 -0.4685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19767 6064SOL HW219765 3.209 6.820 4.133 0.4832 2.2226 -0.5200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19768 6065SOL OW19766 3.140 7.183 4.862 0.2499 0.0606 -0.4784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19769 6065SOL HW119767 3.095 7.224 4.941 -0.0158 0.4260 -0.8162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19770 6065SOL HW219768 3.098 7.094 4.842 0.1880 0.0571 -0.3321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19771 6066SOL OW19769 3.456 6.034 4.305 0.0942 -0.0142 -0.0559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19772 6066SOL HW119770 3.413 6.098 4.370 -0.3468 -0.2031 -0.1586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19773 6066SOL HW219771 3.551 6.061 4.290 0.1041 0.2279 0.4152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19774 6067SOL OW19772 2.263 7.003 4.979 -0.3874 -0.1756 0.1926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19775 6067SOL HW119773 2.271 6.975 4.883 -0.4246 1.4159 -0.3010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19776 6067SOL HW219774 2.345 7.054 5.005 -0.1919 -0.9639 1.1513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19777 6068SOL OW19775 2.295 6.404 5.400 -0.5161 0.1856 -0.0611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19778 6068SOL HW119776 2.252 6.336 5.340 -0.4186 0.4152 -0.3982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19779 6068SOL HW219777 2.335 6.359 5.479 0.4752 -0.2858 -0.8117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19780 6069SOL OW19778 3.407 6.321 5.408 0.0695 -0.3107 0.3848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19781 6069SOL HW119779 3.324 6.370 5.379 -0.2358 -1.9905 -1.8024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19782 6069SOL HW219780 3.487 6.364 5.367 -0.1119 -0.9997 -0.7365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19783 6070SOL OW19781 2.752 5.928 5.304 -0.5431 0.6846 -0.5814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19784 6070SOL HW119782 2.755 5.919 5.403 0.4193 1.4912 -0.5125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19785 6070SOL HW219783 2.842 5.905 5.266 -1.2050 -0.6635 -1.3749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19786 6071SOL OW19784 2.322 5.666 5.371 0.2596 0.4379 0.2702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19787 6071SOL HW119785 2.239 5.618 5.399 -0.3354 1.5229 0.3904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19788 6071SOL HW219786 2.339 5.743 5.432 1.1611 0.4372 0.0352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19789 6072SOL OW19787 2.545 6.365 4.745 -0.3556 -0.6054 -0.0572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19790 6072SOL HW119788 2.582 6.456 4.765 2.7561 -1.8891 0.7263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19791 6072SOL HW219789 2.487 6.336 4.821 2.3524 -0.9827 2.0309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19792 6073SOL OW19790 3.187 6.335 4.746 0.4492 -0.0471 0.1693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19793 6073SOL HW119791 3.089 6.339 4.763 0.4928 -2.2874 1.3980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19794 6073SOL HW219792 3.210 6.247 4.705 1.9439 0.5066 -0.2532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19795 6074SOL OW19793 2.959 5.951 3.958 0.5357 0.1134 -0.3639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19796 6074SOL HW119794 2.980 5.854 3.966 1.6666 0.3341 -0.4769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19797 6074SOL HW219795 3.004 6.002 4.032 0.5962 0.6380 -0.7509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19798 6075SOL OW19796 2.011 5.905 5.030 0.1204 0.2919 0.4600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19799 6075SOL HW119797 1.974 5.913 5.123 -1.8845 0.0785 -0.2731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19800 6075SOL HW219798 2.017 5.808 5.005 -0.3836 0.3794 -0.0156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19801 6076SOL OW19799 1.982 6.690 4.879 -0.2999 0.1339 -0.3760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19802 6076SOL HW119800 1.966 6.635 4.961 -2.5874 0.3152 -0.6282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19803 6076SOL HW219801 1.984 6.787 4.904 -3.7911 0.4169 -0.7501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19804 6077SOL OW19802 2.612 6.183 4.554 0.3495 0.4333 -0.0867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19805 6077SOL HW119803 2.685 6.200 4.488 1.0022 -2.9986 -0.4471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19806 6077SOL HW219804 2.606 6.260 4.618 3.2300 1.5202 -0.9660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19807 6078SOL OW19805 3.620 6.456 5.636 0.3965 0.3315 0.3278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19808 6078SOL HW119806 3.701 6.459 5.577 -0.2959 1.6658 -0.5884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19809 6078SOL HW219807 3.605 6.545 5.677 0.5261 -0.4325 2.1031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19810 6079SOL OW19808 1.778 5.569 4.305 -0.9833 -0.3378 0.3194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19811 6079SOL HW119809 1.720 5.651 4.305 -1.5330 -0.7101 -0.7320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19812 6079SOL HW219810 1.771 5.524 4.394 -2.6470 -0.5833 0.1095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19813 6080SOL OW19811 3.443 5.880 4.060 -0.5664 0.0881 0.3231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19814 6080SOL HW119812 3.467 5.791 4.100 -0.6833 0.1000 0.4176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19815 6080SOL HW219813 3.443 5.950 4.130 -0.7526 0.1117 0.3013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19816 6081SOL OW19814 2.909 6.371 4.532 -0.0309 0.1538 -0.3525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19817 6081SOL HW119815 2.908 6.330 4.623 0.0645 -0.6311 -0.6960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19818 6081SOL HW219816 2.884 6.302 4.464 -0.1880 0.7543 -0.9133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19819 6082SOL OW19817 2.558 7.126 5.499 0.0014 -0.0110 -0.5288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19820 6082SOL HW119818 2.474 7.166 5.463 0.1542 -0.7380 -1.7716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19821 6082SOL HW219819 2.637 7.180 5.470 -0.1115 3.3130 4.2157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19822 6083SOL OW19820 3.838 6.920 5.288 0.0858 0.4105 -0.1186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19823 6083SOL HW119821 3.908 6.990 5.273 -0.2148 0.9235 0.7964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19824 6083SOL HW219822 3.856 6.873 5.374 0.3969 -0.7940 -0.8158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19825 6084SOL OW19823 2.305 6.667 5.402 -0.4348 -0.3712 -0.1769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19826 6084SOL HW119824 2.385 6.697 5.455 -0.0213 0.1227 -1.0567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19827 6084SOL HW219825 2.299 6.567 5.405 2.1961 -0.7470 -2.7436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19828 6085SOL OW19826 3.250 5.852 3.890 -0.1175 -0.1483 0.1624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19829 6085SOL HW119827 3.228 5.928 3.829 -2.2569 0.7140 1.9029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19830 6085SOL HW219828 3.323 5.879 3.952 -0.1836 0.1204 0.1248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19831 6086SOL OW19829 3.178 6.238 3.547 -0.6885 0.7538 0.5734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19832 6086SOL HW119830 3.097 6.204 3.499 0.3280 -0.7584 -0.1374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19833 6086SOL HW219831 3.235 6.288 3.482 0.2324 -0.4800 0.4161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19834 6087SOL OW19832 2.994 6.867 4.585 0.2420 0.4590 -0.0422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19835 6087SOL HW119833 2.936 6.793 4.549 -0.8761 1.5913 -0.6476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19836 6087SOL HW219834 3.036 6.916 4.509 2.3138 -0.5425 0.3996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19837 6088SOL OW19835 2.318 6.355 4.560 0.0515 0.1189 0.3256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19838 6088SOL HW119836 2.406 6.341 4.605 0.3421 0.8287 -0.0264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19839 6088SOL HW219837 2.255 6.281 4.588 1.0982 -1.0644 -0.3361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19840 6089SOL OW19838 2.163 6.119 4.557 -0.4331 -0.0633 -0.2824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19841 6089SOL HW119839 2.181 6.033 4.604 3.4408 1.1030 0.6820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19842 6089SOL HW219840 2.197 6.114 4.463 0.8862 0.6993 0.1242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19843 6090SOL OW19841 3.048 5.984 5.217 -0.3480 0.2965 -0.4278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19844 6090SOL HW119842 3.081 6.065 5.169 0.5902 0.3074 0.1999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19845 6090SOL HW219843 3.124 5.941 5.266 -0.7035 -1.2901 -1.2053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19846 6091SOL OW19844 2.868 5.818 5.050 0.7029 -0.2457 0.5579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19847 6091SOL HW119845 2.936 5.886 5.074 1.5857 -1.1615 0.6914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19848 6091SOL HW219846 2.864 5.809 4.950 -1.0364 1.5972 0.3894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19849 6092SOL OW19847 1.935 6.970 4.000 -0.0472 0.1059 -0.2319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19850 6092SOL HW119848 1.881 7.055 3.997 -0.8349 -0.4165 -1.7559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19851 6092SOL HW219849 1.884 6.901 4.052 -0.0662 0.1416 -0.2030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19852 6093SOL OW19850 2.471 7.145 4.775 0.1318 0.1237 0.1202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19853 6093SOL HW119851 2.411 7.210 4.821 0.6018 0.4850 0.2316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19854 6093SOL HW219852 2.419 7.062 4.752 -0.7833 0.9867 -1.0719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19855 6094SOL OW19853 2.915 6.332 4.810 -0.0196 0.4729 0.3051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19856 6094SOL HW119854 2.884 6.414 4.858 0.7945 1.0222 -0.0835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19857 6094SOL HW219855 2.916 6.255 4.874 -2.1436 0.4060 0.3400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19858 6095SOL OW19856 1.798 6.387 4.730 -0.1923 0.1626 0.1880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19859 6095SOL HW119857 1.865 6.398 4.657 -1.2712 1.3433 -0.6586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19860 6095SOL HW219858 1.846 6.362 4.815 1.2748 0.6100 -0.4728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19861 6096SOL OW19859 1.984 6.337 5.554 -0.1292 0.3068 0.0676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19862 6096SOL HW119860 1.921 6.268 5.517 0.4549 0.7573 -1.8493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19863 6096SOL HW219861 1.959 6.427 5.519 -0.7490 1.0981 2.3822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19864 6097SOL OW19862 3.206 6.524 5.320 0.0999 -0.4168 -0.2026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19865 6097SOL HW119863 3.180 6.619 5.340 0.4243 -0.3461 -0.1051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19866 6097SOL HW219864 3.245 6.519 5.228 2.7923 0.0999 0.8174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19867 6098SOL OW19865 2.570 6.152 3.865 0.4528 -0.0866 0.3603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19868 6098SOL HW119866 2.618 6.212 3.800 2.3223 -0.2791 1.4830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19869 6098SOL HW219867 2.489 6.199 3.899 0.4165 0.7236 -0.7626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19870 6099SOL OW19868 3.503 5.915 4.716 0.2855 -0.1916 0.1706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19871 6099SOL HW119869 3.429 5.969 4.755 1.1939 0.2031 1.4057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19872 6099SOL HW219870 3.580 5.974 4.694 1.2056 -0.9245 1.3216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19873 6100SOL OW19871 1.898 6.858 5.231 0.1680 0.0516 0.7602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19874 6100SOL HW119872 1.983 6.821 5.194 0.4091 -0.1044 1.4705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19875 6100SOL HW219873 1.914 6.898 5.321 -0.8304 -1.5704 1.7222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19876 6101SOL OW19874 2.611 6.019 4.810 -0.1083 1.0359 0.5462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19877 6101SOL HW119875 2.536 6.037 4.873 -0.5876 0.0523 0.2928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19878 6101SOL HW219876 2.610 6.087 4.736 -0.2973 1.4634 0.9395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19879 6102SOL OW19877 2.303 6.142 4.035 -0.7865 0.0016 -0.1828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19880 6102SOL HW119878 2.367 6.216 4.057 0.2579 -0.3293 -1.9957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19881 6102SOL HW219879 2.228 6.179 3.980 -0.8638 -0.0970 -0.1440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19882 6103SOL OW19880 2.121 6.727 5.170 -0.3606 0.1958 -0.3618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19883 6103SOL HW119881 2.079 6.639 5.152 -1.9244 0.9877 -0.7996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19884 6103SOL HW219882 2.193 6.717 5.238 -0.6167 -1.3829 -0.2999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19885 6104SOL OW19883 3.244 6.689 4.892 0.1811 -0.0143 0.9043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19886 6104SOL HW119884 3.262 6.661 4.798 2.3400 0.3038 1.1690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19887 6104SOL HW219885 3.198 6.777 4.893 1.0695 0.4672 0.1508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19888 6105SOL OW19886 3.236 6.426 3.786 -0.2465 -0.3402 0.0796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19889 6105SOL HW119887 3.173 6.377 3.845 -0.8936 -0.8777 -1.0139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19890 6105SOL HW219888 3.247 6.376 3.700 -0.0422 0.8555 -0.6193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19891 6106SOL OW19889 3.574 7.095 5.043 -0.0040 0.0224 -0.3105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19892 6106SOL HW119890 3.504 7.076 4.975 1.9394 -1.8073 -1.9159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19893 6106SOL HW219891 3.532 7.140 5.122 -3.4009 -2.9142 -0.2117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19894 6107SOL OW19892 3.123 0.088 4.645 -0.4496 0.4015 -0.2378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19895 6107SOL HW119893 3.186 0.065 4.570 0.2370 1.0466 0.1288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19896 6107SOL HW219894 3.144 0.031 4.725 0.4332 1.3879 0.2575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19897 6108SOL OW19895 1.986 6.652 4.620 0.2204 -0.3827 0.1591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19898 6108SOL HW119896 1.970 6.653 4.719 0.8509 -1.8091 0.3006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19899 6108SOL HW219897 1.898 6.651 4.572 -0.0850 -0.3183 0.7076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19900 6109SOL OW19898 3.332 5.586 4.099 0.2255 -0.0568 0.3432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19901 6109SOL HW119899 3.405 5.582 4.031 0.6734 -0.7781 0.8600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19902 6109SOL HW219900 3.319 5.496 4.140 -0.4869 0.2235 0.7552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19903 6110SOL OW19901 3.521 7.025 4.219 0.1813 0.2486 -0.0657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19904 6110SOL HW119902 3.575 6.970 4.155 0.7648 0.8528 -0.1056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19905 6110SOL HW219903 3.466 7.091 4.167 0.2832 0.4097 0.0311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19906 6111SOL OW19904 1.892 0.006 5.419 0.3730 -0.6777 -0.2327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19907 6111SOL HW119905 1.856 0.099 5.408 1.3033 -0.3064 -0.2433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19908 6111SOL HW219906 1.873 -0.048 5.337 -0.5935 -0.6486 -0.0409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19909 6112SOL OW19907 3.255 6.480 4.293 0.2059 0.7165 -0.0920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19910 6112SOL HW119908 3.272 6.387 4.327 1.9443 1.1024 0.1724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19911 6112SOL HW219909 3.336 6.513 4.244 -0.3352 2.1527 -0.0642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19912 6113SOL OW19910 2.569 6.768 5.054 0.3725 0.2028 0.3172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19913 6113SOL HW119911 2.526 6.844 5.005 0.1249 -0.2345 -0.1477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19914 6113SOL HW219912 2.504 6.694 5.066 0.6370 0.0277 0.6991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19915 6114SOL OW19913 2.465 7.153 3.769 -0.0642 0.2262 -0.1253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19916 6114SOL HW119914 2.563 7.162 3.753 -0.3384 2.3687 -0.8256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19917 6114SOL HW219915 2.450 7.107 3.856 1.5347 -0.8012 -0.3462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19918 6115SOL OW19916 3.753 5.645 4.763 -0.2649 0.2097 0.1754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19919 6115SOL HW119917 3.760 5.570 4.830 0.9286 0.9089 0.8768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19920 6115SOL HW219918 3.716 5.609 4.677 0.0880 -1.1447 0.5571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19921 6116SOL OW19919 1.985 5.785 4.573 -0.1900 -0.3316 0.2440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19922 6116SOL HW119920 1.943 5.793 4.482 0.3588 -1.1412 -0.0821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19923 6116SOL HW219921 1.935 5.844 4.637 -2.0509 -1.4876 -0.0617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19924 6117SOL OW19922 3.038 6.898 3.571 -0.2666 0.4381 -0.9446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19925 6117SOL HW119923 3.056 6.814 3.623 1.5926 0.8520 -0.8535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19926 6117SOL HW219924 2.974 6.878 3.497 -3.1637 -0.1563 1.5072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19927 6118SOL OW19925 2.864 6.581 4.931 -0.1063 0.2676 0.2866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19928 6118SOL HW119926 2.824 6.664 4.895 -0.3878 -0.2481 -0.6141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19929 6118SOL HW219927 2.952 6.602 4.974 1.1132 0.7125 -2.2049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19930 6119SOL OW19928 2.780 6.757 3.937 0.2744 0.4105 0.1905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19931 6119SOL HW119929 2.867 6.805 3.929 0.0282 0.8293 -0.1106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19932 6119SOL HW219930 2.707 6.817 3.903 0.1255 -0.7283 -1.6547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19933 6120SOL OW19931 2.204 6.998 5.285 0.4089 0.4230 -0.1865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19934 6120SOL HW119932 2.286 6.942 5.273 0.8708 0.9734 0.3245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19935 6120SOL HW219933 2.178 7.038 5.197 -0.8231 -1.7668 -0.8991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19936 6121SOL OW19934 3.566 6.717 4.971 -0.0216 0.0111 -0.2871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19937 6121SOL HW119935 3.621 6.797 4.993 0.0159 -0.0951 0.0067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19938 6121SOL HW219936 3.501 6.700 5.045 -1.0253 0.6318 -0.9994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19939 6122SOL OW19937 3.024 6.655 4.301 -0.4996 -0.2514 -0.6944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19940 6122SOL HW119938 2.976 6.600 4.370 -1.2289 1.6020 0.3407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19941 6122SOL HW219939 3.121 6.629 4.300 -0.0754 0.8461 2.3519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19942 6123SOL OW19940 2.738 5.894 4.389 0.0048 0.1811 -0.1121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19943 6123SOL HW119941 2.773 5.802 4.370 -0.7892 -0.3982 1.1336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19944 6123SOL HW219942 2.643 5.888 4.420 0.3063 1.3106 1.1254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19945 6124SOL OW19943 2.658 7.115 4.100 -0.5503 -0.3606 -0.1464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19946 6124SOL HW119944 2.568 7.079 4.075 -0.9208 -0.1833 0.8685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19947 6124SOL HW219945 2.651 7.213 4.116 -0.1592 -0.3364 -0.1167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19948 6125SOL OW19946 3.665 6.036 5.153 -0.4282 -0.0414 0.1612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19949 6125SOL HW119947 3.719 6.084 5.084 0.7747 0.3329 1.3180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19950 6125SOL HW219948 3.659 5.939 5.130 -1.0620 0.2637 -1.0650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19951 6126SOL OW19949 2.209 7.099 4.088 0.6931 0.3324 -0.7372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19952 6126SOL HW119950 2.113 7.074 4.081 0.8497 -0.8837 0.8407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19953 6126SOL HW219951 2.217 7.194 4.118 -0.0904 -0.2387 1.4352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19954 6127SOL OW19952 1.951 6.596 5.442 -0.4936 0.2714 -0.3406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19955 6127SOL HW119953 1.860 6.591 5.484 0.7249 0.9127 2.6165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19956 6127SOL HW219954 1.951 6.664 5.369 -2.5108 -0.2039 -0.8330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19957 6128SOL OW19955 2.456 6.015 5.058 0.5055 -0.3588 -0.2931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19958 6128SOL HW119956 2.522 5.951 5.098 0.3296 -0.2139 0.2407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19959 6128SOL HW219957 2.405 6.060 5.132 0.0231 -0.2463 -0.6956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19960 6129SOL OW19958 1.732 6.138 3.626 -0.5296 0.3083 0.3286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19961 6129SOL HW119959 1.658 6.190 3.668 -0.2294 1.5003 -0.5511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19962 6129SOL HW219960 1.771 6.075 3.693 -0.8051 1.3382 1.5030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19963 6130SOL OW19961 3.281 6.460 5.041 0.7897 -0.2426 -0.2744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19964 6130SOL HW119962 3.254 6.532 4.978 0.2840 -1.0938 -1.0550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19965 6130SOL HW219963 3.359 6.410 5.003 0.7049 -0.5407 -0.0616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19966 6131SOL OW19964 1.957 5.852 3.715 0.2762 -0.1693 0.9107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19967 6131SOL HW119965 1.937 5.902 3.631 0.3296 0.5405 1.3048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19968 6131SOL HW219966 2.050 5.874 3.745 1.5820 -3.0427 -0.6482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19969 6132SOL OW19967 3.372 6.796 3.868 -0.0364 0.3658 0.1026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19970 6132SOL HW119968 3.279 6.772 3.841 -0.3367 1.3840 0.1860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19971 6132SOL HW219969 3.375 6.812 3.967 0.1573 0.6255 0.0548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19972 6133SOL OW19970 2.451 6.325 5.171 0.5176 0.2436 -0.7060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19973 6133SOL HW119971 2.529 6.375 5.133 0.9606 -1.3291 -1.9787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19974 6133SOL HW219972 2.477 6.287 5.260 1.5464 -0.9970 -1.4999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19975 6134SOL OW19973 3.309 0.031 4.445 0.0856 -0.3180 -0.2662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19976 6134SOL HW119974 3.344 0.110 4.496 0.8976 -2.0997 2.1040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19977 6134SOL HW219975 3.375 0.004 4.375 0.4198 0.2764 -0.1866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19978 6135SOL OW19976 2.802 6.191 5.247 -0.0729 -0.3647 0.1835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19979 6135SOL HW119977 2.711 6.220 5.277 -0.0876 1.4552 -1.4124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19980 6135SOL HW219978 2.811 6.093 5.260 -1.3309 -0.2463 2.6831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19981 6136SOL OW19979 3.129 6.799 5.379 0.0705 0.0997 -0.4179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19982 6136SOL HW119980 3.145 6.831 5.472 -0.2599 0.3092 -0.4304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19983 6136SOL HW219981 3.114 6.878 5.319 -0.9115 -0.0694 -0.4214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19984 6137SOL OW19982 3.585 6.378 5.005 0.3254 0.1588 -0.2629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19985 6137SOL HW119983 3.657 6.309 5.013 -2.7611 -3.2695 0.7928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19986 6137SOL HW219984 3.592 6.423 4.916 3.2460 -0.5647 -0.4958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19987 6138SOL OW19985 2.809 5.570 4.038 -0.2428 -0.4558 0.3488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19988 6138SOL HW119986 2.906 5.595 4.038 -0.1702 -0.6507 -0.9006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19989 6138SOL HW219987 2.757 5.637 4.090 0.1352 1.5046 -1.6353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19990 6139SOL OW19988 2.446 6.393 4.326 -0.1916 -0.1473 -0.3536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19991 6139SOL HW119989 2.523 6.456 4.337 -1.0470 0.9390 -0.4364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19992 6139SOL HW219990 2.393 6.388 4.411 -0.5113 -0.2442 -0.5538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19993 6140SOL OW19991 3.528 5.740 5.420 0.6584 -0.5138 0.3139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19994 6140SOL HW119992 3.523 5.662 5.358 0.3058 -1.3349 1.3374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19995 6140SOL HW219993 3.453 5.735 5.486 0.1183 1.1687 -0.1224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19996 6141SOL OW19994 3.528 6.532 5.243 0.1401 -0.5887 0.3815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19997 6141SOL HW119995 3.491 6.624 5.238 1.3470 -0.0764 0.5962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19998 6141SOL HW219996 3.546 6.498 5.150 0.7498 -0.1658 0.3427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
19999 6142SOL OW19997 2.715 7.024 3.701 -0.2303 0.4013 -0.2280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20000 6142SOL HW119998 2.701 6.927 3.684 1.2751 0.0007 0.7082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20001 6142SOL HW219999 2.774 7.037 3.780 -1.8688 2.1284 0.8077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20002 6143SOL OW20000 2.867 6.621 4.537 0.6801 -0.4085 -0.1535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20003 6143SOL HW120001 2.896 6.525 4.546 1.7876 -0.0163 0.8960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20004 6143SOL HW220002 2.808 6.644 4.614 -1.8482 -0.9443 -1.8092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20005 6144SOL OW20003 3.143 6.684 3.810 0.5095 -0.5502 0.0172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20006 6144SOL HW120004 3.107 6.680 3.904 -1.4113 -1.4700 -0.7096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20007 6144SOL HW220005 3.176 6.593 3.783 0.7330 -0.3713 -0.3159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20008 6145SOL OW20006 3.638 7.089 4.701 -0.5509 0.4131 -0.1872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20009 6145SOL HW120007 3.593 7.073 4.613 -0.7670 2.2064 -0.4382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20010 6145SOL HW220008 3.580 7.056 4.775 -1.1022 0.3580 -0.6414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20011 6146SOL OW20009 2.591 6.761 5.745 0.2815 0.9317 0.1272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20012 6146SOL HW120010 2.538 6.686 5.786 1.5078 -0.5230 -0.8367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20013 6146SOL HW220011 2.621 6.823 5.817 -1.5765 1.0604 0.8436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20014 6147SOL OW20012 2.117 6.891 4.544 -0.4054 -0.0925 0.2762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20015 6147SOL HW120013 2.042 6.825 4.538 0.5353 -1.1849 0.1772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20016 6147SOL HW220014 2.173 6.885 4.461 0.6209 -0.3364 0.9677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20017 6148SOL OW20015 2.329 7.224 5.405 -0.0454 0.3641 0.2827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20018 6148SOL HW120016 2.278 7.157 5.351 0.6714 0.5096 -0.5990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20019 6148SOL HW220017 2.268 7.300 5.429 -0.3148 0.4281 -0.5681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20020 6149SOL OW20018 3.580 5.807 4.947 -0.4652 0.5833 -0.0636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20021 6149SOL HW120019 3.498 5.848 4.907 -0.5032 -0.5537 -1.2268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20022 6149SOL HW220020 3.626 5.750 4.878 0.3913 -0.1285 1.0548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20023 6150SOL OW20021 2.332 6.134 4.350 0.0739 0.0479 -0.0312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20024 6150SOL HW120022 2.387 6.215 4.328 -0.9156 1.3279 1.9000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20025 6150SOL HW220023 2.389 6.069 4.400 0.2575 0.7250 0.6743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20026 6151SOL OW20024 3.380 7.033 4.868 0.3049 0.3241 0.2837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20027 6151SOL HW120025 3.302 7.094 4.856 0.1517 -0.1627 -1.4245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20028 6151SOL HW220026 3.359 6.944 4.827 2.2044 0.5843 -1.3630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20029 6152SOL OW20027 2.146 6.140 5.035 -0.2197 0.1910 0.3032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20030 6152SOL HW120028 2.194 6.132 5.122 -0.2481 0.5318 0.3536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20031 6152SOL HW220029 2.093 6.057 5.018 0.7839 -0.4058 0.0007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20032 6153SOL OW20030 2.887 7.195 4.457 0.7258 -0.1167 -0.6986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20033 6153SOL HW120031 2.868 7.292 4.444 0.7012 -0.0376 -0.0364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20034 6153SOL HW220032 2.808 7.141 4.426 -1.3847 0.2887 3.2536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20035 6154SOL OW20033 3.230 5.755 4.539 -0.0534 0.3256 0.1830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20036 6154SOL HW120034 3.288 5.813 4.596 -0.0580 0.6532 -0.1488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20037 6154SOL HW220035 3.235 5.661 4.573 1.2354 0.2097 -0.2752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20038 6155SOL OW20036 2.796 5.616 4.631 0.5084 0.4710 0.3366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20039 6155SOL HW120037 2.810 5.556 4.553 -2.0239 0.4022 -0.1636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20040 6155SOL HW220038 2.836 5.575 4.713 -0.2075 -1.4034 -0.1974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20041 6156SOL OW20039 3.027 6.775 4.061 -0.3659 -0.6497 -0.1561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20042 6156SOL HW120040 3.006 6.709 4.134 0.6117 0.5383 1.2626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20043 6156SOL HW220041 3.002 6.867 4.092 1.2133 0.0296 -0.8207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20044 6157SOL OW20042 2.494 7.094 5.093 -0.6469 -0.0077 0.5494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20045 6157SOL HW120043 2.489 7.193 5.106 -0.2584 0.6606 -3.1649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20046 6157SOL HW220044 2.583 7.060 5.123 -0.4597 0.9036 1.0454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20047 6158SOL OW20045 3.044 6.047 4.197 -0.3787 0.7747 0.6523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20048 6158SOL HW120046 3.067 6.143 4.217 -0.0189 0.2265 3.2683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20049 6158SOL HW220047 3.011 6.003 4.281 0.7919 -1.7735 -0.1394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20050 6159SOL OW20048 3.547 5.552 4.540 0.1643 0.2365 0.8699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20051 6159SOL HW120049 3.513 5.495 4.465 0.3016 -0.6299 1.4584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20052 6159SOL HW220050 3.547 5.648 4.511 -2.3172 0.2396 0.6759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20053 6160SOL OW20051 1.909 6.663 4.059 -0.3618 0.0439 0.1228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20054 6160SOL HW120052 1.991 6.715 4.039 0.1627 -0.7820 0.0639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20055 6160SOL HW220053 1.934 6.572 4.092 -1.2427 -0.4869 -0.6013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20056 6161SOL OW20054 2.093 6.311 5.930 -0.5756 0.0137 0.2648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20057 6161SOL HW120055 2.087 6.224 5.980 0.5574 -0.0732 0.2726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20058 6161SOL HW220056 2.007 6.328 5.882 -0.8275 -1.0990 0.2973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20059 6162SOL OW20057 1.972 5.759 6.442 -0.3188 -0.0496 0.4459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20060 6162SOL HW120058 2.036 5.771 6.519 -0.1327 0.9700 0.1440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20061 6162SOL HW220059 1.951 5.662 6.432 1.2292 -0.4316 0.5309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20062 6163SOL OW20060 2.099 5.924 5.827 0.1257 -0.1000 -0.5312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20063 6163SOL HW120061 2.048 5.952 5.746 1.1510 2.3455 -0.4262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20064 6163SOL HW220062 2.044 5.942 5.909 0.6002 1.2608 -0.4926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20065 6164SOL OW20063 2.698 6.935 6.922 -0.1983 0.0521 0.3363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20066 6164SOL HW120064 2.616 6.902 6.876 0.4980 -0.9731 -0.2037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20067 6164SOL HW220065 2.673 7.008 6.986 -1.3003 0.9923 -1.0793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20068 6165SOL OW20066 3.389 6.901 6.203 0.2067 0.1214 -0.8062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20069 6165SOL HW120067 3.335 6.878 6.284 -0.3110 -1.1968 -1.4929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20070 6165SOL HW220068 3.354 6.985 6.161 1.3828 1.6523 1.1037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20071 6166SOL OW20069 3.020 6.182 6.109 -0.2538 -0.0585 -0.4296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20072 6166SOL HW120070 3.105 6.231 6.124 1.0556 -2.2912 -0.1487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20073 6166SOL HW220071 2.952 6.211 6.176 0.4985 1.2094 -0.1902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20074 6167SOL OW20072 3.603 6.196 5.654 0.0188 -0.0161 0.5691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20075 6167SOL HW120073 3.589 6.294 5.644 -0.8592 -0.1025 0.8401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20076 6167SOL HW220074 3.557 6.148 5.579 0.2398 -0.2354 0.5721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20077 6168SOL OW20075 2.904 6.917 6.726 -0.3902 -0.0698 0.3061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20078 6168SOL HW120076 2.842 6.929 6.804 -0.0658 1.7052 0.3190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20079 6168SOL HW220077 2.851 6.924 6.641 -0.0888 2.8776 0.2726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20080 6169SOL OW20078 2.688 6.160 7.225 0.1530 -0.1177 -0.1790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20081 6169SOL HW120079 2.707 6.253 7.256 -1.0230 0.3136 -0.7062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20082 6169SOL HW220080 2.744 6.141 7.144 0.7297 -0.0359 0.1920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20083 6170SOL OW20081 2.597 6.698 6.100 -0.0188 -0.0487 0.4778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20084 6170SOL HW120082 2.660 6.683 6.176 0.3770 -1.2675 -0.0678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20085 6170SOL HW220083 2.504 6.677 6.129 0.2955 -1.8179 0.2766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20086 6171SOL OW20084 2.457 6.847 6.820 -0.0611 0.6146 0.2257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20087 6171SOL HW120085 2.402 6.767 6.797 0.3142 0.6655 -0.9229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20088 6171SOL HW220086 2.400 6.915 6.867 -0.7280 0.2577 -0.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20089 6172SOL OW20087 3.304 6.906 7.031 0.2808 0.1449 0.3838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20090 6172SOL HW120088 3.316 6.997 7.070 -0.7680 -0.0605 1.2235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20091 6172SOL HW220089 3.279 6.841 7.103 0.6687 -0.7351 -0.2570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20092 6173SOL OW20090 2.266 5.907 7.028 0.1536 0.1447 -0.4513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20093 6173SOL HW120091 2.310 5.907 7.118 -0.0158 1.0273 -0.3626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20094 6173SOL HW220092 2.167 5.897 7.039 0.2189 -0.7676 -0.6000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20095 6174SOL OW20093 3.425 6.120 6.139 -0.3050 -0.1117 0.4537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20096 6174SOL HW120094 3.427 6.145 6.043 0.0144 -0.3050 0.4085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20097 6174SOL HW220095 3.394 6.198 6.194 1.9543 0.8592 0.4672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20098 6175SOL OW20096 2.016 7.004 6.259 -0.1659 0.6221 0.2665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20099 6175SOL HW120097 1.929 6.955 6.270 0.7027 -0.9486 0.5206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20100 6175SOL HW220098 2.075 6.984 6.337 1.3868 -0.4984 -1.1229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20101 6176SOL OW20099 2.312 6.511 6.454 -0.1676 -0.1667 -0.7634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20102 6176SOL HW120100 2.355 6.425 6.426 0.2003 -1.0529 2.1691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20103 6176SOL HW220101 2.213 6.497 6.463 -0.0579 -0.4386 0.1160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20104 6177SOL OW20102 2.478 6.507 5.714 -0.2534 0.3839 0.3387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20105 6177SOL HW120103 2.549 6.537 5.651 -0.0351 2.1503 1.3604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20106 6177SOL HW220104 2.518 6.486 5.803 -1.1471 3.6157 1.6515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20107 6178SOL OW20105 3.227 5.751 6.960 -0.5399 0.0655 0.2915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20108 6178SOL HW120106 3.160 5.822 6.938 1.7145 2.1547 -0.4606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20109 6178SOL HW220107 3.267 5.770 7.050 -0.0945 -0.4064 0.1968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20110 6179SOL OW20108 2.175 6.250 6.186 0.2903 0.2303 -0.3662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20111 6179SOL HW120109 2.131 6.302 6.113 -2.2110 -1.2002 -0.0055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20112 6179SOL HW220110 2.138 6.280 6.274 0.9033 -0.2335 0.0503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20113 6180SOL OW20111 1.805 7.088 5.728 -0.2600 0.2540 -0.1577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20114 6180SOL HW120112 1.895 7.105 5.689 -1.1911 1.5360 -1.8773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20115 6180SOL HW220113 1.797 6.992 5.755 1.1632 -0.1652 -1.1402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20116 6181SOL OW20114 3.462 6.450 6.060 0.0190 0.2836 -0.6164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20117 6181SOL HW120115 3.538 6.403 6.013 0.3024 -0.1259 0.2379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20118 6181SOL HW220116 3.489 6.545 6.078 -0.0355 0.4036 -1.1445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20119 6182SOL OW20117 3.537 6.712 6.066 -0.0689 -0.0565 0.0310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20120 6182SOL HW120118 3.635 6.717 6.083 0.0795 -1.6520 -0.1810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20121 6182SOL HW220119 3.492 6.791 6.107 0.8456 -1.2201 3.5898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20122 6183SOL OW20120 1.946 6.404 6.938 -0.0246 -0.4437 0.7642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20123 6183SOL HW120121 1.855 6.442 6.919 0.5565 1.4815 1.5571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20124 6183SOL HW220122 2.016 6.472 6.914 1.2952 -2.2647 -0.8022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20125 6184SOL OW20123 2.316 6.936 6.194 0.4823 -0.2165 -0.3500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20126 6184SOL HW120124 2.317 6.852 6.248 -0.6976 -0.5257 -0.8026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20127 6184SOL HW220125 2.224 6.974 6.192 0.7013 0.2835 -1.4101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20128 6185SOL OW20126 2.927 6.689 0.026 -0.6155 -0.2671 -0.5207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20129 6185SOL HW120127 3.022 6.721 0.026 -0.9312 0.7533 -1.8588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20130 6185SOL HW220128 2.926 6.590 0.007 0.2363 -0.6644 1.2758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20131 6186SOL OW20129 2.632 5.463 5.942 -0.0609 0.0615 -0.0548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20132 6186SOL HW120130 2.696 5.515 5.999 -1.4949 1.8056 0.0434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20133 6186SOL HW220131 2.539 5.496 5.958 -0.5332 0.7828 -3.4880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20134 6187SOL OW20132 2.084 6.642 6.891 -0.5749 -0.4021 -0.4330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20135 6187SOL HW120133 2.174 6.633 6.848 0.1549 2.6982 0.2102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20136 6187SOL HW220134 2.016 6.665 6.822 -0.6349 -1.4034 -0.7244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20137 6188SOL OW20135 3.471 6.656 5.771 0.4972 0.1522 0.4887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20138 6188SOL HW120136 3.410 6.577 5.774 0.0599 0.4788 0.3550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20139 6188SOL HW220137 3.504 6.676 5.863 0.1649 0.1513 0.6102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20140 6189SOL OW20138 2.197 5.704 0.010 -0.2805 -0.0944 -0.1296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20141 6189SOL HW120139 2.254 5.649 0.071 -0.8236 0.9950 1.4267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20142 6189SOL HW220140 2.149 5.643 -0.054 -2.8353 -1.8537 3.1399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20143 6190SOL OW20141 3.251 6.799 6.409 0.1169 0.2742 -0.0131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20144 6190SOL HW120142 3.170 6.857 6.410 -0.1479 -0.0868 1.0462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20145 6190SOL HW220143 3.224 6.703 6.407 0.5296 0.1651 -0.4703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20146 6191SOL OW20144 2.366 6.242 5.812 0.8195 0.3558 0.1571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20147 6191SOL HW120145 2.391 6.336 5.788 -1.5093 0.4081 -2.7177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20148 6191SOL HW220146 2.332 6.239 5.906 0.4714 2.5306 0.1498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20149 6192SOL OW20147 3.110 5.948 6.457 -0.5106 -0.1840 0.8528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20150 6192SOL HW120148 3.045 5.898 6.514 -2.2867 0.2498 -0.7068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20151 6192SOL HW220149 3.199 5.903 6.461 -1.2667 -1.6578 1.8954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20152 6193SOL OW20150 3.445 7.166 5.670 0.5760 0.1842 0.4382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20153 6193SOL HW120151 3.517 7.190 5.735 0.5563 0.8119 0.2411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20154 6193SOL HW220152 3.448 7.068 5.650 1.4581 0.2281 0.3309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20155 6194SOL OW20153 2.271 6.351 6.852 -0.0214 0.3285 -0.4566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20156 6194SOL HW120154 2.210 6.344 6.931 0.0687 -2.6111 -0.5463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20157 6194SOL HW220155 2.261 6.270 6.794 0.5619 1.9794 -3.0369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20158 6195SOL OW20156 2.790 6.214 6.961 -0.5501 -0.1120 -0.4813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20159 6195SOL HW120157 2.765 6.154 6.886 1.6706 -0.3811 -1.0678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20160 6195SOL HW220158 2.774 6.309 6.935 -0.0747 -0.2220 -1.1999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20161 6196SOL OW20159 2.949 5.823 6.650 -0.4439 0.0479 0.7209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20162 6196SOL HW120160 2.856 5.857 6.631 -0.3384 1.0229 1.8534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20163 6196SOL HW220161 2.950 5.723 6.639 -1.3222 0.1420 -0.4789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20164 6197SOL OW20162 2.864 6.221 5.892 -0.2949 -0.9482 -0.4166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20165 6197SOL HW120163 2.930 6.203 5.965 0.4508 -2.0132 -1.3247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20166 6197SOL HW220164 2.894 6.299 5.837 -1.2410 0.3502 0.8139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20167 6198SOL OW20165 1.812 6.171 6.197 0.4913 0.0315 -0.5174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20168 6198SOL HW120166 1.805 6.140 6.291 0.9865 1.3748 -0.0042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20169 6198SOL HW220167 1.813 6.271 6.195 0.3722 0.0326 -1.9624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20170 6199SOL OW20168 1.762 0.070 7.154 -0.1211 -0.1945 -0.6114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20171 6199SOL HW120169 1.770 -0.024 7.187 0.5576 -0.1086 -0.5383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20172 6199SOL HW220170 1.698 0.120 7.212 0.6013 -0.2262 0.2313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20173 6200SOL OW20171 2.532 5.772 5.690 -0.1081 -0.5055 0.5469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20174 6200SOL HW120172 2.618 5.808 5.654 1.1136 -2.2729 1.5123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20175 6200SOL HW220173 2.530 5.673 5.677 -1.6897 -0.5875 1.2002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20176 6201SOL OW20174 3.210 6.703 6.001 -0.3571 -0.4603 -0.3499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20177 6201SOL HW120175 3.250 6.783 6.044 -0.4749 -0.5852 0.0008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20178 6201SOL HW220176 3.195 6.720 5.904 2.0325 -0.9740 -0.8595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20179 6202SOL OW20177 2.428 5.555 6.508 -0.2349 -0.1624 0.1358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20180 6202SOL HW120178 2.472 5.587 6.592 2.3127 -1.8556 -0.4224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20181 6202SOL HW220179 2.445 5.620 6.434 -1.4108 0.7123 0.6033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20182 6203SOL OW20180 2.945 7.109 6.217 0.6586 0.3648 -0.5102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20183 6203SOL HW120181 3.023 7.156 6.259 -0.4861 0.0298 2.2416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20184 6203SOL HW220182 2.866 7.169 6.218 0.8606 0.8199 -3.5886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20185 6204SOL OW20183 2.183 6.978 6.463 0.1419 -0.3189 -0.5054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20186 6204SOL HW120184 2.255 6.912 6.484 -0.1063 -0.3780 0.2095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20187 6204SOL HW220185 2.223 7.066 6.438 0.4865 0.1137 1.4085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20188 6205SOL OW20186 3.512 6.438 6.419 -0.5210 0.2871 0.0230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20189 6205SOL HW120187 3.439 6.418 6.354 0.3785 -0.2126 -0.8633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20190 6205SOL HW220188 3.472 6.469 6.505 -1.7715 0.0230 -0.4351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20191 6206SOL OW20189 2.924 6.720 0.315 0.2020 -0.2526 -0.3169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20192 6206SOL HW120190 2.984 6.641 0.306 -2.8642 -2.9019 0.4833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20193 6206SOL HW220191 2.876 6.736 0.228 0.1760 0.1955 -0.2251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20194 6207SOL OW20192 2.224 6.541 5.800 1.1882 0.2018 0.3265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20195 6207SOL HW120193 2.307 6.530 5.746 1.1690 0.3659 0.2604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20196 6207SOL HW220194 2.187 6.452 5.824 1.4209 0.1271 0.4141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20197 6208SOL OW20195 3.284 6.293 6.301 0.2195 0.4716 -0.1070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20198 6208SOL HW120196 3.280 6.255 6.393 2.2235 0.8901 0.1906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20199 6208SOL HW220197 3.217 6.367 6.292 -1.3984 -0.8615 0.3351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20200 6209SOL OW20198 2.435 6.638 7.242 0.5589 -0.2710 -0.3487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20201 6209SOL HW120199 2.470 6.593 7.159 1.7862 1.0349 -0.5854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20202 6209SOL HW220200 2.347 6.680 7.222 1.0254 0.3689 -1.1411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20203 6210SOL OW20201 1.984 5.896 7.082 -0.0443 0.5358 0.0933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20204 6210SOL HW120202 1.946 5.946 7.160 1.1416 -0.6135 1.4660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20205 6210SOL HW220203 1.966 5.798 7.092 0.2336 0.3521 -1.0213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20206 6211SOL OW20204 3.439 6.916 5.623 0.0127 -0.2871 0.2873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20207 6211SOL HW120205 3.424 6.922 5.524 -0.7072 -0.0187 0.4079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20208 6211SOL HW220206 3.407 6.827 5.655 1.6865 -1.0209 0.0467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20209 6212SOL OW20207 3.385 5.668 5.870 0.9080 -0.0851 0.0129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20210 6212SOL HW120208 3.376 5.569 5.877 -1.0785 0.0562 -0.0109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20211 6212SOL HW220209 3.449 5.701 5.940 0.0263 -1.1983 1.4057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20212 6213SOL OW20210 2.354 6.119 6.057 0.0699 0.2599 -0.4868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20213 6213SOL HW120211 2.370 6.021 6.072 -0.7052 0.2421 0.3112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20214 6213SOL HW220212 2.278 6.149 6.115 0.6108 1.4364 -0.3669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20215 6214SOL OW20213 2.534 5.506 5.665 -0.6392 0.2941 0.3313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20216 6214SOL HW120214 2.564 5.495 5.760 0.6381 0.2105 -0.0568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20217 6214SOL HW220215 2.464 5.438 5.644 -2.5773 1.7291 1.8362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20218 6215SOL OW20216 2.438 5.887 7.239 0.6903 0.3156 -0.2140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20219 6215SOL HW120217 2.508 5.938 7.288 0.8437 -0.1872 0.0957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20220 6215SOL HW220218 2.366 5.858 7.303 0.1912 0.8241 -0.5420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20221 6216SOL OW20219 3.033 7.167 6.772 -0.0147 -0.8293 -0.3324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20222 6216SOL HW120220 2.993 7.082 6.737 -1.5133 -0.3420 0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20223 6216SOL HW220221 3.010 7.178 6.868 0.9414 -0.3065 -0.1495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20224 6217SOL OW20222 3.043 6.074 7.239 -0.5277 0.4149 0.4996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20225 6217SOL HW120223 3.137 6.061 7.268 -0.3489 -0.1079 -0.2732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20226 6217SOL HW220224 3.023 6.171 7.231 -0.0984 0.5284 0.8186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20227 6218SOL OW20225 2.769 6.963 6.497 0.0813 -0.3056 -0.5992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20228 6218SOL HW120226 2.842 6.945 6.431 0.7155 0.5997 -0.1724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20229 6218SOL HW220227 2.694 7.011 6.452 1.1306 1.6182 -0.4017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20230 6219SOL OW20228 2.777 5.971 6.272 -0.2302 0.6511 0.1288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20231 6219SOL HW120229 2.780 5.962 6.172 0.9007 -0.8016 0.2562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20232 6219SOL HW220230 2.829 5.896 6.314 0.0574 1.7273 1.7997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20233 6220SOL OW20231 2.382 5.548 5.968 -0.1345 0.0309 -0.3465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20234 6220SOL HW120232 2.319 5.535 6.044 0.2111 -0.1374 -0.0888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20235 6220SOL HW220233 2.377 5.644 5.937 -0.5479 0.0078 -0.3618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20236 6221SOL OW20234 3.173 6.733 5.692 0.4872 -0.0381 0.3441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20237 6221SOL HW120235 3.212 6.641 5.695 0.6166 -0.0055 -0.3478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20238 6221SOL HW220236 3.073 6.727 5.687 0.5591 -0.1876 -1.5649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20239 6222SOL OW20237 2.012 5.669 5.778 -0.9830 -0.5460 -0.2679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20240 6222SOL HW120238 2.052 5.746 5.727 -0.1432 -0.2833 0.7563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20241 6222SOL HW220239 2.068 5.587 5.765 -1.7044 -0.9201 -1.1052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20242 6223SOL OW20240 2.761 5.928 6.012 -0.1179 -0.7400 0.0534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20243 6223SOL HW120241 2.672 5.947 5.969 0.5737 1.9044 -0.3926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20244 6223SOL HW220242 2.834 5.966 5.955 1.2353 -1.7413 1.0563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20245 6224SOL OW20243 2.644 6.013 6.814 0.4054 -0.2898 -0.0034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20246 6224SOL HW120244 2.548 6.034 6.794 0.7411 1.0738 -0.2721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20247 6224SOL HW220245 2.655 5.914 6.821 -0.8121 -0.5386 -1.0853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20248 6225SOL OW20246 3.240 7.245 6.321 0.5156 0.5055 -0.1955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20249 6225SOL HW120247 3.254 7.341 6.297 -0.6364 0.8364 0.4024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20250 6225SOL HW220248 3.284 7.225 6.408 1.4115 0.2780 -0.6882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20251 6226SOL OW20249 2.347 6.651 6.211 0.1776 0.2806 -0.1925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20252 6226SOL HW120250 2.306 6.585 6.274 -0.7390 -0.2730 -1.3434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20253 6226SOL HW220251 2.281 6.678 6.142 1.7260 -0.7440 -2.2028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20254 6227SOL OW20252 2.760 5.935 5.564 0.5231 -0.5669 -0.0416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20255 6227SOL HW120253 2.701 6.014 5.577 0.5779 -0.4975 -0.2141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20256 6227SOL HW220254 2.830 5.934 5.635 1.7277 0.6310 -1.1579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20257 6228SOL OW20255 1.613 6.236 6.805 -0.0704 -0.1944 -0.0818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20258 6228SOL HW120256 1.570 6.292 6.875 1.7465 1.4041 -0.1873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20259 6228SOL HW220257 1.553 6.231 6.725 -1.7615 -1.3056 1.1747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20260 6229SOL OW20258 2.492 5.667 6.727 0.1216 -0.5496 -0.2722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20261 6229SOL HW120259 2.523 5.655 6.821 -0.5976 -0.7646 -0.0522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20262 6229SOL HW220260 2.429 5.744 6.722 -0.1139 -0.7562 -0.5089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20263 6230SOL OW20261 2.537 6.006 5.833 -0.3428 0.7533 -0.2173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20264 6230SOL HW120262 2.518 5.912 5.804 -0.2444 -0.1389 2.3669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20265 6230SOL HW220263 2.451 6.051 5.859 -0.2464 0.9370 -0.2096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20266 6231SOL OW20264 2.787 5.650 6.035 -0.4224 -0.2525 0.0872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20267 6231SOL HW120265 2.746 5.736 6.005 -0.0971 -0.4180 -0.8669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20268 6231SOL HW220266 2.794 5.650 6.135 -2.0006 0.0944 0.2272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20269 6232SOL OW20267 3.152 6.534 6.409 0.2287 0.1561 -0.0890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20270 6232SOL HW120268 3.093 6.481 6.470 1.1091 0.3803 0.9863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20271 6232SOL HW220269 3.102 6.556 6.326 -0.0097 -2.8053 -0.8335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20272 6233SOL OW20270 3.219 6.199 6.556 -0.3610 -0.4017 0.1164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20273 6233SOL HW120271 3.200 6.113 6.509 0.0401 0.5213 -1.8514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20274 6233SOL HW220272 3.242 6.181 6.651 2.0594 -2.7104 -0.8006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20275 6234SOL OW20273 3.703 6.372 5.946 0.8896 0.0502 0.6951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20276 6234SOL HW120274 3.774 6.305 5.969 -1.2069 -1.9961 1.6515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20277 6234SOL HW220275 3.692 6.377 5.847 1.5179 -0.5762 0.5865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20278 6235SOL OW20276 2.411 7.156 5.737 -0.0569 0.0918 0.2525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20279 6235SOL HW120277 2.340 7.096 5.776 -2.9289 1.6104 -2.1892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20280 6235SOL HW220278 2.436 7.122 5.646 -0.2104 1.4356 -0.3122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20281 6236SOL OW20279 3.655 6.978 6.250 0.2702 -0.4372 -0.2453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20282 6236SOL HW120280 3.713 6.903 6.219 -1.5563 -2.4470 0.8924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20283 6236SOL HW220281 3.561 6.962 6.221 -0.1052 1.7844 -0.4774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20284 6237SOL OW20282 3.267 5.984 5.630 -0.0273 -0.1775 0.1884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20285 6237SOL HW120283 3.221 5.895 5.636 -3.3971 1.1965 -2.1909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20286 6237SOL HW220284 3.355 5.973 5.585 -0.7239 -2.2343 -0.7981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20287 6238SOL OW20285 2.311 5.778 5.863 0.1071 0.2201 -0.0486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20288 6238SOL HW120286 2.365 5.778 5.779 -0.4065 -0.4789 -0.3925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20289 6238SOL HW220287 2.229 5.833 5.850 -0.0327 0.0137 -0.0489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20290 6239SOL OW20288 3.690 6.675 6.853 0.3781 -0.2488 0.0767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20291 6239SOL HW120289 3.757 6.604 6.833 0.4572 0.6485 -3.7413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20292 6239SOL HW220290 3.735 6.765 6.849 -0.6210 0.2483 -0.5114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20293 6240SOL OW20291 3.073 7.205 7.074 0.2487 0.0012 -0.4287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20294 6240SOL HW120292 3.170 7.182 7.087 0.1652 -1.5043 -2.1206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20295 6240SOL HW220293 3.018 7.161 7.145 0.6779 -0.0777 -0.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20296 6241SOL OW20294 3.261 0.169 0.001 -0.3579 0.5587 -0.9240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20297 6241SOL HW120295 3.246 0.255 -0.048 1.5297 0.4036 -1.8601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20298 6241SOL HW220296 3.288 0.098 -0.064 1.8583 0.2518 0.2564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20299 6242SOL OW20297 3.112 6.727 6.786 -0.0669 0.4934 -0.3392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20300 6242SOL HW120298 3.042 6.798 6.783 -0.1837 0.4830 1.2858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20301 6242SOL HW220299 3.202 6.768 6.775 -0.2201 0.7071 -0.8118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20302 6243SOL OW20300 3.364 6.541 6.619 0.2491 0.3830 -0.3826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20303 6243SOL HW120301 3.383 6.618 6.681 0.4108 -0.1879 0.2915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20304 6243SOL HW220302 3.281 6.561 6.566 0.0869 0.8723 0.0394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20305 6244SOL OW20303 2.771 5.781 6.910 -0.2395 -0.2204 0.7128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20306 6244SOL HW120304 2.814 5.692 6.899 -3.3679 -2.0819 2.1133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20307 6244SOL HW220305 2.818 5.832 6.983 0.3788 -1.5918 1.3000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20308 6245SOL OW20306 2.595 6.501 5.946 0.1422 0.0531 0.0090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20309 6245SOL HW120307 2.609 6.581 6.004 -2.7977 0.0299 0.9182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20310 6245SOL HW220308 2.595 6.418 6.002 -0.7908 -0.1675 -0.2950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20311 6246SOL OW20309 2.319 6.611 6.727 0.4516 -0.3554 0.4154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20312 6246SOL HW120310 2.331 6.515 6.750 0.9256 -0.5848 -0.7322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20313 6246SOL HW220311 2.351 6.628 6.634 0.7960 1.0040 0.7516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20314 6247SOL OW20312 3.057 5.959 6.876 -0.7750 -0.0046 0.7892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20315 6247SOL HW120313 2.981 6.001 6.927 -3.6326 -1.6423 -1.7682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20316 6247SOL HW220314 3.021 5.914 6.794 2.4667 -4.2380 1.3510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20317 6248SOL OW20315 1.849 6.871 6.859 -0.7018 -0.0026 -0.0135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20318 6248SOL HW120316 1.791 6.899 6.783 -0.8744 2.5946 0.9747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20319 6248SOL HW220317 1.930 6.930 6.863 0.6674 -1.8033 0.2702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20320 6249SOL OW20318 2.185 6.723 6.000 -0.2783 0.1306 0.1546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20321 6249SOL HW120319 2.191 6.813 5.957 -0.1929 0.7489 1.4224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20322 6249SOL HW220320 2.227 6.655 5.940 0.0216 0.9875 -0.6435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20323 6250SOL OW20321 2.486 5.763 6.318 -0.2584 -0.1361 0.2827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20324 6250SOL HW120322 2.427 5.788 6.241 0.7791 0.5068 -0.3315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20325 6250SOL HW220323 2.534 5.844 6.351 -0.1418 -0.5458 1.1446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20326 6251SOL OW20324 3.066 7.021 5.991 0.1626 0.0243 0.7666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20327 6251SOL HW120325 3.156 7.067 5.993 0.8392 -1.2754 1.1137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20328 6251SOL HW220326 3.008 7.059 6.063 0.3363 1.0318 0.4014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20329 6252SOL OW20327 3.278 7.023 6.771 0.5681 -0.5543 0.1464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20330 6252SOL HW120328 3.281 6.978 6.861 -0.6874 0.1514 0.5722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20331 6252SOL HW220329 3.214 7.099 6.775 1.7813 0.5635 -0.8838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20332 6253SOL OW20330 3.434 6.084 5.874 0.0793 0.4426 0.7137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20333 6253SOL HW120331 3.342 6.062 5.841 1.5911 -1.8804 -2.4286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20334 6253SOL HW220332 3.475 6.153 5.814 1.6148 -1.2109 -0.2109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20335 6254SOL OW20333 2.371 7.056 7.000 -0.1880 -0.5920 -0.4079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20336 6254SOL HW120334 2.366 7.147 6.959 0.0053 0.3305 1.5091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20337 6254SOL HW220335 2.454 7.048 7.055 1.0936 -2.8359 -2.4773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20338 6255SOL OW20336 2.272 6.269 7.197 0.2532 0.1243 -0.1602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20339 6255SOL HW120337 2.324 6.339 7.247 -0.8944 -0.4453 1.9373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20340 6255SOL HW220338 2.334 6.219 7.137 1.0481 3.1710 -2.0931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20341 6256SOL OW20339 3.588 6.431 0.022 0.5265 -0.1279 -0.9760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20342 6256SOL HW120340 3.533 6.472 0.095 2.2405 -0.4725 0.6022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20343 6256SOL HW220341 3.561 6.469 -0.066 -2.4227 -0.5303 -0.3536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20344 6257SOL OW20342 2.750 6.676 6.533 -0.7030 0.3828 -0.2016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20345 6257SOL HW120343 2.797 6.647 6.617 1.3677 1.1873 -1.0296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20346 6257SOL HW220344 2.717 6.770 6.545 2.6240 1.8216 -1.3641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20347 6258SOL OW20345 2.987 6.350 6.540 0.3354 0.2587 0.2130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20348 6258SOL HW120346 2.913 6.326 6.478 0.8693 2.2099 -1.2736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20349 6258SOL HW220347 3.057 6.278 6.538 -0.3536 -0.4171 -0.2441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20350 6259SOL OW20348 2.946 5.980 5.770 -0.4490 0.5612 0.2194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20351 6259SOL HW120349 3.040 5.947 5.784 -0.9289 0.2205 3.4267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20352 6259SOL HW220350 2.946 6.080 5.770 -0.0207 0.5735 -0.6548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20353 6260SOL OW20351 2.306 5.859 6.764 -0.2767 -0.3591 0.5222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20354 6260SOL HW120352 2.304 5.883 6.861 -2.1515 0.7480 0.2504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20355 6260SOL HW220353 2.224 5.806 6.741 0.2824 -0.8458 -0.4178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20356 6261SOL OW20354 1.809 6.607 6.834 -0.5535 0.2151 0.3302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20357 6261SOL HW120355 1.721 6.576 6.799 -0.8480 -0.2588 1.4610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20358 6261SOL HW220356 1.814 6.707 6.830 -0.9395 0.2186 -0.1795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20359 6262SOL OW20357 2.580 6.010 6.465 -0.1551 0.6069 0.3044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20360 6262SOL HW120358 2.634 6.007 6.380 1.1942 1.8757 1.0708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20361 6262SOL HW220359 2.540 6.101 6.475 -3.4004 -0.5677 -0.7489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20362 6263SOL OW20360 2.189 5.581 6.171 0.4480 0.2081 -0.2539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20363 6263SOL HW120361 2.133 5.663 6.161 1.9110 1.2747 -0.0660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20364 6263SOL HW220362 2.162 5.532 6.254 0.4840 1.2723 0.4011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20365 6264SOL OW20363 3.635 5.895 5.830 -0.7712 0.4075 -0.2254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20366 6264SOL HW120364 3.626 5.835 5.910 -1.2279 0.1689 -0.4581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20367 6264SOL HW220365 3.581 5.978 5.845 2.1402 2.2003 1.4131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20368 6265SOL OW20366 2.846 6.217 6.325 0.9535 0.2645 0.7680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20369 6265SOL HW120367 2.769 6.280 6.338 0.9209 0.4795 -0.3750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20370 6265SOL HW220368 2.810 6.125 6.310 0.8804 0.4685 -0.3741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20371 6266SOL OW20369 3.345 7.155 7.159 -0.2677 0.4727 0.8243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20372 6266SOL HW120370 3.444 7.166 7.151 0.0238 -1.8359 0.5861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20373 6266SOL HW220371 3.323 7.122 7.251 -0.9269 1.7347 1.1400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20374 6267SOL OW20372 3.291 5.704 5.617 0.0722 0.1282 0.1064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20375 6267SOL HW120373 3.224 5.630 5.606 -1.3463 1.5021 -1.0560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20376 6267SOL HW220374 3.301 5.725 5.714 -1.0654 -0.2393 0.3187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20377 6268SOL OW20375 3.293 6.249 5.655 -0.4722 -0.1630 0.6498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20378 6268SOL HW120376 3.269 6.152 5.643 -1.1865 0.1956 -0.9668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20379 6268SOL HW220377 3.339 6.283 5.573 0.7141 0.6205 1.6053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20380 6269SOL OW20378 2.978 6.886 6.344 0.2836 0.4409 0.1254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20381 6269SOL HW120379 2.985 6.793 6.308 -0.4649 -0.1470 1.4055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20382 6269SOL HW220380 2.965 6.950 6.269 -0.9583 -0.6961 -0.6829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20383 6270SOL OW20381 2.437 6.235 6.531 0.4757 -0.3525 0.8376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20384 6270SOL HW120382 2.487 6.296 6.592 -0.7692 1.8131 -0.2076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20385 6270SOL HW220383 2.344 6.222 6.566 0.1659 -0.1511 0.1090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20386 6271SOL OW20384 2.249 6.123 6.694 -0.5524 -0.1825 -0.9732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20387 6271SOL HW120385 2.293 6.033 6.693 -0.4232 -0.1198 -0.9422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20388 6271SOL HW220386 2.158 6.115 6.735 -0.6122 -0.3318 -1.1332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20389 6272SOL OW20387 2.848 5.914 7.130 -0.0350 0.2121 0.1449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20390 6272SOL HW120388 2.835 5.835 7.190 0.5391 -0.2836 -0.3674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20391 6272SOL HW220389 2.918 5.974 7.168 0.1008 0.0608 0.1360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20392 6273SOL OW20390 1.899 6.919 5.483 0.2973 0.6590 -0.4986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20393 6273SOL HW120391 1.809 6.901 5.523 1.1411 -2.4147 0.3100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20394 6273SOL HW220392 1.968 6.920 5.555 1.1537 1.2002 -1.2983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20395 6274SOL OW20393 2.391 6.794 6.446 -0.0464 0.3922 -0.1655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20396 6274SOL HW120394 2.381 6.696 6.428 -1.3803 0.1234 1.7724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20397 6274SOL HW220395 2.488 6.817 6.453 0.2755 -1.1974 1.2436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20398 6275SOL OW20396 2.555 6.447 6.650 -0.5830 0.4987 0.5977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20399 6275SOL HW120397 2.565 6.506 6.729 -1.9781 1.8519 -0.1936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20400 6275SOL HW220398 2.591 6.493 6.569 1.0784 -0.9698 0.4242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20401 6276SOL OW20399 1.836 6.005 6.411 -0.2489 0.6471 -0.3231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20402 6276SOL HW120400 1.850 5.906 6.416 1.8426 0.8816 -0.5073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20403 6276SOL HW220401 1.865 6.047 6.497 2.1772 1.3542 -1.3719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20404 6277SOL OW20402 2.685 6.184 5.663 0.5401 -0.0094 -0.1062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20405 6277SOL HW120403 2.647 6.152 5.750 1.1687 -0.2399 0.0861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20406 6277SOL HW220404 2.771 6.232 5.679 0.1478 0.8624 -0.5044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20407 6278SOL OW20405 3.272 6.116 6.800 -0.4650 -0.5556 -0.0624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20408 6278SOL HW120406 3.195 6.074 6.849 -0.2206 0.0214 0.8499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20409 6278SOL HW220407 3.343 6.048 6.785 0.4016 -0.2939 2.3888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20410 6279SOL OW20408 1.895 7.046 7.187 0.0684 0.1420 -0.1490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20411 6279SOL HW120409 1.924 7.096 7.268 0.2144 -1.9422 1.1443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20412 6279SOL HW220410 1.974 7.023 7.131 0.2752 -0.4725 0.3781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20413 6280SOL OW20411 2.700 5.780 6.550 0.2954 0.0345 0.0179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20414 6280SOL HW120412 2.629 5.716 6.580 -0.5269 0.7515 -0.3434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20415 6280SOL HW220413 2.660 5.871 6.539 0.9579 0.1737 -1.4938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20416 6281SOL OW20414 2.207 6.186 5.592 0.1847 0.0920 -0.1609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20417 6281SOL HW120415 2.146 6.265 5.589 1.3640 1.0632 0.3429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20418 6281SOL HW220416 2.270 6.196 5.669 2.5686 0.3431 -2.0252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20419 6282SOL OW20417 2.145 6.724 7.138 0.2825 -0.3791 -0.0951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20420 6282SOL HW120418 2.106 6.648 7.190 0.0684 -0.4786 -0.3959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20421 6282SOL HW220419 2.132 6.707 7.040 -1.6050 1.0097 -0.1401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20422 6283SOL OW20420 2.910 6.539 6.705 0.0360 -0.2445 -0.0509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20423 6283SOL HW120421 2.939 6.480 6.630 0.1767 -1.6854 1.1007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20424 6283SOL HW220422 2.988 6.592 6.738 0.3443 -0.8040 0.1275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20425 6284SOL OW20423 3.241 6.477 5.767 0.5842 -0.6010 0.5166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20426 6284SOL HW120424 3.217 6.472 5.864 -1.3623 0.7029 0.1844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20427 6284SOL HW220425 3.244 6.385 5.728 -0.7143 -1.0378 1.3847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20428 6285SOL OW20426 3.536 0.070 6.749 0.2261 -0.4111 0.6083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20429 6285SOL HW120427 3.610 0.122 6.708 1.0076 0.1009 2.5803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20430 6285SOL HW220428 3.550 -0.028 6.731 -0.4948 -0.1231 -1.8876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20431 6286SOL OW20429 3.348 7.164 6.549 0.7357 0.0778 -0.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20432 6286SOL HW120430 3.407 7.242 6.572 0.4499 0.0257 0.8150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20433 6286SOL HW220431 3.343 7.102 6.627 -0.3332 -0.0830 -0.3175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20434 6287SOL OW20432 2.056 6.378 6.446 -0.4240 0.2652 0.1387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20435 6287SOL HW120433 1.999 6.348 6.523 0.7908 -0.6677 0.7124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20436 6287SOL HW220434 2.000 6.386 6.364 -1.2958 -1.1759 0.5595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20437 6288SOL OW20435 3.642 5.688 6.001 -0.0655 0.0514 0.3426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20438 6288SOL HW120436 3.729 5.672 5.954 0.4529 1.8691 0.5840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20439 6288SOL HW220437 3.609 5.603 6.041 1.2881 -0.8010 -0.2851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20440 6289SOL OW20438 3.305 7.124 6.087 0.2465 -0.1977 -0.0391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20441 6289SOL HW120439 3.338 7.202 6.034 0.6176 0.0721 0.5731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20442 6289SOL HW220440 3.270 7.156 6.176 -0.5911 -0.6118 -0.2107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20443 6290SOL OW20441 3.197 6.436 6.058 0.2715 0.1076 -0.2655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20444 6290SOL HW120442 3.297 6.426 6.053 0.7542 3.1184 0.8765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20445 6290SOL HW220443 3.172 6.529 6.030 -1.8541 0.4049 2.2031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20446 6291SOL OW20444 2.819 6.690 7.039 -0.5478 -0.2937 0.0098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20447 6291SOL HW120445 2.858 6.719 7.126 -0.7452 -1.8000 0.6247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20448 6291SOL HW220446 2.763 6.764 7.001 -2.8252 -0.5185 2.5836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20449 6292SOL OW20447 2.828 0.031 5.820 0.5251 1.0458 -0.0294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20450 6292SOL HW120448 2.813 -0.066 5.838 0.7696 0.7811 -1.2298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20451 6292SOL HW220449 2.918 0.058 5.854 0.7235 0.6905 -0.2699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20452 6293SOL OW20450 3.550 5.666 6.285 -0.7682 0.0471 -0.3017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20453 6293SOL HW120451 3.555 5.584 6.229 -0.4597 0.2001 -0.5047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20454 6293SOL HW220452 3.472 5.721 6.257 0.3904 1.0140 -1.8432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20455 6294SOL OW20453 2.075 5.811 6.202 -0.3613 0.1324 0.1641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20456 6294SOL HW120454 2.037 5.878 6.137 0.8320 2.5055 1.7526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20457 6294SOL HW220455 2.018 5.810 6.285 -0.9372 -1.6548 -0.2032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20458 6295SOL OW20456 2.899 7.119 5.553 0.6757 -0.6786 0.8122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20459 6295SOL HW120457 2.863 7.117 5.646 -0.9983 -2.6908 0.1978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20460 6295SOL HW220458 2.877 7.033 5.507 0.2104 0.7700 -1.8804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20461 6296SOL OW20459 2.715 6.486 6.910 0.4076 0.6163 -0.2032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20462 6296SOL HW120460 2.793 6.478 6.848 0.7111 -0.0420 0.2467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20463 6296SOL HW220461 2.723 6.570 6.963 0.5355 0.8122 -0.5334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20464 6297SOL OW20462 2.591 6.259 6.073 -0.6237 0.4086 -0.2007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20465 6297SOL HW120463 2.671 6.224 6.025 -0.6975 0.3410 -0.2734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20466 6297SOL HW220464 2.510 6.205 6.049 -0.5221 -0.1216 0.5929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20467 6298SOL OW20465 2.114 6.971 7.062 -0.6829 0.6134 -0.3509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20468 6298SOL HW120466 2.207 7.006 7.055 -1.0718 1.5133 -1.3013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20469 6298SOL HW220467 2.117 6.873 7.081 0.4950 0.3717 -1.6190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20470 6299SOL OW20468 3.404 6.717 6.844 -0.1042 -0.2681 0.1858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20471 6299SOL HW120469 3.504 6.712 6.837 -0.0857 1.2475 -1.2820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20472 6299SOL HW220470 3.379 6.783 6.914 0.0130 1.7610 -1.5945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20473 6300SOL OW20471 3.012 6.657 6.214 0.1398 0.0383 -0.1123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20474 6300SOL HW120472 2.933 6.600 6.196 1.4904 -2.2815 0.8457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20475 6300SOL HW220473 3.073 6.657 6.134 0.2853 -0.1128 -0.0020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20476 6301SOL OW20474 2.797 5.652 6.302 -0.0203 -0.1774 0.1131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20477 6301SOL HW120475 2.770 5.703 6.384 -3.2556 1.2615 -1.6755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20478 6301SOL HW220476 2.787 5.554 6.320 0.3085 0.0471 1.7065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20479 6302SOL OW20477 2.498 7.169 6.013 -0.8727 0.1925 0.2641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20480 6302SOL HW120478 2.510 7.191 5.916 -1.9035 -1.6898 -0.3500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20481 6302SOL HW220479 2.414 7.211 6.047 0.6075 2.7806 1.0653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20482 6303SOL OW20480 3.611 5.856 6.936 -0.0209 0.3094 0.5229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20483 6303SOL HW120481 3.670 5.921 6.888 -0.0311 -1.3804 -1.9708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20484 6303SOL HW220482 3.525 5.846 6.887 0.3014 -2.1477 0.3407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20485 6304SOL OW20483 2.262 6.994 5.906 -0.1540 -0.3884 0.0255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20486 6304SOL HW120484 2.172 7.022 5.940 0.4720 2.2092 -0.2908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20487 6304SOL HW220485 2.331 7.007 5.977 0.1337 -1.6612 0.0177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20488 6305SOL OW20486 1.885 6.649 0.110 -0.0813 0.3033 -0.7195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20489 6305SOL HW120487 1.856 6.683 0.020 2.3757 1.0357 -1.3058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20490 6305SOL HW220488 1.963 6.588 0.099 0.9955 1.2915 0.9650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20491 6306SOL OW20489 2.518 5.716 7.044 -0.0326 0.0584 0.0647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20492 6306SOL HW120490 2.612 5.733 7.016 -0.0332 -1.2168 -0.8217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20493 6306SOL HW220491 2.491 5.781 7.115 1.9982 -0.4931 1.4159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20494 6307SOL OW20492 1.901 6.024 5.642 0.0210 -0.0695 -0.0897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20495 6307SOL HW120493 1.847 6.080 5.579 -0.8769 0.3671 1.0155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20496 6307SOL HW220494 1.839 5.973 5.702 0.6820 -4.0281 -2.4225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20497 6308SOL OW20495 3.166 6.539 6.986 0.5239 0.5505 0.0048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20498 6308SOL HW120496 3.137 6.607 6.919 0.4683 1.7856 1.2505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20499 6308SOL HW220497 3.240 6.483 6.947 0.0858 0.8441 -1.2849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20500 6309SOL OW20498 1.746 5.681 5.817 -0.0243 -0.0342 -0.5382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20501 6309SOL HW120499 1.689 5.653 5.740 -0.2429 -0.7812 -0.1233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20502 6309SOL HW220500 1.840 5.650 5.802 0.9409 3.3304 -2.3967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20503 6310SOL OW20501 2.853 7.008 5.797 0.2031 0.5954 -0.0804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20504 6310SOL HW120502 2.773 6.980 5.850 -0.0900 -0.5454 -1.0749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20505 6310SOL HW220503 2.935 7.001 5.854 -0.1467 -0.2943 0.3267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20506 6311SOL OW20504 2.479 6.463 7.011 -0.3088 -0.1069 -0.1252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20507 6311SOL HW120505 2.573 6.465 6.979 -0.6005 -1.2267 -1.1110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20508 6311SOL HW220506 2.424 6.406 6.951 -1.9158 1.5503 -0.3293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20509 6312SOL OW20507 3.628 7.056 6.649 -0.2254 0.3394 0.2330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20510 6312SOL HW120508 3.639 7.110 6.565 1.7497 -2.1523 -1.2481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20511 6312SOL HW220509 3.567 6.979 6.630 0.3549 -0.3282 1.0495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20512 6313SOL OW20510 2.449 6.145 7.032 -0.2940 0.3324 -0.5778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20513 6313SOL HW120511 2.534 6.181 7.070 -0.7025 0.9058 -0.1833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20514 6313SOL HW220512 2.447 6.046 7.040 -0.9554 0.4855 2.2247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20515 6314SOL OW20513 2.254 0.125 7.223 0.0990 -0.0756 -0.0873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20516 6314SOL HW120514 2.166 0.137 7.269 -0.3428 -0.4502 -0.8214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20517 6314SOL HW220515 2.250 0.169 7.133 1.0699 0.9719 0.3500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20518 6315SOL OW20516 3.382 6.375 6.856 -0.0131 0.3396 -0.1312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20519 6315SOL HW120517 3.354 6.279 6.857 0.8371 0.0818 0.3169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20520 6315SOL HW220518 3.387 6.408 6.762 0.2920 -0.2419 -0.3235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20521 6316SOL OW20519 3.182 5.861 5.897 0.0624 -0.0123 -0.4248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20522 6316SOL HW120520 3.269 5.811 5.897 0.9447 1.2810 2.5414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20523 6316SOL HW220521 3.170 5.905 5.986 -2.7978 1.3666 -1.4009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20524 6317SOL OW20522 2.605 6.329 6.338 -0.1451 0.2264 0.5252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20525 6317SOL HW120523 2.539 6.291 6.402 0.7457 -1.7845 0.3306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20526 6317SOL HW220524 2.578 6.305 6.245 -0.2866 1.2752 0.2897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20527 6318SOL OW20525 3.516 6.545 7.038 -0.1453 0.1489 0.5254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20528 6318SOL HW120526 3.588 6.600 6.995 -0.1097 -1.0463 -1.0456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20529 6318SOL HW220527 3.471 6.490 6.968 -0.6386 -1.3067 1.9465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20530 6319SOL OW20528 2.857 6.644 5.700 0.1279 -0.5692 -0.0963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20531 6319SOL HW120529 2.782 6.666 5.638 0.8341 1.5549 -0.2505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20532 6319SOL HW220530 2.830 6.665 5.794 0.4441 -0.0174 -0.1265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20533 6320SOL OW20531 2.753 6.556 6.295 0.2106 0.0159 0.1035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20534 6320SOL HW120532 2.687 6.482 6.301 -0.3516 0.6308 2.0986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20535 6320SOL HW220533 2.767 6.597 6.385 0.8767 2.0071 -0.8265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20536 6321SOL OW20534 2.946 6.388 5.684 -0.0974 0.0694 0.2767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20537 6321SOL HW120535 2.898 6.475 5.696 1.0145 0.5101 1.8640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20538 6321SOL HW220536 3.033 6.404 5.639 0.4157 -0.0971 1.1811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20539 6322SOL OW20537 3.669 7.204 6.420 0.4777 0.1530 0.0604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20540 6322SOL HW120538 3.744 7.264 6.394 -0.2416 0.7390 -0.6935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20541 6322SOL HW220539 3.659 7.131 6.353 -0.4921 0.8681 -0.5957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20542 6323SOL OW20540 1.990 6.698 6.212 0.3803 -0.0635 -0.2419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20543 6323SOL HW120541 1.964 6.787 6.250 1.4616 -0.7094 2.2170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20544 6323SOL HW220542 2.054 6.712 6.136 0.6158 1.2682 0.1736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20545 6324SOL OW20543 2.662 6.784 0.032 0.4201 -0.4663 -0.4020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20546 6324SOL HW120544 2.575 6.743 0.005 -0.4708 0.0543 1.4505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20547 6324SOL HW220545 2.737 6.727 0.002 -0.5117 -0.6291 -2.5677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20548 6325SOL OW20546 3.439 5.588 6.652 0.3287 0.0846 -0.2481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20549 6325SOL HW120547 3.428 5.588 6.553 2.2056 2.8849 -0.5750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20550 6325SOL HW220548 3.536 5.595 6.675 -0.0866 -0.2409 1.7972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20551 6326SOL OW20549 2.325 5.856 6.126 -0.2149 -0.5631 0.4514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20552 6326SOL HW120550 2.333 5.810 6.038 -1.3770 1.6826 -0.9289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20553 6326SOL HW220551 2.232 5.844 6.161 0.2777 -1.5493 1.4723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20554 6327SOL OW20552 3.457 6.844 6.586 -0.3625 0.3655 0.2658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20555 6327SOL HW120553 3.393 6.835 6.510 -0.3376 0.9738 0.1688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20556 6327SOL HW220554 3.407 6.860 6.670 -0.4437 -1.1563 0.5460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20557 6328SOL OW20555 1.976 6.122 6.861 0.4588 0.7105 -0.2127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20558 6328SOL HW120556 1.947 6.213 6.889 2.4742 1.2069 0.4795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20559 6328SOL HW220557 2.011 6.072 6.941 1.6331 0.2637 -0.9683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20560 6329SOL OW20558 2.582 6.977 6.278 -0.0998 0.0434 0.2464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20561 6329SOL HW120559 2.606 7.071 6.256 2.7186 -1.1016 -2.3228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20562 6329SOL HW220560 2.499 6.951 6.228 0.7031 0.4169 -1.3652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20563 6330SOL OW20561 3.364 5.834 6.739 0.3853 0.0547 0.0552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20564 6330SOL HW120562 3.391 5.753 6.686 0.1453 -0.3274 0.5101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20565 6330SOL HW220563 3.287 5.811 6.798 -0.9699 1.1191 -1.1940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20566 6331SOL OW20564 2.821 5.505 6.869 0.1584 -0.7642 -0.3245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20567 6331SOL HW120565 2.760 5.427 6.883 -2.1155 0.7167 -1.2616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20568 6331SOL HW220566 2.862 5.500 6.778 -0.8718 -0.3329 -0.8254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20569 6332SOL OW20567 2.651 6.941 5.965 0.3683 0.2797 -0.6338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20570 6332SOL HW120568 2.595 7.016 5.998 2.2116 1.7014 -0.5675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20571 6332SOL HW220569 2.640 6.862 6.026 1.2139 1.7520 1.5525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20572 6333SOL OW20570 2.619 7.116 7.124 -0.0979 0.0194 -0.1714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20573 6333SOL HW120571 2.623 7.082 7.218 -0.4095 -0.4924 -0.3421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20574 6333SOL HW220572 2.632 7.215 7.124 2.5092 -0.2301 0.2185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20575 6334SOL OW20573 3.212 5.431 5.846 -0.6576 -0.5493 0.7418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20576 6334SOL HW120574 3.243 5.420 5.751 -1.8416 -4.0506 0.6372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20577 6334SOL HW220575 3.127 5.485 5.847 -1.6671 -2.0370 -0.4640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20578 6335SOL OW20576 3.120 5.925 6.168 -0.1591 0.1380 0.4038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20579 6335SOL HW120577 3.071 6.013 6.161 -1.0952 -0.2998 1.3441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20580 6335SOL HW220578 3.122 5.895 6.263 -0.0954 -1.0096 0.0490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20581 6336SOL OW20579 3.324 5.800 6.456 0.2279 -0.3550 0.5326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20582 6336SOL HW120580 3.352 5.839 6.544 0.9610 1.4065 -0.4364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20583 6336SOL HW220581 3.383 5.836 6.383 0.1991 -2.4454 -0.5954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20584 6337SOL OW20582 2.034 6.714 5.696 0.1619 0.3862 -0.2936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20585 6337SOL HW120583 2.108 6.669 5.747 -1.9396 -1.1371 1.5950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20586 6337SOL HW220584 2.023 6.669 5.608 -0.4974 -1.5111 0.6973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20587 6338SOL OW20585 3.845 0.467 0.041 -0.1054 -0.0609 -0.5209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20588 6338SOL HW120586 3.771 0.409 0.007 0.5743 -1.4989 0.3775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20589 6338SOL HW220587 3.853 0.547 -0.018 -0.7338 -1.1203 -2.1087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20590 6339SOL OW20588 3.617 7.238 0.759 -0.8353 0.1855 -0.3682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20591 6339SOL HW120589 3.656 7.241 0.851 -0.8556 -0.7776 -0.3159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20592 6339SOL HW220590 3.536 7.296 0.755 -0.2821 1.0052 -0.0628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20593 6340SOL OW20591 3.596 0.393 0.613 -0.5056 -0.5416 0.1386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20594 6340SOL HW120592 3.519 0.355 0.664 -0.0639 -0.8372 0.5949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20595 6340SOL HW220593 3.563 0.429 0.526 -1.1019 -0.9831 0.1734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20596 6341SOL OW20594 4.218 1.265 1.264 -0.5695 0.2292 0.2975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20597 6341SOL HW120595 4.162 1.186 1.242 1.2445 -1.0500 0.0908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20598 6341SOL HW220596 4.174 1.348 1.228 -0.9040 -1.0362 -2.4259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20599 6342SOL OW20597 5.292 1.443 0.839 0.0858 0.0091 -0.0109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20600 6342SOL HW120598 5.218 1.379 0.861 -0.0446 -0.9636 -2.8719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20601 6342SOL HW220599 5.253 1.525 0.797 0.4386 1.1251 1.6969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20602 6343SOL OW20600 4.563 0.673 0.471 -0.7020 -0.0242 -0.5508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20603 6343SOL HW120601 4.600 0.581 0.456 1.4745 0.5257 0.9929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20604 6343SOL HW220602 4.467 0.667 0.498 -1.4170 -1.6306 -3.0985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20605 6344SOL OW20603 5.194 0.597 0.286 -0.5019 0.4740 -0.1643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20606 6344SOL HW120604 5.266 0.625 0.350 -1.2829 0.5640 0.7036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20607 6344SOL HW220605 5.125 0.670 0.281 -0.3356 0.5723 -1.3109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20608 6345SOL OW20606 4.398 1.067 1.107 0.0783 -0.4442 0.5486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20609 6345SOL HW120607 4.395 1.073 1.207 1.0643 -0.4468 0.5851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20610 6345SOL HW220608 4.369 1.154 1.068 -0.6859 -0.5679 0.8287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20611 6346SOL OW20609 4.473 0.722 1.769 0.6275 0.2294 -0.1944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20612 6346SOL HW120610 4.514 0.775 1.843 -0.5655 0.4086 0.3662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20613 6346SOL HW220611 4.387 0.766 1.741 2.2128 1.6310 -3.4176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20614 6347SOL OW20612 4.397 0.937 0.674 -0.0567 -0.1450 0.6396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20615 6347SOL HW120613 4.441 0.890 0.751 0.1220 -0.7916 0.1587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20616 6347SOL HW220614 4.319 0.990 0.707 -0.3313 -0.8710 1.1957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20617 6348SOL OW20615 4.405 1.027 1.884 0.0363 0.7128 0.5072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20618 6348SOL HW120616 4.492 1.001 1.841 0.7434 1.2225 1.5963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20619 6348SOL HW220617 4.344 1.065 1.814 0.7164 0.4599 -0.2510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20620 6349SOL OW20618 4.043 1.451 1.155 0.0512 0.1112 -0.3998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20621 6349SOL HW120619 3.959 1.425 1.107 1.3516 -1.1146 -2.1276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20622 6349SOL HW220620 4.108 1.491 1.090 0.4001 2.2352 1.1309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20623 6350SOL OW20621 5.022 1.393 1.388 0.7864 0.0647 0.1491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20624 6350SOL HW120622 5.068 1.481 1.403 1.4927 -0.3521 0.4739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20625 6350SOL HW220623 4.944 1.386 1.450 -0.3153 1.1737 -1.0534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20626 6351SOL OW20624 4.087 0.232 1.305 0.0478 0.3030 0.1407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20627 6351SOL HW120625 4.184 0.211 1.313 0.1550 1.0483 0.9451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20628 6351SOL HW220626 4.043 0.222 1.394 -1.0489 -1.9699 -0.5932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20629 6352SOL OW20627 5.241 0.256 0.548 0.1773 -0.0123 -0.3543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20630 6352SOL HW120628 5.243 0.281 0.451 2.7142 -0.5316 -0.4932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20631 6352SOL HW220629 5.217 0.337 0.603 3.0451 1.5036 -1.1513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20632 6353SOL OW20630 3.991 1.683 0.366 0.4998 0.4256 0.0505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20633 6353SOL HW120631 4.055 1.746 0.410 -0.9437 1.6102 0.5437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20634 6353SOL HW220632 3.902 1.726 0.359 -0.1266 -0.9864 -1.1097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20635 6354SOL OW20633 4.875 1.190 1.825 -0.5279 0.5330 0.2836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20636 6354SOL HW120634 4.957 1.135 1.838 0.9530 2.0802 -1.8382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20637 6354SOL HW220635 4.800 1.131 1.793 0.5027 -0.5301 -0.2438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20638 6355SOL OW20636 3.758 1.594 0.481 0.2671 0.9371 -0.5971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20639 6355SOL HW120637 3.852 1.592 0.447 -0.3682 1.8192 -2.5080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20640 6355SOL HW220638 3.759 1.595 0.581 2.3140 1.7509 -0.5782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20641 6356SOL OW20639 3.939 1.089 0.938 0.3796 0.0510 -0.2437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20642 6356SOL HW120640 4.004 1.068 1.010 0.0386 1.4541 0.5089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20643 6356SOL HW220641 3.850 1.110 0.978 0.1795 0.8261 -1.0517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20644 6357SOL OW20642 4.373 1.969 1.496 0.9377 -0.2403 -0.3460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20645 6357SOL HW120643 4.290 1.916 1.517 1.1627 -0.1865 0.7369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20646 6357SOL HW220644 4.424 1.923 1.423 1.2970 -1.7495 0.7884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20647 6358SOL OW20645 4.215 0.961 0.403 -0.2299 -0.1704 -0.5896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20648 6358SOL HW120646 4.155 1.039 0.422 -0.3909 -0.7960 1.8973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20649 6358SOL HW220647 4.302 0.994 0.367 -0.0456 1.2692 1.0417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20650 6359SOL OW20648 5.267 7.213 1.330 -0.3143 -0.4378 -0.4143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20651 6359SOL HW120649 5.203 7.289 1.344 -0.5560 -0.4754 -1.3351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20652 6359SOL HW220650 5.320 7.228 1.247 -0.1478 -1.1272 -0.4401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20653 6360SOL OW20651 3.704 0.644 0.646 0.2707 -0.4810 -0.4520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20654 6360SOL HW120652 3.689 0.545 0.652 0.6107 -0.5564 -0.8208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20655 6360SOL HW220653 3.709 0.682 0.739 3.4499 -1.3488 -0.1392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20656 6361SOL OW20654 5.399 1.358 0.404 -0.0343 0.2744 -0.5636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20657 6361SOL HW120655 5.394 1.325 0.498 1.3422 1.4676 -0.0349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20658 6361SOL HW220656 5.413 1.457 0.405 -1.3794 0.5048 -2.0541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20659 6362SOL OW20657 3.662 1.528 0.014 0.1632 0.0081 0.0335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20660 6362SOL HW120658 3.579 1.520 -0.040 -0.2137 -2.0455 0.8208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20661 6362SOL HW220659 3.639 1.566 0.104 0.2927 0.6693 -0.2119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20662 6363SOL OW20660 5.262 0.932 0.536 -0.3003 -0.3756 -0.7105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20663 6363SOL HW120661 5.346 0.956 0.585 -0.5213 -1.2916 0.1494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20664 6363SOL HW220662 5.210 1.015 0.518 0.4436 0.1276 -0.6191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20665 6364SOL OW20663 5.144 1.165 0.396 -0.2986 -0.0870 -0.2870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20666 6364SOL HW120664 5.131 1.111 0.312 0.5205 0.4576 -0.7823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20667 6364SOL HW220665 5.216 1.233 0.380 0.8588 -0.8896 1.2956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20668 6365SOL OW20666 3.823 0.757 1.548 -0.1877 0.4079 0.2038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20669 6365SOL HW120667 3.868 0.845 1.536 0.1243 0.3395 0.8341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20670 6365SOL HW220668 3.727 0.765 1.522 -0.1151 0.8887 0.0799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20671 6366SOL OW20669 4.287 1.275 0.720 0.2412 -0.1525 -0.2635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20672 6366SOL HW120670 4.232 1.192 0.725 2.3868 -1.6676 -0.5646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20673 6366SOL HW220671 4.275 1.317 0.630 -0.1841 -0.6432 -0.4425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20674 6367SOL OW20672 4.839 1.107 1.418 -0.4500 0.2480 -0.5375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20675 6367SOL HW120673 4.798 1.076 1.332 1.0974 1.0570 -1.6033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20676 6367SOL HW220674 4.913 1.046 1.444 -0.7956 0.1058 0.1622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20677 6368SOL OW20675 4.424 7.089 0.291 0.1727 0.4006 -0.1300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20678 6368SOL HW120676 4.454 7.174 0.248 -0.1662 0.4362 -0.3003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20679 6368SOL HW220677 4.438 7.013 0.227 2.1022 0.0461 0.6340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20680 6369SOL OW20678 4.044 1.061 1.249 -0.2787 0.0300 0.2101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20681 6369SOL HW120679 4.044 0.964 1.274 -0.7783 0.1588 0.7218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20682 6369SOL HW220680 3.960 1.083 1.200 -0.8574 0.5231 1.3894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20683 6370SOL OW20681 5.145 0.720 7.222 0.3428 -0.3154 0.3770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20684 6370SOL HW120682 5.106 0.680 7.304 0.9933 0.8125 1.2626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20685 6370SOL HW220683 5.225 0.668 7.193 0.8886 0.0243 1.2309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20686 6371SOL OW20684 4.852 1.654 1.698 -0.5084 -0.2555 -0.4461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20687 6371SOL HW120685 4.911 1.721 1.742 -0.8110 -1.7871 2.5550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20688 6371SOL HW220686 4.860 1.662 1.599 2.4690 1.5122 -0.1697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20689 6372SOL OW20687 4.161 0.314 1.882 -0.2766 0.4791 -0.4282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20690 6372SOL HW120688 4.106 0.397 1.884 -1.1485 -0.0761 -0.7304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20691 6372SOL HW220689 4.146 0.265 1.796 -0.7227 -0.5955 0.2330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20692 6373SOL OW20690 5.130 1.231 0.910 0.4138 0.3094 0.2142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20693 6373SOL HW120691 5.067 1.213 0.986 0.9486 -0.0930 0.5729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20694 6373SOL HW220692 5.087 1.205 0.824 -1.0180 2.6858 0.1052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20695 6374SOL OW20693 5.404 1.779 0.647 -0.0095 0.4525 0.3979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20696 6374SOL HW120694 5.322 1.723 0.661 0.1765 0.2033 0.5124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20697 6374SOL HW220695 5.448 1.795 0.736 0.0182 0.6578 0.3471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20698 6375SOL OW20696 4.298 0.470 0.125 -0.3174 0.5604 0.1056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20699 6375SOL HW120697 4.394 0.465 0.098 0.1462 1.3391 1.5255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20700 6375SOL HW220698 4.280 0.559 0.168 -1.5355 0.2063 0.3654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20701 6376SOL OW20699 4.884 0.531 0.845 0.2671 -0.3008 -0.9921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20702 6376SOL HW120700 4.787 0.534 0.821 -0.3032 1.7056 1.2247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20703 6376SOL HW220701 4.915 0.622 0.872 2.4173 -1.1681 -0.3019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20704 6377SOL OW20702 5.133 1.522 0.440 0.0543 0.1157 -0.7028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20705 6377SOL HW120703 5.203 1.520 0.368 0.5096 2.9710 -0.4683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20706 6377SOL HW220704 5.043 1.516 0.398 0.2891 2.3550 -1.6696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20707 6378SOL OW20705 4.372 0.405 1.384 0.1515 0.3575 -0.0695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20708 6378SOL HW120706 4.432 0.439 1.456 0.9874 -0.3800 -0.3903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20709 6378SOL HW220707 4.359 0.306 1.395 0.2495 0.2431 -0.8882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20710 6379SOL OW20708 5.087 0.600 1.637 0.1207 0.0476 -0.7747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20711 6379SOL HW120709 5.098 0.615 1.736 0.4594 -1.4682 -0.5642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20712 6379SOL HW220710 5.045 0.511 1.621 1.4461 -0.3802 -2.0516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20713 6380SOL OW20711 4.618 0.778 1.513 -0.3300 0.5179 -0.4604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20714 6380SOL HW120712 4.698 0.736 1.472 -1.7486 -0.2751 -2.6200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20715 6380SOL HW220713 4.590 0.725 1.593 1.4241 0.9828 0.4982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20716 6381SOL OW20714 4.915 0.291 1.121 0.4977 -0.2909 0.2167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20717 6381SOL HW120715 4.824 0.271 1.083 0.5805 -0.6350 0.1978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20718 6381SOL HW220716 4.943 0.216 1.181 1.8985 -1.4884 -1.8013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20719 6382SOL OW20717 4.652 0.564 0.211 0.6330 0.3520 -0.5187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20720 6382SOL HW120718 4.742 0.552 0.253 0.5789 0.9266 -0.2218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20721 6382SOL HW220719 4.614 0.653 0.239 0.6894 0.8529 -1.9725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20722 6383SOL OW20720 3.761 0.723 0.900 -0.3208 -0.1042 -0.0863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20723 6383SOL HW120721 3.855 0.757 0.894 -0.6741 0.7682 -1.1165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20724 6383SOL HW220722 3.755 0.653 0.971 0.5460 1.6889 1.8651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20725 6384SOL OW20723 3.863 1.773 1.564 0.7050 0.0427 -0.4304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20726 6384SOL HW120724 3.853 1.769 1.664 -0.5220 -1.0139 -0.5569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20727 6384SOL HW220725 3.816 1.694 1.524 2.6751 -0.5066 -1.7577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20728 6385SOL OW20726 4.895 0.091 0.004 0.3930 -0.7477 0.1376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20729 6385SOL HW120727 4.906 0.112 0.101 -3.3103 0.3574 0.4538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20730 6385SOL HW220728 4.827 0.019 -0.008 -1.0752 0.8107 -1.6474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20731 6386SOL OW20729 5.421 0.405 1.590 -0.1143 -0.4240 -0.0727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20732 6386SOL HW120730 5.372 0.461 1.524 0.2207 0.4076 0.3630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20733 6386SOL HW220731 5.407 0.309 1.569 -1.6226 -0.2058 -0.1766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20734 6387SOL OW20732 4.896 1.308 0.341 0.2507 0.7026 -0.0275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20735 6387SOL HW120733 4.973 1.246 0.358 0.6710 1.5721 1.4445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20736 6387SOL HW220734 4.849 1.327 0.428 -1.5010 0.3674 -0.8630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20737 6388SOL OW20735 4.271 0.312 0.649 0.1283 -0.5655 -0.0015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20738 6388SOL HW120736 4.281 0.267 0.738 3.0289 -0.7507 -0.3057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20739 6388SOL HW220737 4.248 0.408 0.663 0.3878 -0.6276 0.9674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20740 6389SOL OW20738 4.711 1.553 0.411 0.3327 -0.5849 0.2925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20741 6389SOL HW120739 4.614 1.575 0.424 -0.2404 -0.9341 -2.6858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20742 6389SOL HW220740 4.738 1.482 0.476 -1.4547 -0.5986 1.0674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20743 6390SOL OW20741 4.138 1.787 0.915 0.3691 -0.5463 -0.1143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20744 6390SOL HW120742 4.121 1.689 0.917 1.5710 -0.8598 -2.3761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20745 6390SOL HW220743 4.236 1.804 0.918 0.2151 0.5361 -0.6247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20746 6391SOL OW20744 5.183 0.880 0.866 -0.1099 -0.1836 0.5108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20747 6391SOL HW120745 5.096 0.911 0.827 0.9875 1.1583 -1.0181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20748 6391SOL HW220746 5.207 0.938 0.944 -0.0016 0.2515 0.1586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20749 6392SOL OW20747 4.808 1.314 1.578 -0.0562 0.0810 0.3070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20750 6392SOL HW120748 4.816 1.282 1.672 1.9004 -0.0320 0.1281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20751 6392SOL HW220749 4.805 1.236 1.516 1.8728 0.1573 0.0745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20752 6393SOL OW20750 3.942 0.926 0.261 -0.5080 -0.1160 -0.0050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20753 6393SOL HW120751 4.034 0.945 0.227 0.3357 -1.6396 1.2938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20754 6393SOL HW220752 3.943 0.841 0.313 -2.5801 0.0593 0.3882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20755 6394SOL OW20753 4.997 0.699 0.587 -0.2526 0.1150 0.3051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20756 6394SOL HW120754 5.049 0.619 0.617 -1.6602 -1.8593 -2.0955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20757 6394SOL HW220755 5.033 0.730 0.499 -1.9288 -0.1922 -0.5301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20758 6395SOL OW20756 4.209 1.100 1.684 -0.1320 -0.3939 -0.0089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20759 6395SOL HW120757 4.143 1.150 1.629 1.2436 0.2056 -1.1663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20760 6395SOL HW220758 4.181 1.004 1.691 -1.4529 -0.0297 0.1112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20761 6396SOL OW20759 4.919 1.621 0.249 -0.2305 0.1524 0.2721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20762 6396SOL HW120760 4.844 1.590 0.308 0.2827 0.7860 1.3028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20763 6396SOL HW220761 4.959 1.543 0.201 0.1117 -0.5999 1.7067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20764 6397SOL OW20762 3.964 0.252 1.566 0.0945 -0.4899 -0.5119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20765 6397SOL HW120763 3.937 0.347 1.580 0.4377 -0.0212 -2.6652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20766 6397SOL HW220764 3.883 0.194 1.567 0.0805 -0.7148 3.7212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20767 6398SOL OW20765 5.118 0.990 7.173 -0.3928 0.0349 -0.3577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20768 6398SOL HW120766 5.025 1.019 7.150 -0.1190 0.6035 -0.7824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20769 6398SOL HW220767 5.121 0.890 7.179 -1.1138 0.0303 0.0397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20770 6399SOL OW20768 4.108 1.530 0.122 -0.0769 0.3970 0.0295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20771 6399SOL HW120769 4.038 1.505 0.055 0.0235 0.1646 0.0090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20772 6399SOL HW220770 4.065 1.557 0.208 -0.1940 0.3462 -0.0138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20773 6400SOL OW20771 5.175 0.048 0.283 -0.0633 0.1934 -0.5213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20774 6400SOL HW120772 5.233 -0.025 0.248 0.1782 0.4330 -0.6120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20775 6400SOL HW220773 5.230 0.129 0.301 -0.4573 0.6360 -1.2510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20776 6401SOL OW20774 3.984 1.860 1.279 0.2845 -0.5837 0.7781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20777 6401SOL HW120775 4.049 1.784 1.283 -0.8266 -1.5780 0.4869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20778 6401SOL HW220776 3.897 1.827 1.243 -0.7538 0.4740 2.2138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20779 6402SOL OW20777 4.584 1.651 0.753 -0.2703 0.6081 -0.6751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20780 6402SOL HW120778 4.667 1.601 0.728 -1.0678 -1.3704 0.4510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20781 6402SOL HW220779 4.518 1.646 0.678 0.0108 0.8151 -0.9394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20782 6403SOL OW20780 3.877 0.719 0.445 0.4637 -0.6724 -0.2474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20783 6403SOL HW120781 3.885 0.647 0.376 0.8147 -1.5185 0.6500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20784 6403SOL HW220782 3.813 0.689 0.516 -1.6538 1.0852 -1.2649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20785 6404SOL OW20783 5.021 0.343 1.543 0.0495 -0.4388 0.3242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20786 6404SOL HW120784 5.042 0.275 1.613 0.0099 -0.5114 0.2656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20787 6404SOL HW220785 4.922 0.356 1.539 0.1144 0.3890 1.0675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20788 6405SOL OW20786 4.240 7.161 7.072 -0.0193 0.2590 -0.1061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20789 6405SOL HW120787 4.291 7.243 7.045 0.1936 -0.3041 -1.5453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20790 6405SOL HW220788 4.143 7.174 7.049 -0.1392 0.4581 0.5141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20791 6406SOL OW20789 4.531 0.220 1.743 0.3538 0.5347 0.1851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20792 6406SOL HW120790 4.592 0.142 1.762 1.0063 1.3891 1.8807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20793 6406SOL HW220791 4.436 0.188 1.743 0.5598 -0.1868 1.5421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20794 6407SOL OW20792 4.545 1.416 1.205 0.4090 0.2975 -0.0539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20795 6407SOL HW120793 4.496 1.389 1.122 1.6398 -1.0030 -0.4043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20796 6407SOL HW220794 4.531 1.347 1.276 2.0919 -0.3909 -0.3394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20797 6408SOL OW20795 4.854 0.674 1.435 -0.3197 0.3182 0.1228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20798 6408SOL HW120796 4.914 0.729 1.493 -1.4109 -0.0938 1.7296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20799 6408SOL HW220797 4.878 0.687 1.339 -0.6591 3.7454 0.3901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20800 6409SOL OW20798 4.448 1.316 0.929 -0.4577 -0.5066 0.3962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20801 6409SOL HW120799 4.536 1.280 0.897 -1.4893 -2.3409 -0.5131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20802 6409SOL HW220800 4.389 1.334 0.850 -0.8626 0.8814 0.9852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20803 6410SOL OW20801 4.612 0.512 0.778 0.1974 0.0365 0.3964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20804 6410SOL HW120802 4.610 0.479 0.683 1.8348 0.2822 0.2551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20805 6410SOL HW220803 4.547 0.459 0.832 -1.5652 0.5928 -1.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20806 6411SOL OW20804 4.174 0.109 0.317 -0.5858 0.1786 -0.6256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20807 6411SOL HW120805 4.129 0.175 0.378 -0.3349 0.8952 -1.2085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20808 6411SOL HW220806 4.104 0.058 0.267 -0.8315 -1.0744 0.9165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20809 6412SOL OW20807 4.870 1.059 7.187 -0.1706 0.0256 0.1796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20810 6412SOL HW120808 4.807 0.982 7.197 -0.6455 0.3821 0.0022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20811 6412SOL HW220809 4.848 1.129 7.255 -2.2394 1.6685 -1.9933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20812 6413SOL OW20810 3.958 7.209 0.185 0.0967 -0.5154 -0.7524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20813 6413SOL HW120811 3.994 7.278 0.122 0.2705 -0.4048 -0.5296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20814 6413SOL HW220812 3.995 7.119 0.162 1.8602 -0.1536 0.4659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20815 6414SOL OW20813 4.573 0.112 0.256 0.3854 0.5348 0.0588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20816 6414SOL HW120814 4.517 0.194 0.270 -0.8266 -0.1109 -0.8693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20817 6414SOL HW220815 4.626 0.094 0.339 -0.9077 1.0694 1.0346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20818 6415SOL OW20816 4.760 0.531 1.161 -0.3304 0.2402 0.2414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20819 6415SOL HW120817 4.809 0.445 1.147 -0.7368 0.0071 0.2492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20820 6415SOL HW220818 4.826 0.605 1.173 0.0220 -0.0011 -0.1934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20821 6416SOL OW20819 4.864 1.550 0.702 0.2695 -0.3585 0.2040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20822 6416SOL HW120820 4.928 1.619 0.670 0.4653 -1.0830 -1.0239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20823 6416SOL HW220821 4.888 1.523 0.796 -0.5685 2.0856 1.1895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20824 6417SOL OW20822 4.123 1.060 0.734 -0.1647 0.5872 0.2673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20825 6417SOL HW120823 4.063 1.051 0.814 0.3145 -1.9661 0.4393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20826 6417SOL HW220824 4.074 1.031 0.652 0.2015 0.4780 0.0832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20827 6418SOL OW20825 4.995 1.813 0.657 0.3975 0.7345 0.0111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20828 6418SOL HW120826 5.027 1.859 0.574 -1.8014 0.9103 -0.8319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20829 6418SOL HW220827 4.909 1.855 0.686 -1.0415 -1.9505 -0.0625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20830 6419SOL OW20828 4.557 0.440 7.238 0.0648 0.5476 -0.4709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20831 6419SOL HW120829 4.547 0.480 7.147 -0.0126 1.5282 -0.0424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20832 6419SOL HW220830 4.629 0.487 7.289 1.0453 -0.8786 -0.4889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20833 6420SOL OW20831 3.708 0.486 1.422 -0.0658 -0.0542 0.3405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20834 6420SOL HW120832 3.709 0.508 1.325 0.4213 -1.0702 0.1117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20835 6420SOL HW220833 3.793 0.518 1.464 -1.2348 2.5393 0.9560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20836 6421SOL OW20834 4.245 0.143 0.859 0.5898 -0.5095 0.2798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20837 6421SOL HW120835 4.261 0.045 0.842 -0.5046 -0.5404 -0.6600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20838 6421SOL HW220836 4.180 0.154 0.934 0.7406 -0.4925 0.4097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20839 6422SOL OW20837 4.555 0.362 0.507 -0.1772 0.4221 0.3937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20840 6422SOL HW120838 4.492 0.363 0.430 -0.3379 2.6083 0.4826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20841 6422SOL HW220839 4.534 0.284 0.566 0.5820 -1.8965 -2.1848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20842 6423SOL OW20840 4.474 0.107 0.672 -0.1598 0.2127 -0.0748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20843 6423SOL HW120841 4.386 0.148 0.651 -0.3540 -0.2548 -0.1783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20844 6423SOL HW220842 4.460 0.019 0.717 0.2530 0.1394 -0.0865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20845 6424SOL OW20843 5.028 1.133 0.649 -0.0916 -0.5696 -0.2628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20846 6424SOL HW120844 4.944 1.082 0.628 0.0410 -1.8275 2.0026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20847 6424SOL HW220845 5.070 1.163 0.563 -2.0974 -1.1096 -1.5212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20848 6425SOL OW20846 5.142 0.476 0.696 -0.2650 -0.2131 -0.3878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20849 6425SOL HW120847 5.052 0.460 0.738 0.1377 -0.3341 0.4431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20850 6425SOL HW220848 5.195 0.538 0.754 0.4405 -0.6826 -0.5251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20851 6426SOL OW20849 5.375 0.722 0.427 -0.0668 -0.4325 0.5150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20852 6426SOL HW120850 5.420 0.659 0.489 0.2952 -1.0444 -0.3447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20853 6426SOL HW220851 5.333 0.797 0.479 0.8122 -0.5569 1.4317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20854 6427SOL OW20852 4.154 1.238 0.278 -0.1466 -0.3238 0.0613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20855 6427SOL HW120853 4.058 1.250 0.302 -0.3304 0.1714 -0.8632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20856 6427SOL HW220854 4.167 1.259 0.181 0.7992 -0.9144 0.0472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20857 6428SOL OW20855 5.437 1.267 0.656 0.2312 0.2641 0.2271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20858 6428SOL HW120856 5.446 1.170 0.678 2.4132 0.8057 2.0167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20859 6428SOL HW220857 5.376 1.310 0.721 1.3905 0.5797 1.1285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20860 6429SOL OW20858 5.072 0.411 7.112 0.6097 0.2577 0.6557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20861 6429SOL HW120859 5.015 0.409 7.194 -0.2948 1.1473 0.0721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20862 6429SOL HW220860 5.095 0.317 7.085 -0.5047 -0.1230 0.9635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20863 6430SOL OW20861 4.112 0.116 0.042 0.1839 0.0909 0.2742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20864 6430SOL HW120862 4.195 0.078 0.001 -0.0579 0.7812 -0.9165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20865 6430SOL HW220863 4.086 0.199 -0.008 -0.0896 1.0346 1.9406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20866 6431SOL OW20864 5.314 1.200 1.540 0.2088 0.8557 0.4278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20867 6431SOL HW120865 5.402 1.155 1.522 -0.5648 -1.6962 2.4492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20868 6431SOL HW220866 5.326 1.267 1.613 0.3352 -0.3592 1.5734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20869 6432SOL OW20867 4.557 0.974 1.338 -0.4752 -0.3478 -0.7305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20870 6432SOL HW120868 4.534 1.056 1.390 -1.1051 -0.7095 -0.4325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20871 6432SOL HW220869 4.589 0.903 1.401 0.0136 -0.3519 -0.9817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20872 6433SOL OW20870 5.315 1.698 1.707 -0.0737 0.0749 -0.6069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20873 6433SOL HW120871 5.318 1.756 1.626 -0.1876 0.4997 -0.3108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20874 6433SOL HW220872 5.354 1.608 1.685 -1.8113 -0.4773 -1.6413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20875 6434SOL OW20873 4.717 1.111 1.168 -0.2875 0.1679 0.1429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20876 6434SOL HW120874 4.653 1.069 1.232 0.8126 -3.4762 -0.8986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20877 6434SOL HW220875 4.666 1.165 1.101 -1.7607 1.0679 1.8823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20878 6435SOL OW20876 5.162 0.981 1.188 0.0026 0.4218 -0.3817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20879 6435SOL HW120877 5.179 1.078 1.206 -1.0109 1.2406 -3.2517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20880 6435SOL HW220878 5.071 0.970 1.149 -0.3573 -1.8925 0.9414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20881 6436SOL OW20879 4.590 0.042 1.348 0.3667 0.0737 0.1221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20882 6436SOL HW120880 4.631 0.000 1.266 0.8271 0.5040 0.1323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20883 6436SOL HW220881 4.662 0.081 1.405 -0.0204 0.4641 0.3483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20884 6437SOL OW20882 4.609 1.018 1.671 0.2975 -0.6027 0.0585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20885 6437SOL HW120883 4.585 1.112 1.647 1.9903 -0.1110 0.2159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20886 6437SOL HW220884 4.610 0.962 1.588 0.6983 -0.1605 -0.2355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20887 6438SOL OW20885 4.497 1.016 0.425 -0.0507 -0.5787 -0.4002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20888 6438SOL HW120886 4.477 1.002 0.522 3.1917 0.6191 0.5750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20889 6438SOL HW220887 4.554 0.941 0.392 2.2889 0.9714 -0.1358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20890 6439SOL OW20888 4.092 0.780 1.272 0.0249 0.2518 -0.6265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20891 6439SOL HW120889 4.177 0.760 1.321 -0.5703 0.1151 0.3769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20892 6439SOL HW220890 4.038 0.697 1.263 -0.5039 0.5486 -0.2659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20893 6440SOL OW20891 5.179 0.364 1.004 -0.0110 0.5210 -0.2265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20894 6440SOL HW120892 5.229 0.304 1.065 0.3904 -0.7098 -1.7136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20895 6440SOL HW220893 5.081 0.342 1.009 0.2402 -1.1130 -1.5999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20896 6441SOL OW20894 3.843 1.589 1.361 0.0816 -0.1831 0.2706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20897 6441SOL HW120895 3.824 1.638 1.276 0.4891 0.8968 0.7965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20898 6441SOL HW220896 3.941 1.592 1.381 0.0114 -0.5803 0.6994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20899 6442SOL OW20897 3.928 1.081 0.494 -0.2015 0.2737 -0.4225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20900 6442SOL HW120898 3.916 1.163 0.440 0.7219 0.0653 -0.9646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20901 6442SOL HW220899 3.907 1.000 0.439 -0.1689 0.0976 -0.1818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20902 6443SOL OW20900 4.227 0.559 0.741 0.6898 -0.4702 0.0404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20903 6443SOL HW120901 4.200 0.636 0.683 -1.2476 -1.6172 -0.6785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20904 6443SOL HW220902 4.259 0.593 0.829 -0.7416 1.1637 -0.0167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20905 6444SOL OW20903 4.760 1.341 0.574 -0.1747 0.0860 -0.1945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20906 6444SOL HW120904 4.734 1.257 0.621 0.1393 -0.6668 -1.3521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20907 6444SOL HW220905 4.793 1.408 0.641 -0.9807 -0.4841 0.7991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20908 6445SOL OW20906 4.926 1.302 1.150 0.2741 -0.0672 -0.1595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20909 6445SOL HW120907 4.947 1.351 1.234 1.4641 -1.0453 0.1516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20910 6445SOL HW220908 4.845 1.246 1.163 1.7440 -2.0228 1.1778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20911 6446SOL OW20909 4.905 0.520 0.321 -0.1590 0.4315 -0.0155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20912 6446SOL HW120910 4.903 0.421 0.336 -1.6213 0.3323 -0.7637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20913 6446SOL HW220911 5.000 0.549 0.308 0.0965 -1.3908 -2.9595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20914 6447SOL OW20912 4.117 1.636 1.340 -0.3415 -0.1305 0.3428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20915 6447SOL HW120913 4.101 1.568 1.268 0.6433 0.8382 -0.8305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20916 6447SOL HW220914 4.215 1.646 1.355 -0.4737 0.9932 0.5271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20917 6448SOL OW20915 4.200 0.803 1.723 0.1240 -0.0586 0.1215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20918 6448SOL HW120916 4.214 0.759 1.635 2.0685 1.1477 -0.2470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20919 6448SOL HW220917 4.150 0.742 1.784 -2.1268 -0.5600 -2.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20920 6449SOL OW20918 5.274 0.631 1.444 -0.2096 0.1178 0.7141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20921 6449SOL HW120919 5.199 0.643 1.509 -0.8694 1.1940 -0.2121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20922 6449SOL HW220920 5.309 0.721 1.418 0.8765 -0.3539 0.5228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20923 6450SOL OW20921 4.823 0.085 1.977 0.6308 0.2955 0.1314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20924 6450SOL HW120922 4.822 0.166 1.919 -0.6818 0.7848 0.7780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20925 6450SOL HW220923 4.897 0.091 2.043 0.6665 0.8798 0.0400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20926 6451SOL OW20924 4.142 0.059 1.600 -0.5811 -0.0124 0.2597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20927 6451SOL HW120925 4.115 -0.037 1.596 -0.7923 -0.0696 2.1824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20928 6451SOL HW220926 4.065 0.117 1.576 -0.3694 -0.3064 -1.2049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20929 6452SOL OW20927 4.224 0.863 1.049 0.2396 -0.3228 -0.0137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20930 6452SOL HW120928 4.288 0.938 1.065 0.4948 -0.2194 -1.3546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20931 6452SOL HW220929 4.178 0.839 1.134 1.1023 0.4860 0.6986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20932 6453SOL OW20930 4.912 0.812 0.819 -0.2815 0.4051 -0.0094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20933 6453SOL HW120931 4.813 0.805 0.830 -0.4178 1.5436 -0.3639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20934 6453SOL HW220932 4.938 0.771 0.731 -0.5591 0.8745 -0.3172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20935 6454SOL OW20933 4.903 0.407 0.076 -0.0111 0.2887 0.4113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20936 6454SOL HW120934 4.901 0.307 0.072 -1.1070 0.2710 0.9647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20937 6454SOL HW220935 4.898 0.437 0.171 -0.3256 0.8731 0.2162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20938 6455SOL OW20936 4.015 0.206 1.030 -0.1665 0.1014 -0.1752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20939 6455SOL HW120937 4.035 0.219 1.127 1.9675 0.2531 -0.6023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20940 6455SOL HW220938 3.930 0.154 1.020 -0.4893 0.1956 1.7494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20941 6456SOL OW20939 3.735 1.367 1.281 -0.1938 0.1968 0.2368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20942 6456SOL HW120940 3.637 1.383 1.277 0.0265 1.3929 -0.8877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20943 6456SOL HW220941 3.781 1.447 1.321 0.4428 0.2251 -0.5323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20944 6457SOL OW20942 4.320 0.626 0.978 0.0802 -0.4988 0.1579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20945 6457SOL HW120943 4.386 0.603 1.050 1.4055 0.5167 -0.6761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20946 6457SOL HW220944 4.288 0.720 0.991 0.6202 -0.1798 -0.7814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20947 6458SOL OW20945 5.579 0.937 1.767 0.0725 0.0953 -0.1856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20948 6458SOL HW120946 5.571 0.841 1.742 0.6432 -0.0244 0.0669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20949 6458SOL HW220947 5.500 0.964 1.822 -0.4416 -0.0335 -0.8448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20950 6459SOL OW20948 4.047 0.269 0.503 0.1335 -0.1165 -1.0635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20951 6459SOL HW120949 3.958 0.260 0.547 0.2214 0.5928 -0.7251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20952 6459SOL HW220950 4.119 0.274 0.572 0.2326 1.4174 -1.2397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20953 6460SOL OW20951 5.258 0.309 0.288 -0.3643 -0.3362 0.2170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20954 6460SOL HW120952 5.313 0.269 0.215 -3.1300 -2.2930 -0.9331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20955 6460SOL HW220953 5.242 0.406 0.268 4.1032 0.9144 1.6139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20956 6461SOL OW20954 4.669 0.702 0.961 -0.6085 0.2347 -0.0842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20957 6461SOL HW120955 4.687 0.635 1.032 1.2322 -0.3611 -1.0501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20958 6461SOL HW220956 4.618 0.660 0.887 -0.0951 0.0972 -0.3609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20959 6462SOL OW20957 4.654 1.553 1.875 -0.1649 0.0505 -0.4412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20960 6462SOL HW120958 4.567 1.537 1.829 0.4787 -0.0770 -1.6460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20961 6462SOL HW220959 4.721 1.588 1.810 0.3360 1.3970 0.7518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20962 6463SOL OW20960 5.441 1.488 1.628 0.6401 -0.0685 -0.1710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20963 6463SOL HW120961 5.490 1.485 1.541 0.6053 0.7254 -0.2164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20964 6463SOL HW220962 5.495 1.441 1.698 0.7373 -0.5792 -0.5822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20965 6464SOL OW20963 3.955 0.891 1.820 -0.5349 -0.1617 -0.2424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20966 6464SOL HW120964 3.917 0.809 1.864 1.3484 -0.4293 0.9871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20967 6464SOL HW220965 4.006 0.863 1.738 2.4648 -0.6788 1.6557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20968 6465SOL OW20966 5.159 0.160 7.194 0.1862 -0.1241 -0.0940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20969 6465SOL HW120967 5.079 0.102 7.211 0.2528 -0.3034 -0.3833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20970 6465SOL HW220968 5.217 0.163 7.276 -0.6498 0.8641 0.4840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20971 6466SOL OW20969 4.842 0.593 7.143 0.0494 0.3862 0.1648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20972 6466SOL HW120970 4.840 0.526 7.218 -2.0249 -2.6118 -2.3147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20973 6466SOL HW220971 4.910 0.564 7.076 -0.5650 1.0161 -0.7393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20974 6467SOL OW20972 4.718 1.252 0.875 -0.2057 -0.3765 0.0540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20975 6467SOL HW120973 4.746 1.161 0.844 1.5421 -0.3844 1.4684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20976 6467SOL HW220974 4.798 1.313 0.875 -1.4990 1.4471 -1.6886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20977 6468SOL OW20975 4.012 0.779 0.891 -0.3065 -0.4873 0.3478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20978 6468SOL HW120976 4.044 0.777 0.796 -1.1829 3.0180 -0.1527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20979 6468SOL HW220977 4.080 0.825 0.948 -1.1292 0.1783 0.8052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20980 6469SOL OW20978 3.921 0.444 0.955 0.2796 -0.2141 0.3746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20981 6469SOL HW120979 3.960 0.358 0.986 0.7886 -0.6195 -1.2737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20982 6469SOL HW220980 3.990 0.496 0.904 -0.6812 0.0540 -0.7144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20983 6470SOL OW20981 4.764 0.436 1.561 -0.2413 -0.2692 -0.0107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20984 6470SOL HW120982 4.666 0.446 1.574 -0.3305 -0.8117 -0.2600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20985 6470SOL HW220983 4.800 0.517 1.514 -0.3154 0.5868 1.3604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20986 6471SOL OW20984 4.767 0.170 1.505 -0.9991 -0.6704 -0.1657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20987 6471SOL HW120985 4.766 0.268 1.524 -1.4639 -1.0252 1.8588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20988 6471SOL HW220986 4.761 0.119 1.591 2.7600 -2.5522 -0.8396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20989 6472SOL OW20987 3.699 1.215 0.138 -0.2222 -0.0226 -0.0543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20990 6472SOL HW120988 3.608 1.254 0.123 0.0079 1.0478 1.1722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20991 6472SOL HW220989 3.691 1.133 0.195 -0.5871 -1.1868 -1.6828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20992 6473SOL OW20990 3.792 1.747 0.840 -0.4632 -0.6993 0.0075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20993 6473SOL HW120991 3.786 1.657 0.797 -1.3218 -0.8750 0.4732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20994 6473SOL HW220992 3.854 1.805 0.787 -0.5205 -1.3086 -0.7491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20995 6474SOL OW20993 4.213 1.500 0.949 -0.3156 0.6423 -0.5436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20996 6474SOL HW120994 4.303 1.538 0.969 -0.3767 -0.4220 2.2433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20997 6474SOL HW220995 4.222 1.429 0.879 1.1644 -0.0597 0.3167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20998 6475SOL OW20996 4.486 0.533 1.165 -0.5311 -0.2109 -0.5084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
20999 6475SOL HW120997 4.585 0.534 1.151 -0.4144 1.2713 0.1535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21000 6475SOL HW220998 4.460 0.457 1.225 0.2892 -0.2236 -0.1683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21001 6476SOL OW20999 3.702 0.509 1.099 0.4755 -0.1260 0.6951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21002 6476SOL HW121000 3.780 0.480 1.044 -0.0151 1.6471 -1.0809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21003 6476SOL HW221001 3.657 0.430 1.140 1.3195 -1.4697 -0.8878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21004 6477SOL OW21002 3.923 0.528 1.607 0.2664 -0.2661 0.4370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21005 6477SOL HW121003 3.984 0.540 1.684 -0.3935 -2.2318 1.3466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21006 6477SOL HW221004 3.894 0.617 1.572 1.1168 0.6640 2.0133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21007 6478SOL OW21005 5.051 0.925 1.495 -0.3583 -0.4589 0.3861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21008 6478SOL HW121006 5.095 0.986 1.560 -0.5872 -0.6570 0.7327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21009 6478SOL HW221007 5.111 0.910 1.417 -0.3984 0.3882 0.1937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21010 6479SOL OW21008 4.373 0.295 0.324 0.5480 -0.6666 -1.0002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21011 6479SOL HW121009 4.306 0.225 0.349 0.4789 -0.0807 0.5545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21012 6479SOL HW221010 4.329 0.363 0.264 -0.6103 0.2649 0.8057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21013 6480SOL OW21011 5.188 0.629 1.045 -0.0836 -0.7432 -0.0570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21014 6480SOL HW121012 5.204 0.538 1.005 0.8386 -1.0336 0.9337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21015 6480SOL HW221013 5.180 0.696 0.971 -1.6585 -1.7433 -0.8453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21016 6481SOL OW21014 4.093 1.489 1.630 -0.5387 0.1810 0.3634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21017 6481SOL HW121015 4.149 1.567 1.657 -0.7698 0.6503 -0.4519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21018 6481SOL HW221016 4.007 1.489 1.682 -0.3343 0.2038 0.6985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21019 6482SOL OW21017 4.425 0.364 0.917 -0.4523 0.1165 0.6269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21020 6482SOL HW121018 4.367 0.288 0.886 -0.7865 1.0643 -1.2362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21021 6482SOL HW221019 4.368 0.430 0.967 -0.4158 -0.2400 1.1474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21022 6483SOL OW21020 4.609 1.513 1.564 0.2012 -0.1066 0.0313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21023 6483SOL HW121021 4.667 1.432 1.573 -1.1075 -1.0206 0.4608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21024 6483SOL HW221022 4.665 1.590 1.533 1.0447 -1.7757 -3.0907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21025 6484SOL OW21023 4.108 0.404 7.211 -0.0032 -0.1440 0.5443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21026 6484SOL HW121024 4.178 0.417 7.281 0.5205 -0.0041 -0.0100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21027 6484SOL HW221025 4.018 0.417 7.252 0.3100 0.2409 1.1255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21028 6485SOL OW21026 3.855 1.052 1.472 -0.4917 0.2615 -0.2232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21029 6485SOL HW121027 3.913 1.128 1.500 0.8094 -1.1336 1.0893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21030 6485SOL HW221028 3.816 1.071 1.382 -0.5944 2.6412 0.2650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21031 6486SOL OW21029 4.900 0.932 1.064 0.2576 -0.4519 0.1651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21032 6486SOL HW121030 4.887 0.898 0.970 1.1028 0.4629 -0.2933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21033 6486SOL HW221031 4.821 0.988 1.090 -0.8349 -2.1348 0.6837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21034 6487SOL OW21032 5.007 0.809 0.328 0.2635 -0.3257 0.2907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21035 6487SOL HW121033 5.059 0.886 0.292 -0.6613 -0.1745 -0.7547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21036 6487SOL HW221034 4.910 0.821 0.307 -0.1986 -0.6822 2.0636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21037 6488SOL OW21035 5.365 1.510 1.187 0.1248 -0.3439 0.3957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21038 6488SOL HW121036 5.362 1.585 1.121 -0.4674 -0.3742 0.3831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21039 6488SOL HW221037 5.396 1.426 1.142 0.5159 -0.1776 0.3475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21040 6489SOL OW21038 4.965 1.479 0.950 0.3310 0.2039 0.0207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21041 6489SOL HW121039 5.026 1.553 0.979 0.4440 0.1917 -0.1915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21042 6489SOL HW221040 4.972 1.403 1.014 1.4506 -0.2964 -0.6780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21043 6490SOL OW21041 3.761 1.111 1.180 -0.3511 0.3829 0.5427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21044 6490SOL HW121042 3.746 1.194 1.234 -0.2963 0.6066 0.2207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21045 6490SOL HW221043 3.682 1.096 1.121 -0.5408 -0.0273 0.8992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21046 6491SOL OW21044 4.388 1.527 1.729 0.0414 -0.6483 -0.3639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21047 6491SOL HW121045 4.323 1.603 1.735 0.5573 -0.3192 1.8534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21048 6491SOL HW221046 4.455 1.547 1.657 0.6048 1.4030 0.6549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21049 6492SOL OW21047 4.637 0.113 6.954 -0.7997 -0.0736 0.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21050 6492SOL HW121048 4.573 0.075 6.887 0.8906 -1.6746 -0.6102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21051 6492SOL HW221049 4.601 0.098 7.046 -0.6932 -2.8029 -0.1491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21052 6493SOL OW21050 5.685 0.325 0.253 -0.3942 0.0154 0.2251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21053 6493SOL HW121051 5.782 0.301 0.246 -0.1278 0.6373 1.4930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21054 6493SOL HW221052 5.657 0.378 0.173 0.7794 1.3423 0.6576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21055 6494SOL OW21053 5.184 1.635 0.683 0.0572 0.2953 -0.6928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21056 6494SOL HW121054 5.170 1.584 0.599 0.4415 1.7572 -1.6739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21057 6494SOL HW221055 5.117 1.710 0.689 -2.8950 -2.2083 2.4107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21058 6495SOL OW21056 3.764 1.729 1.824 -0.2547 0.3866 0.0916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21059 6495SOL HW121057 3.798 1.698 1.913 0.8306 -0.5808 -0.6259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21060 6495SOL HW221058 3.668 1.703 1.814 -1.0557 2.4225 1.8276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21061 6496SOL OW21059 4.754 0.851 0.545 -0.2201 -0.3821 0.3317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21062 6496SOL HW121060 4.846 0.819 0.524 -0.3703 0.2640 -1.4696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21063 6496SOL HW221061 4.687 0.785 0.511 -0.4546 0.1416 -0.2322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21064 6497SOL OW21062 4.470 1.234 1.401 -0.0188 -0.2259 0.6831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21065 6497SOL HW121063 4.471 1.252 1.500 -0.3361 -1.5184 0.9432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21066 6497SOL HW221064 4.378 1.253 1.366 0.4472 1.5835 0.3379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21067 6498SOL OW21065 4.364 1.513 7.235 0.1361 0.4117 -0.4265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21068 6498SOL HW121066 4.430 1.579 7.269 -0.4268 0.5519 0.4200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21069 6498SOL HW221067 4.276 1.527 7.281 -0.3768 -0.0316 -1.2482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21070 6499SOL OW21068 5.169 1.629 1.343 -0.5987 0.0013 -0.1153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21071 6499SOL HW121069 5.212 1.553 1.294 -2.1007 -0.3510 -0.9666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21072 6499SOL HW221070 5.239 1.689 1.380 0.6236 -0.5224 -1.4812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21073 6500SOL OW21071 5.375 0.019 0.530 0.4115 0.8129 0.3061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21074 6500SOL HW121072 5.328 -0.051 0.584 1.6300 0.5823 1.0913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21075 6500SOL HW221073 5.318 0.101 0.526 -1.2336 -0.3026 -0.9714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21076 6501SOL OW21074 3.795 0.175 0.599 -0.3126 0.2775 -0.6955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21077 6501SOL HW121075 3.749 0.264 0.608 0.5981 0.7842 -0.9068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21078 6501SOL HW221076 3.758 0.112 0.667 0.3917 1.4250 0.8320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21079 6502SOL OW21077 5.049 1.438 0.080 0.4559 0.5698 -0.1697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21080 6502SOL HW121078 4.979 1.367 0.084 -1.1491 2.0768 -0.1429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21081 6502SOL HW221079 5.051 1.477 -0.012 -0.2390 1.9349 0.3694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21082 6503SOL OW21080 4.399 0.766 1.297 -0.5141 0.0829 0.0414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21083 6503SOL HW121081 4.432 0.684 1.250 -0.8901 -0.8988 1.4041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21084 6503SOL HW221082 4.455 0.845 1.271 1.6594 -1.1347 0.7733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21085 6504SOL OW21083 4.752 0.950 0.194 0.0169 0.5336 0.1326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21086 6504SOL HW121084 4.774 1.046 0.176 -1.7562 0.5811 -2.1450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21087 6504SOL HW221085 4.750 0.899 0.108 -0.3590 -1.2727 1.1610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21088 6505SOL OW21086 5.263 1.546 0.177 -0.8981 0.1943 -0.4362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21089 6505SOL HW121087 5.186 1.497 0.136 -0.2189 -2.1717 0.8791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21090 6505SOL HW221088 5.348 1.497 0.157 -0.1082 1.1069 0.5454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21091 6506SOL OW21089 4.050 1.244 1.510 -0.0812 -0.4415 -0.0590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21092 6506SOL HW121090 4.047 1.340 1.537 -0.9825 -0.2769 -0.6983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21093 6506SOL HW221091 4.098 1.235 1.423 -0.1967 -0.5326 -0.1152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21094 6507SOL OW21092 5.186 1.225 1.293 -0.3463 0.3546 -0.0542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21095 6507SOL HW121093 5.247 1.231 1.372 -0.7996 -0.3201 0.3673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21096 6507SOL HW221094 5.105 1.282 1.308 -0.4071 0.2692 -0.0558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21097 6508SOL OW21095 4.676 1.073 0.684 -0.0356 0.4188 -0.0817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21098 6508SOL HW121096 4.581 1.058 0.713 0.2267 -0.6615 0.2318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21099 6508SOL HW221097 4.708 0.995 0.630 1.5430 -0.5464 2.0886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21100 6509SOL OW21098 4.678 0.243 1.024 0.6802 0.6549 -0.3817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21101 6509SOL HW121099 4.638 0.169 1.079 0.3640 0.6436 -0.6210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21102 6509SOL HW221100 4.604 0.291 0.976 1.0437 0.0433 -1.5723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21103 6510SOL OW21101 4.283 1.381 0.474 0.0238 -0.1234 0.0639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21104 6510SOL HW121102 4.374 1.346 0.451 0.1446 -0.3018 0.7931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21105 6510SOL HW221103 4.220 1.362 0.399 0.6359 0.1926 -0.5399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21106 6511SOL OW21104 5.350 0.266 1.272 0.1088 0.2978 0.4586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21107 6511SOL HW121105 5.407 0.347 1.283 1.5283 -0.8156 1.7125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21108 6511SOL HW221106 5.403 0.193 1.229 0.1177 -1.1679 2.7701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21109 6512SOL OW21107 3.871 1.300 0.320 -0.2875 -0.1232 0.3767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21110 6512SOL HW121108 3.823 1.261 0.241 0.4731 0.1514 -0.2333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21111 6512SOL HW221109 3.911 1.388 0.294 2.5456 -1.3944 0.1356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21112 6513SOL OW21110 3.866 1.153 1.790 -0.2168 -0.0140 0.5600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21113 6513SOL HW121111 3.789 1.161 1.853 -1.5640 -2.4418 -0.6258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21114 6513SOL HW221112 3.894 1.058 1.783 -0.4227 0.0225 -2.7420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21115 6514SOL OW21113 4.342 0.128 1.409 -0.4488 0.0648 -0.5721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21116 6514SOL HW121114 4.439 0.109 1.401 0.0103 1.4335 1.0476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21117 6514SOL HW221115 4.309 0.099 1.499 -1.1338 1.1195 -0.4618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21118 6515SOL OW21116 3.588 0.315 7.232 0.1134 -0.0886 -0.1263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21119 6515SOL HW121117 3.633 0.227 7.224 -2.0265 -1.2953 0.3848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21120 6515SOL HW221118 3.524 0.327 7.156 1.5274 1.8025 -1.1222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21121 6516SOL OW21119 4.975 0.710 1.186 0.0118 -0.5878 -0.3144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21122 6516SOL HW121120 4.966 0.791 1.129 -0.1929 -0.3935 -0.0090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21123 6516SOL HW221121 5.069 0.675 1.179 1.1675 1.6606 2.1488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21124 6517SOL OW21122 3.479 0.484 0.394 -0.1985 -0.1647 -0.2958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21125 6517SOL HW121123 3.423 0.553 0.347 -0.1088 -0.1796 -0.4237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21126 6517SOL HW221124 3.528 0.429 0.326 -0.7390 -0.7532 -0.2210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21127 6518SOL OW21125 4.789 1.247 0.109 0.1151 0.4585 0.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21128 6518SOL HW121126 4.690 1.254 0.095 0.3850 1.2657 -1.6411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21129 6518SOL HW221127 4.811 1.283 0.200 -1.1754 0.0103 0.5918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21130 6519SOL OW21128 4.267 0.677 1.509 -0.0628 0.2846 -0.2628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21131 6519SOL HW121129 4.331 0.699 1.435 0.8666 0.6424 0.6187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21132 6519SOL HW221130 4.264 0.578 1.523 3.8369 0.2935 2.5749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21133 6520SOL OW21131 5.135 1.678 1.057 -0.4463 -0.4644 -0.0354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21134 6520SOL HW121132 5.152 1.776 1.046 -1.0395 -0.3697 -0.1533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21135 6520SOL HW221133 5.117 1.657 1.153 -1.1255 -0.3227 -0.1295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21136 6521SOL OW21134 4.507 0.467 1.651 -0.2312 -0.4835 -0.1486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21137 6521SOL HW121135 4.477 0.537 1.716 0.5846 0.0617 -0.3477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21138 6521SOL HW221136 4.513 0.379 1.698 -0.0094 -0.1683 0.4254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21139 6522SOL OW21137 5.125 1.088 1.695 -0.2960 -0.5367 -0.0510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21140 6522SOL HW121138 5.134 1.123 1.789 -1.5345 0.4159 -0.2710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21141 6522SOL HW221139 5.196 1.128 1.638 -0.7116 0.3739 0.0602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21142 6523SOL OW21140 4.155 1.834 1.567 0.1857 -0.0643 1.2063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21143 6523SOL HW121141 4.099 1.910 1.599 -0.5715 -0.1922 0.2402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21144 6523SOL HW221142 4.105 1.782 1.497 1.9698 0.5931 -0.6823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21145 6524SOL OW21143 5.413 0.705 1.208 0.4113 -0.5314 -0.4334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21146 6524SOL HW121144 5.458 0.627 1.250 0.7001 -0.1213 0.0385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21147 6524SOL HW221145 5.316 0.684 1.193 -0.1094 -0.1818 1.9162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21148 6525SOL OW21146 4.942 0.201 0.278 -0.4454 -0.2346 -0.2433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21149 6525SOL HW121147 5.028 0.154 0.299 0.1914 -0.2749 -2.6162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21150 6525SOL HW221148 4.908 0.247 0.361 2.6274 0.9972 0.4827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21151 6526SOL OW21149 4.113 0.757 0.621 -0.1405 0.1246 -0.6104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21152 6526SOL HW121150 4.138 0.830 0.557 0.3484 -1.6349 -2.5437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21153 6526SOL HW221151 4.039 0.702 0.581 -0.5171 -0.4431 0.8086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21154 6527SOL OW21152 5.092 0.177 1.343 -0.1967 0.5717 -0.4942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21155 6527SOL HW121153 5.178 0.218 1.312 0.4261 1.5910 2.2433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21156 6527SOL HW221154 5.046 0.240 1.405 -1.3606 -1.1989 0.5331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21157 6528SOL OW21155 5.344 0.899 1.402 -0.4973 -0.0164 0.0074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21158 6528SOL HW121156 5.405 0.970 1.438 0.4189 -1.3239 1.1487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21159 6528SOL HW221157 5.305 0.930 1.316 0.6520 1.4687 -0.0317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21160 6529SOL OW21158 4.536 1.218 0.146 0.3540 0.1761 -0.8184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21161 6529SOL HW121159 4.508 1.266 0.229 -0.5101 -0.3780 -0.7789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21162 6529SOL HW221160 4.460 1.217 0.081 0.5013 -0.7577 -0.9874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21163 6530SOL OW21161 4.449 1.628 0.989 -0.4144 0.6383 0.5402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21164 6530SOL HW121162 4.434 1.726 0.999 1.2987 0.8853 0.9966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21165 6530SOL HW221163 4.507 1.610 0.910 -0.8500 -0.0298 0.3567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21166 6531SOL OW21164 4.563 0.959 0.911 0.0776 0.3846 0.0378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21167 6531SOL HW121165 4.598 0.872 0.946 -0.6024 -0.1239 -0.5090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21168 6531SOL HW221166 4.506 1.003 0.980 -1.4909 -0.7485 -0.4821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21169 6532SOL OW21167 4.743 0.833 7.186 -0.1967 -0.0078 -0.2598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21170 6532SOL HW121168 4.647 0.834 7.158 -0.5716 -0.3333 0.9590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21171 6532SOL HW221169 4.781 0.742 7.169 0.0397 0.2604 -1.1912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21172 6533SOL OW21170 5.564 1.528 0.917 0.2566 0.3095 0.5471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21173 6533SOL HW121171 5.480 1.482 0.888 0.5870 0.6582 -1.0492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21174 6533SOL HW221172 5.626 1.461 0.957 0.0501 -0.3376 -0.1840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21175 6534SOL OW21173 3.877 1.421 1.776 -0.6337 0.1646 -0.0594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21176 6534SOL HW121174 3.883 1.322 1.791 1.2302 0.4044 1.0918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21177 6534SOL HW221175 3.852 1.466 1.862 1.9322 0.9077 0.3930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21178 6535SOL OW21176 3.868 1.240 0.724 -0.3697 -0.5620 0.1858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21179 6535SOL HW121177 3.913 1.235 0.813 3.1175 2.1787 -1.1969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21180 6535SOL HW221178 3.887 1.156 0.673 -0.1978 -1.0839 1.0876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21181 6536SOL OW21179 4.439 1.260 1.655 -0.1642 0.1846 0.5108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21182 6536SOL HW121180 4.351 1.215 1.670 -0.4700 0.5271 -0.2167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21183 6536SOL HW221181 4.440 1.347 1.704 -0.3753 0.3574 0.2071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21184 6537SOL OW21182 5.434 0.036 1.118 0.5440 -0.5144 -0.1849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21185 6537SOL HW121183 5.510 -0.005 1.068 1.1178 0.4556 -0.1344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21186 6537SOL HW221184 5.348 0.016 1.070 0.7706 -1.9221 -0.0434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21187 6538SOL OW21185 3.902 0.471 0.307 -0.1295 -0.1060 -0.5446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21188 6538SOL HW121186 3.973 0.420 0.355 -0.1786 -0.1642 -0.5342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21189 6538SOL HW221187 3.903 0.447 0.210 -0.7768 -0.8412 -0.3811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21190 6539SOL OW21188 5.337 1.245 1.079 -0.0233 -0.0878 -0.4185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21191 6539SOL HW121189 5.280 1.251 0.997 -1.0167 0.9542 0.3161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21192 6539SOL HW221190 5.280 1.223 1.158 1.0959 -2.3683 -0.1644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21193 6540SOL OW21191 3.987 0.506 1.228 0.0293 0.1727 0.2833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21194 6540SOL HW121192 4.029 0.423 1.263 -2.3472 -1.2939 -0.1365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21195 6540SOL HW221193 3.975 0.498 1.129 -1.0702 0.5717 0.3658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21196 6541SOL OW21194 4.440 1.598 0.534 0.3968 -0.2692 -0.1758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21197 6541SOL HW121195 4.411 1.668 0.469 -0.5609 -0.3971 0.0939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21198 6541SOL HW221196 4.375 1.522 0.532 1.5064 -1.2385 -0.5801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21199 6542SOL OW21197 4.876 0.250 0.761 0.5462 -0.1215 -0.1627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21200 6542SOL HW121198 4.873 0.296 0.850 1.3057 -2.6283 1.2584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21201 6542SOL HW221199 4.962 0.199 0.754 0.4655 -0.0234 -2.3486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21202 6543SOL OW21200 4.705 7.199 1.119 0.3365 0.5576 -0.4006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21203 6543SOL HW121201 4.697 7.124 1.053 1.9086 1.4504 -1.6860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21204 6543SOL HW221202 4.801 7.213 1.141 0.0711 2.2299 -0.2355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21205 6544SOL OW21203 4.523 1.283 0.412 0.2701 0.3048 -0.1824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21206 6544SOL HW121204 4.518 1.184 0.403 -1.0337 0.1716 1.4641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21207 6544SOL HW221205 4.580 1.306 0.491 -0.8956 0.7673 0.5536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21208 6545SOL OW21206 4.407 1.592 1.371 -0.6735 -0.4902 0.5350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21209 6545SOL HW121207 4.465 1.561 1.294 -1.4993 0.9926 -0.7408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21210 6545SOL HW221208 4.427 1.537 1.452 0.7439 -1.6448 -0.5456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21211 6546SOL OW21209 5.207 7.031 7.225 0.2053 -0.4341 0.3685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21212 6546SOL HW121210 5.269 7.027 7.303 -1.0862 1.6171 1.5719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21213 6546SOL HW221211 5.116 6.998 7.253 -0.6114 1.5188 0.1431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21214 6547SOL OW21212 4.837 0.318 0.505 -0.3123 0.4338 -0.1237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21215 6547SOL HW121213 4.748 0.362 0.494 -1.4105 -1.6954 -0.3074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21216 6547SOL HW221214 4.863 0.318 0.601 -0.4681 1.1234 -0.0761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21217 6548SOL OW21215 5.125 0.138 0.754 0.8159 0.0200 -1.0936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21218 6548SOL HW121216 5.176 0.168 0.673 1.3897 -0.0913 -0.7832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21219 6548SOL HW221217 5.063 0.064 0.729 1.7541 -0.7432 -1.2415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21220 6549SOL OW21218 3.678 0.995 0.287 0.3718 0.3853 -0.1960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21221 6549SOL HW121219 3.770 0.963 0.267 -0.4319 -1.4553 -1.2771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21222 6549SOL HW221220 3.643 0.947 0.368 0.3830 1.1244 0.2522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21223 6550SOL OW21221 4.456 1.709 0.148 -0.3525 1.2889 -0.1064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21224 6550SOL HW121222 4.546 1.745 0.125 -1.1819 2.3787 -1.8809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21225 6550SOL HW221223 4.421 1.755 0.229 -0.2799 2.6303 -0.8060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21226 6551SOL OW21224 3.798 0.676 1.944 0.2857 -0.0368 -0.3594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21227 6551SOL HW121225 3.780 0.691 2.041 -1.7258 -1.1015 -0.5158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21228 6551SOL HW221226 3.712 0.662 1.896 1.3196 -0.7939 -2.0992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21229 6552SOL OW21227 3.956 0.368 2.685 0.4812 -0.5471 0.8011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21230 6552SOL HW121228 4.041 0.329 2.649 0.4474 2.3622 -3.0728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21231 6552SOL HW221229 3.886 0.297 2.691 2.4035 -2.4822 1.6233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21232 6553SOL OW21230 3.591 0.448 2.330 0.2965 -0.1339 -0.6058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21233 6553SOL HW121231 3.616 0.483 2.420 -1.5176 -0.3528 0.0264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21234 6553SOL HW221232 3.507 0.493 2.299 0.4741 -0.6216 -1.8513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21235 6554SOL OW21233 4.350 1.531 2.957 0.8423 0.2921 0.2498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21236 6554SOL HW121234 4.258 1.538 2.918 0.2191 -0.1124 1.6199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21237 6554SOL HW221235 4.415 1.570 2.892 -0.3437 1.0828 -0.5200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21238 6555SOL OW21236 5.325 1.515 2.524 0.3464 0.2172 0.9297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21239 6555SOL HW121237 5.252 1.495 2.589 -1.5462 -1.4909 -1.5381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21240 6555SOL HW221238 5.295 1.585 2.460 1.1796 0.0421 0.3291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21241 6556SOL OW21239 4.683 0.731 2.384 0.3689 -0.3939 0.2551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21242 6556SOL HW121240 4.704 0.783 2.467 0.6080 0.1848 -0.1588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21243 6556SOL HW221241 4.624 0.654 2.407 1.3909 -0.9350 1.1557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21244 6557SOL OW21242 5.497 0.561 2.100 -0.1862 0.4145 0.3125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21245 6557SOL HW121243 5.439 0.540 2.179 -1.1157 1.8644 0.0545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21246 6557SOL HW221244 5.447 0.541 2.016 0.7328 -0.9412 0.0590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21247 6558SOL OW21245 4.381 1.241 2.996 -0.2524 -0.0490 -0.5141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21248 6558SOL HW121246 4.312 1.312 3.009 -0.6246 -0.3050 -1.0576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21249 6558SOL HW221247 4.435 1.262 2.914 1.3959 1.0064 0.7723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21250 6559SOL OW21248 4.653 0.491 3.669 0.1290 0.1901 -0.3574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21251 6559SOL HW121249 4.718 0.429 3.713 -1.9447 -1.3350 0.7550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21252 6559SOL HW221250 4.609 0.548 3.739 0.3760 1.3493 -1.1142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21253 6560SOL OW21251 4.339 0.917 2.524 -0.3100 0.1220 0.0049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21254 6560SOL HW121252 4.402 0.936 2.599 -0.8852 0.8015 0.3188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21255 6560SOL HW221253 4.254 0.967 2.537 -0.7190 -0.3661 -0.6975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21256 6561SOL OW21254 4.291 1.190 3.569 -0.3855 0.7070 -0.6923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21257 6561SOL HW121255 4.328 1.281 3.590 -0.8573 0.8568 -0.4668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21258 6561SOL HW221256 4.244 1.155 3.651 -1.2738 0.7989 -1.1500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21259 6562SOL OW21257 4.142 1.330 2.849 -0.4041 -0.2464 0.4142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21260 6562SOL HW121258 4.044 1.329 2.870 -0.1136 -0.5299 1.8648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21261 6562SOL HW221259 4.155 1.347 2.752 -1.8791 0.4495 0.3094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21262 6563SOL OW21260 5.090 1.463 3.239 -0.0657 -0.0337 -0.1331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21263 6563SOL HW121261 5.183 1.483 3.272 -0.2456 -0.8485 0.9430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21264 6563SOL HW221262 5.029 1.454 3.318 -0.9784 0.1000 -0.8189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21265 6564SOL OW21263 4.248 0.297 3.294 0.7063 -0.0605 0.0530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21266 6564SOL HW121264 4.275 0.227 3.359 0.7229 0.1777 0.3055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21267 6564SOL HW221265 4.219 0.379 3.343 -1.0037 -0.4822 -0.1862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21268 6565SOL OW21266 5.368 0.522 2.549 0.2047 -0.1244 -0.1095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21269 6565SOL HW121267 5.465 0.501 2.551 0.5391 0.8462 -2.4305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21270 6565SOL HW221268 5.355 0.619 2.528 -1.0559 -1.1423 -5.5123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21271 6566SOL OW21269 3.843 1.543 2.395 0.5880 0.4909 -0.2389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21272 6566SOL HW121270 3.853 1.621 2.456 0.5604 0.2620 0.0644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21273 6566SOL HW221271 3.919 1.541 2.330 1.0910 0.2491 0.3497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21274 6567SOL OW21272 4.684 1.386 3.658 0.6581 0.2983 0.5827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21275 6567SOL HW121273 4.746 1.359 3.731 0.5316 2.3686 1.5281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21276 6567SOL HW221274 4.638 1.305 3.622 1.2946 -0.8704 2.2678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21277 6568SOL OW21275 3.913 1.302 2.532 0.0216 -0.0895 0.6821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21278 6568SOL HW121276 3.862 1.380 2.496 0.1564 -0.7231 -0.9985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21279 6568SOL HW221277 3.849 1.233 2.565 -0.1584 -0.1097 0.2959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21280 6569SOL OW21278 4.018 1.040 2.815 -0.2394 0.0577 -0.3679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21281 6569SOL HW121279 4.085 1.005 2.880 -0.1989 -0.6742 -0.7912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21282 6569SOL HW221280 3.974 1.122 2.853 -0.3545 -0.4639 0.6476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21283 6570SOL OW21281 4.166 1.903 3.288 -0.6704 -0.3999 -0.7519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21284 6570SOL HW121282 4.110 1.936 3.213 0.2336 -0.5405 -1.5087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21285 6570SOL HW221283 4.252 1.954 3.291 -0.5775 -0.5903 0.0025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21286 6571SOL OW21284 4.302 0.903 2.102 0.1373 0.2566 0.3146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21287 6571SOL HW121285 4.327 0.932 2.010 -0.1308 -1.3640 -0.2877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21288 6571SOL HW221286 4.377 0.927 2.165 0.5046 0.9981 -0.3805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21289 6572SOL OW21287 5.238 0.016 3.080 0.2811 0.0298 0.2094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21290 6572SOL HW121288 5.191 -0.021 3.000 0.9686 -0.3340 -0.0328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21291 6572SOL HW221289 5.198 0.105 3.104 1.3051 1.0909 -1.7516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21292 6573SOL OW21290 3.781 0.678 2.239 0.2627 -0.2460 -0.2094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21293 6573SOL HW121291 3.719 0.619 2.290 1.0733 0.4350 1.6425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21294 6573SOL HW221292 3.802 0.760 2.293 1.3751 0.3864 -1.5315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21295 6574SOL OW21293 5.524 1.911 2.055 -0.2545 0.3226 -0.0046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21296 6574SOL HW121294 5.562 1.861 2.133 -0.7165 -0.0629 -0.0206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21297 6574SOL HW221295 5.543 2.008 2.065 0.8027 0.1372 -0.0491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21298 6575SOL OW21296 3.729 1.471 2.002 0.1083 0.1194 0.0583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21299 6575SOL HW121297 3.643 1.426 1.978 -0.8497 0.8271 1.9443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21300 6575SOL HW221298 3.711 1.547 2.064 1.8069 2.3521 -2.0081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21301 6576SOL OW21299 5.463 1.019 2.576 -0.2686 0.0998 -0.0352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21302 6576SOL HW121300 5.538 0.988 2.518 2.1055 1.1131 2.2792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21303 6576SOL HW221301 5.446 1.116 2.559 -2.5622 -0.5344 -1.9594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21304 6577SOL OW21302 5.452 0.957 2.228 -0.0168 -0.3104 0.1029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21305 6577SOL HW121303 5.528 0.928 2.286 -0.3981 -0.4953 0.5197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21306 6577SOL HW221304 5.365 0.926 2.268 -0.3543 0.3923 -0.0610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21307 6578SOL OW21305 3.769 0.699 3.341 -0.3878 -1.0827 -0.1870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21308 6578SOL HW121306 3.845 0.742 3.389 0.3659 -0.1819 -2.0561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21309 6578SOL HW221307 3.692 0.763 3.337 0.3351 -0.2194 -1.9803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21310 6579SOL OW21308 4.338 1.267 2.534 -0.3711 0.2897 -0.3949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21311 6579SOL HW121309 4.278 1.188 2.540 -0.7675 0.3757 -2.4797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21312 6579SOL HW221310 4.353 1.290 2.438 0.7391 1.9897 0.1436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21313 6580SOL OW21311 4.893 1.217 3.253 0.1861 0.3390 -0.5921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21314 6580SOL HW121312 4.884 1.235 3.155 -0.9806 0.9320 -0.3864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21315 6580SOL HW221313 4.816 1.160 3.284 1.5416 -1.4848 -0.3724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21316 6581SOL OW21314 4.581 0.128 2.535 -0.2694 0.1041 0.0652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21317 6581SOL HW121315 4.633 0.160 2.456 -0.6520 -0.6283 -0.4936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21318 6581SOL HW221316 4.484 0.127 2.513 -0.3398 -0.5480 0.3823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21319 6582SOL OW21317 3.888 1.273 2.928 0.2078 0.6565 0.3511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21320 6582SOL HW121318 3.811 1.279 2.865 1.6476 2.2161 -1.3923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21321 6582SOL HW221319 3.857 1.240 3.017 -2.0203 -1.0364 -0.9688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21322 6583SOL OW21320 5.357 0.926 1.961 0.6018 -0.4188 0.3582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21323 6583SOL HW121321 5.275 0.896 2.011 1.0347 -0.0330 1.3374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21324 6583SOL HW221322 5.438 0.912 2.018 0.9840 1.1598 0.2580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21325 6584SOL OW21323 4.725 1.663 3.561 0.3860 -0.5393 -0.2426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21326 6584SOL HW121324 4.769 1.609 3.489 -1.1011 -1.7077 -0.3152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21327 6584SOL HW221325 4.748 1.624 3.650 0.4156 -0.4504 -0.2112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21328 6585SOL OW21326 4.128 0.466 3.485 0.4500 0.2375 -0.1775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21329 6585SOL HW121327 4.165 0.546 3.533 0.5858 -1.1970 2.2400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21330 6585SOL HW221328 4.032 0.455 3.509 0.2355 0.0472 -1.0801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21331 6586SOL OW21329 5.142 1.484 2.703 -0.5277 -0.6425 0.9586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21332 6586SOL HW121330 5.073 1.557 2.708 0.2578 0.3567 -1.2797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21333 6586SOL HW221331 5.098 1.398 2.678 -1.0792 -0.1643 0.2245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21334 6587SOL OW21332 5.353 1.993 2.368 -0.5262 0.0243 0.1844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21335 6587SOL HW121333 5.328 1.907 2.324 -1.6429 -0.5426 1.8482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21336 6587SOL HW221334 5.400 1.975 2.454 1.8129 1.1112 -0.7784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21337 6588SOL OW21335 4.194 0.635 2.086 -0.1336 0.4445 -0.5767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21338 6588SOL HW121336 4.219 0.731 2.088 1.5278 0.0735 -1.5862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21339 6588SOL HW221337 4.165 0.606 2.178 2.4641 1.1610 0.5446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21340 6589SOL OW21338 4.950 0.502 2.600 0.0136 0.3135 -0.2851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21341 6589SOL HW121339 4.859 0.525 2.636 -0.2002 1.1752 -1.3148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21342 6589SOL HW221340 4.998 0.445 2.666 -1.5805 -0.8461 -0.0587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21343 6590SOL OW21341 5.278 1.802 2.127 -0.4791 0.0473 -0.2802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21344 6590SOL HW121342 5.368 1.834 2.096 -0.0589 -0.0399 0.8088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21345 6590SOL HW221343 5.250 1.723 2.072 1.9391 -2.4664 1.7609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21346 6591SOL OW21344 4.419 0.616 3.298 0.2819 -0.0772 0.2715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21347 6591SOL HW121345 4.448 0.549 3.366 1.2211 -0.7035 -0.7049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21348 6591SOL HW221346 4.381 0.568 3.219 0.6591 0.5614 -0.3012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21349 6592SOL OW21347 4.976 0.291 3.361 0.6613 0.4463 -0.4203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21350 6592SOL HW121348 4.902 0.350 3.393 0.3100 0.0576 -0.4958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21351 6592SOL HW221349 5.006 0.232 3.436 0.2510 -0.0445 -0.6346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21352 6593SOL OW21350 4.665 1.057 3.326 -0.8972 0.3411 -0.6188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21353 6593SOL HW121351 4.663 0.964 3.290 -0.5948 -0.1567 0.5934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21354 6593SOL HW221352 4.578 1.102 3.308 -0.6837 0.2021 -2.1339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21355 6594SOL OW21353 4.691 0.570 2.985 0.2921 0.9089 0.4496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21356 6594SOL HW121354 4.756 0.596 3.056 0.6853 0.8421 0.1180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21357 6594SOL HW221355 4.731 0.498 2.929 -0.3881 0.3074 0.7357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21358 6595SOL OW21356 4.684 0.675 2.124 -0.0491 -0.1212 0.5447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21359 6595SOL HW121357 4.698 0.677 2.223 0.3549 -1.7763 0.5518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21360 6595SOL HW221358 4.589 0.650 2.104 -0.4129 1.2163 0.4881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21361 6596SOL OW21359 3.795 0.889 2.420 -0.0034 -0.4320 0.4297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21362 6596SOL HW121360 3.832 0.856 2.507 -0.2994 0.4192 0.8846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21363 6596SOL HW221361 3.853 0.961 2.383 -0.0162 -0.6134 0.0417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21364 6597SOL OW21362 4.529 0.221 2.053 -0.2268 -0.6109 -0.0173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21365 6597SOL HW121363 4.557 0.239 1.958 0.6182 -2.5243 -0.1654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21366 6597SOL HW221364 4.454 0.155 2.053 -1.2006 0.4438 0.6321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21367 6598SOL OW21365 5.281 0.640 3.570 -0.1882 0.1274 -0.3474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21368 6598SOL HW121366 5.337 0.698 3.511 1.0860 -1.2376 -0.5386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21369 6598SOL HW221367 5.272 0.550 3.529 -1.1165 -0.1981 0.5239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21370 6599SOL OW21368 5.209 1.194 2.380 0.1217 -0.0786 0.4362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21371 6599SOL HW121369 5.306 1.217 2.381 0.2317 -0.5635 1.2607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21372 6599SOL HW221370 5.160 1.260 2.323 0.9680 0.0002 -0.2281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21373 6600SOL OW21371 4.194 0.187 2.670 0.7656 -0.3097 0.3917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21374 6600SOL HW121372 4.249 0.197 2.752 0.7459 -0.1664 0.3876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21375 6600SOL HW221373 4.250 0.207 2.589 1.0413 -1.3728 0.3066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21376 6601SOL OW21374 4.785 1.402 2.351 -0.1191 -0.0823 -0.3472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21377 6601SOL HW121375 4.750 1.380 2.260 0.6244 0.3496 -0.7472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21378 6601SOL HW221376 4.717 1.456 2.401 -0.4244 -0.1006 -0.7384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21379 6602SOL OW21377 4.055 1.626 2.788 0.3495 0.1040 -0.4575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21380 6602SOL HW121378 4.064 1.580 2.699 2.0185 -2.3367 0.8524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21381 6602SOL HW221379 4.112 1.708 2.788 0.3526 0.1219 -1.6152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21382 6603SOL OW21380 5.429 0.947 2.832 0.1931 0.3108 0.5084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21383 6603SOL HW121381 5.452 1.000 2.750 0.5596 1.5144 1.3697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21384 6603SOL HW221382 5.378 1.004 2.896 -2.0331 -1.2424 0.2334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21385 6604SOL OW21383 4.836 1.436 3.443 -0.1271 -0.2541 -0.1019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21386 6604SOL HW121384 4.789 1.409 3.527 -2.4771 1.2584 -0.8203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21387 6604SOL HW221385 4.852 1.354 3.387 -3.4274 -0.8263 -0.4700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21388 6605SOL OW21386 4.035 0.898 2.096 0.6005 -0.2141 0.5008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21389 6605SOL HW121387 4.134 0.905 2.107 0.4035 0.7919 2.1430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21390 6605SOL HW221388 4.011 0.901 1.999 2.2772 -2.7628 -0.0837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21391 6606SOL OW21389 5.297 0.783 2.529 0.4239 0.0617 -0.0528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21392 6606SOL HW121390 5.257 0.755 2.616 -0.0258 -0.0971 -0.3131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21393 6606SOL HW221391 5.364 0.856 2.546 0.5879 -0.2036 0.4618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21394 6607SOL OW21392 4.260 1.362 3.333 0.0109 0.1994 -0.3949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21395 6607SOL HW121393 4.165 1.378 3.305 -0.1325 0.4662 0.2397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21396 6607SOL HW221394 4.267 1.365 3.432 0.7386 0.5035 -0.4458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21397 6608SOL OW21395 4.798 1.720 2.135 0.0538 0.0608 0.1553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21398 6608SOL HW121396 4.699 1.725 2.142 0.0342 -0.2086 0.0578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21399 6608SOL HW221397 4.831 1.643 2.189 0.1541 -0.2574 -0.3576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21400 6609SOL OW21398 3.596 0.354 3.330 0.6858 -0.0656 1.1086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21401 6609SOL HW121399 3.567 0.380 3.238 -0.2986 -0.3873 1.3168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21402 6609SOL HW221400 3.673 0.291 3.324 1.1798 0.5735 0.5342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21403 6610SOL OW21401 5.257 1.319 1.785 0.4723 0.8076 -0.1749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21404 6610SOL HW121402 5.180 1.376 1.757 -1.0251 -0.2928 1.4961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21405 6610SOL HW221403 5.230 1.261 1.862 2.6285 -0.5012 -0.3112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21406 6611SOL OW21404 4.073 1.554 2.224 -0.1154 0.2690 0.0159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21407 6611SOL HW121405 4.101 1.642 2.262 -0.0076 -0.0893 0.7846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21408 6611SOL HW221406 4.135 1.529 2.150 -1.0885 1.5815 -1.3084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21409 6612SOL OW21407 5.055 0.055 2.119 0.5223 0.2525 -0.4606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21410 6612SOL HW121408 5.075 -0.031 2.072 2.9868 0.0576 0.8060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21411 6612SOL HW221409 5.138 0.111 2.124 -0.7748 2.2660 -0.3334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21412 6613SOL OW21410 3.859 1.787 3.075 -0.0955 -0.1739 -0.5261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21413 6613SOL HW121411 3.846 1.770 2.977 -0.8140 0.8557 -0.6243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21414 6613SOL HW221412 3.916 1.868 3.088 -0.9871 0.4005 -0.1103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21415 6614SOL OW21413 4.780 1.519 2.677 0.2302 -0.5020 0.1008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21416 6614SOL HW121414 4.845 1.573 2.731 -0.4170 -0.3600 0.7596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21417 6614SOL HW221415 4.817 1.428 2.661 1.4202 0.1593 -1.1751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21418 6615SOL OW21416 4.083 0.519 2.310 0.4029 -0.3734 -0.0708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21419 6615SOL HW121417 4.068 0.422 2.291 -0.7713 -0.1863 -0.1656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21420 6615SOL HW221418 4.000 0.571 2.287 0.5482 0.4694 1.2296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21421 6616SOL OW21419 5.115 0.206 3.606 -0.3474 0.0400 0.4993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21422 6616SOL HW121420 5.071 0.260 3.678 1.8351 -0.5194 2.3807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21423 6616SOL HW221421 5.156 0.124 3.646 0.6939 -0.4642 -1.4528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21424 6617SOL OW21422 4.346 0.026 1.762 0.3065 -0.6508 0.5673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21425 6617SOL HW121423 4.371 -0.070 1.754 0.9882 -0.4324 0.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21426 6617SOL HW221424 4.264 0.044 1.706 -0.0845 -1.0156 1.0143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21427 6618SOL OW21425 4.320 0.106 3.489 0.0920 0.6284 0.1113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21428 6618SOL HW121426 4.390 0.098 3.560 -0.0294 1.8364 0.3956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21429 6618SOL HW221427 4.234 0.069 3.523 1.0036 -2.8029 -0.9661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21430 6619SOL OW21428 4.710 1.617 2.974 0.2809 0.0675 -0.1595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21431 6619SOL HW121429 4.638 1.625 2.905 -0.6583 1.6559 0.9204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21432 6619SOL HW221430 4.687 1.543 3.037 0.4152 -0.4596 -0.7201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21433 6620SOL OW21431 4.854 0.607 3.187 0.6634 0.0717 0.5494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21434 6620SOL HW121432 4.839 0.564 3.276 -0.2055 -0.8510 -0.0128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21435 6620SOL HW221433 4.916 0.684 3.197 -2.7004 2.7749 2.6880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21436 6621SOL OW21434 4.509 1.283 2.746 0.1101 0.0616 0.1352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21437 6621SOL HW121435 4.585 1.344 2.724 -0.1241 0.4726 0.4531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21438 6621SOL HW221436 4.441 1.286 2.673 0.4457 -0.3891 -0.2013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21439 6622SOL OW21437 4.460 0.523 2.635 -0.0545 -0.3518 0.1024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21440 6622SOL HW121438 4.408 0.501 2.552 -0.3592 -1.0136 0.4628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21441 6622SOL HW221439 4.494 0.439 2.676 0.0105 -0.0325 0.7071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21442 6623SOL OW21440 4.174 7.250 2.292 -0.3109 -0.0512 -0.3011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21443 6623SOL HW121441 4.133 7.163 2.318 -1.7644 0.8094 0.3920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21444 6623SOL HW221442 4.227 7.238 2.208 -0.4062 -1.6095 -0.1627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21445 6624SOL OW21443 5.131 1.141 1.955 0.6748 0.2462 0.3940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21446 6624SOL HW121444 5.169 1.050 1.968 0.7328 0.1873 -0.1389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21447 6624SOL HW221445 5.075 1.166 2.033 -0.0954 -0.6229 0.1283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21448 6625SOL OW21446 4.004 0.036 2.010 0.5602 0.1618 1.0203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21449 6625SOL HW121447 4.040 0.120 2.050 -0.8220 0.6402 1.3136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21450 6625SOL HW221448 4.003 0.045 1.910 -2.1037 1.6647 1.0808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21451 6626SOL OW21449 4.663 0.258 2.305 0.1869 0.0017 0.2584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21452 6626SOL HW121450 4.635 0.213 2.221 0.7579 0.9724 -0.4714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21453 6626SOL HW221451 4.761 0.277 2.302 0.8761 -2.5083 2.3625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21454 6627SOL OW21452 4.613 0.802 3.226 -1.1232 -0.1251 0.8304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21455 6627SOL HW121453 4.539 0.744 3.258 -2.6545 0.8572 -0.7348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21456 6627SOL HW221454 4.681 0.746 3.178 -1.8156 -0.8272 0.6491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21457 6628SOL OW21455 5.132 1.807 2.929 -0.2549 0.3084 0.0515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21458 6628SOL HW121456 5.083 1.882 2.974 1.1476 0.5225 1.3097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21459 6628SOL HW221457 5.227 1.834 2.915 -0.4107 -0.1437 -2.2002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21460 6629SOL OW21458 4.122 1.065 2.556 0.1581 0.4344 -0.2816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21461 6629SOL HW121459 4.083 1.054 2.647 -0.4128 0.7608 -0.4743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21462 6629SOL HW221460 4.056 1.114 2.498 0.9368 1.1671 -0.5703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21463 6630SOL OW21461 5.016 1.851 2.447 0.1198 0.1644 -0.3563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21464 6630SOL HW121462 5.034 1.946 2.473 0.7572 -0.5240 1.9522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21465 6630SOL HW221463 4.917 1.839 2.433 -0.1559 0.8737 0.7810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21466 6631SOL OW21464 4.821 0.315 1.846 0.0813 0.3928 0.3302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21467 6631SOL HW121465 4.766 0.334 1.765 -2.3989 0.9757 2.0648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21468 6631SOL HW221466 4.831 0.399 1.900 1.3064 -0.0913 0.8993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21469 6632SOL OW21467 3.781 0.658 3.050 -0.2978 -0.0342 -0.2284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21470 6632SOL HW121468 3.868 0.618 3.020 -0.9993 -1.0471 -0.9822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21471 6632SOL HW221469 3.782 0.668 3.150 0.5049 -0.4823 -0.1784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21472 6633SOL OW21470 4.335 0.238 2.906 0.2718 0.3446 0.2314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21473 6633SOL HW121471 4.359 0.155 2.957 0.1096 -0.7867 -1.4415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21474 6633SOL HW221472 4.285 0.301 2.965 0.0160 -0.9353 1.4221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21475 6634SOL OW21473 4.460 0.449 2.338 0.0340 -0.0339 0.3452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21476 6634SOL HW121474 4.437 0.474 2.244 0.8068 0.6069 0.3160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21477 6634SOL HW221475 4.541 0.390 2.338 0.7947 0.9757 0.6625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21478 6635SOL OW21476 4.547 0.290 2.744 -0.3130 -0.7161 -0.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21479 6635SOL HW121477 4.488 0.253 2.816 -0.2635 -0.1040 0.2235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21480 6635SOL HW221478 4.563 0.220 2.675 -0.6053 -1.2208 0.2964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21481 6636SOL OW21479 5.089 1.214 2.656 0.0402 -0.2881 0.0226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21482 6636SOL HW121480 5.048 1.128 2.688 -0.5817 -0.0431 -0.0965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21483 6636SOL HW221481 5.143 1.196 2.574 -2.6969 -0.1279 -1.9720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21484 6637SOL OW21482 5.142 0.721 2.763 -0.4991 0.8680 0.4670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21485 6637SOL HW121483 5.152 0.726 2.862 -0.6883 -0.5268 0.5786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21486 6637SOL HW221484 5.099 0.634 2.739 -0.9673 1.4312 -0.8051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21487 6638SOL OW21485 5.657 0.572 2.389 0.1788 -0.0453 0.1804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21488 6638SOL HW121486 5.664 0.557 2.487 0.1143 0.5246 0.2780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21489 6638SOL HW221487 5.668 0.485 2.341 -2.6990 -0.8443 0.7893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21490 6639SOL OW21488 4.117 1.224 1.928 0.0611 0.3460 0.6417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21491 6639SOL HW121489 4.032 1.218 1.980 -0.0298 0.8413 0.5540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21492 6639SOL HW221490 4.104 1.181 1.839 -0.0104 0.1692 0.7362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21493 6640SOL OW21491 5.461 1.301 2.445 0.0061 0.2259 -0.0792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21494 6640SOL HW121492 5.553 1.293 2.485 -0.0053 0.8223 0.0728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21495 6640SOL HW221493 5.417 1.383 2.480 -0.1063 0.6198 -1.1296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21496 6641SOL OW21494 5.135 0.654 1.908 0.1568 -0.4690 -0.4543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21497 6641SOL HW121495 5.042 0.621 1.927 -0.0744 -1.0493 -2.4336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21498 6641SOL HW221496 5.149 0.742 1.955 -0.0766 -2.0544 2.8504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21499 6642SOL OW21497 4.299 0.111 2.020 0.0536 -0.5400 0.0253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21500 6642SOL HW121498 4.311 0.072 1.929 2.7663 1.5201 -0.6424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21501 6642SOL HW221499 4.232 0.185 2.016 1.9043 1.1828 -0.9733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21502 6643SOL OW21500 5.379 1.234 3.417 0.2511 -0.2401 -0.2800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21503 6643SOL HW121501 5.411 1.143 3.444 -0.2519 -0.7344 -1.3321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21504 6643SOL HW221502 5.453 1.300 3.430 1.5955 -1.2754 -2.1887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21505 6644SOL OW21503 4.680 1.379 3.109 0.0841 -0.2686 -0.2368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21506 6644SOL HW121504 4.623 1.302 3.136 -1.1875 0.7202 -0.0083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21507 6644SOL HW221505 4.740 1.405 3.185 -0.3075 -0.3102 0.0899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21508 6645SOL OW21506 5.360 1.569 3.642 0.2749 -0.2489 0.1654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21509 6645SOL HW121507 5.333 1.563 3.546 -0.3463 1.1085 0.2264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21510 6645SOL HW221508 5.384 1.478 3.676 0.1289 -0.8030 -1.1620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21511 6646SOL OW21509 4.760 1.187 2.937 -0.6414 0.3022 -0.4512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21512 6646SOL HW121510 4.697 1.261 2.958 0.0925 1.6225 -2.5452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21513 6646SOL HW221511 4.774 1.181 2.838 0.1566 -1.9660 -0.2785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21514 6647SOL OW21512 5.234 1.043 2.996 0.0251 -0.2805 0.4730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21515 6647SOL HW121513 5.231 1.142 3.007 -0.1114 -0.1898 -0.3595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21516 6647SOL HW221514 5.141 1.007 2.989 0.0976 -0.3321 -0.3231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21517 6648SOL OW21515 4.707 0.149 3.303 -0.3134 0.0270 0.3141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21518 6648SOL HW121516 4.754 0.126 3.218 0.1627 1.0304 0.2966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21519 6648SOL HW221517 4.642 0.223 3.287 0.3126 0.7380 0.9551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21520 6649SOL OW21518 4.598 1.151 3.572 0.2479 0.2815 -0.3802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21521 6649SOL HW121519 4.500 1.128 3.578 0.6947 -1.6095 0.3986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21522 6649SOL HW221520 4.638 1.105 3.493 0.1108 2.8972 -2.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21523 6650SOL OW21521 4.514 0.941 2.278 0.1283 0.5123 0.0617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21524 6650SOL HW121522 4.479 0.981 2.363 -0.1007 -0.4079 0.4140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21525 6650SOL HW221523 4.572 0.862 2.299 0.6818 0.7283 -0.6102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21526 6651SOL OW21524 4.049 0.942 3.222 0.0286 0.1375 0.1642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21527 6651SOL HW121525 4.133 0.951 3.276 -0.6768 0.9234 1.1554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21528 6651SOL HW221526 3.975 0.909 3.280 -0.4459 -0.1702 -0.6100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21529 6652SOL OW21527 5.083 0.524 3.049 -0.4085 0.7038 -0.0840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21530 6652SOL HW121528 5.150 0.583 3.094 -0.8160 -1.4439 3.8163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21531 6652SOL HW221529 4.992 0.542 3.086 -0.9082 -0.7427 -0.5458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21532 6653SOL OW21530 3.768 1.525 3.187 0.2361 0.3257 -0.1072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21533 6653SOL HW121531 3.776 1.608 3.132 0.4748 -0.2765 -1.0015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21534 6653SOL HW221532 3.846 1.466 3.170 -1.7235 -1.8350 -2.5118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21535 6654SOL OW21533 3.952 1.068 2.309 0.0716 0.2154 -0.7220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21536 6654SOL HW121534 3.904 1.124 2.241 -1.6932 -0.9567 -0.4909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21537 6654SOL HW221535 4.013 1.004 2.262 1.5942 1.7939 -1.0110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21538 6655SOL OW21536 4.303 0.211 2.433 0.0576 -0.5730 0.1214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21539 6655SOL HW121537 4.345 0.274 2.369 0.3847 -0.5329 0.3743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21540 6655SOL HW221538 4.241 0.149 2.384 -0.2481 -0.0694 -0.1275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21541 6656SOL OW21539 5.068 1.411 2.320 -0.4126 -0.1740 0.1225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21542 6656SOL HW121540 5.106 1.504 2.325 -0.9545 0.1181 -0.8479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21543 6656SOL HW221541 4.975 1.411 2.356 -0.6965 -0.1635 -0.5916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21544 6657SOL OW21542 4.933 1.666 2.829 0.1458 0.3459 0.0364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21545 6657SOL HW121543 5.006 1.729 2.857 0.7779 -0.1428 -0.4571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21546 6657SOL HW221544 4.873 1.648 2.906 -0.9240 2.6795 -0.1519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21547 6658SOL OW21545 5.264 0.480 2.275 0.1624 -0.5990 -0.1488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21548 6658SOL HW121546 5.170 0.511 2.287 -0.1825 -1.9124 0.7542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21549 6658SOL HW221547 5.313 0.485 2.362 1.3116 1.1489 -0.8355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21550 6659SOL OW21548 4.056 1.374 3.139 0.5890 -0.2492 -0.0028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21551 6659SOL HW121549 4.067 1.338 3.046 3.5110 -1.9803 0.8862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21552 6659SOL HW221550 4.107 1.460 3.147 0.5707 -0.2475 0.0872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21553 6660SOL OW21551 4.259 0.752 3.451 0.2917 -0.0183 -0.0355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21554 6660SOL HW121552 4.254 0.842 3.407 1.3494 -1.3840 -3.2638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21555 6660SOL HW221553 4.337 0.701 3.414 -0.0934 -2.1925 1.9145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21556 6661SOL OW21554 5.330 0.849 3.406 0.5700 0.1684 -0.7207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21557 6661SOL HW121555 5.275 0.932 3.391 1.5719 0.9544 -0.1682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21558 6661SOL HW221556 5.396 0.839 3.331 1.4883 0.7446 -0.0121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21559 6662SOL OW21557 4.533 0.061 3.652 -0.1995 0.0941 -0.4273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21560 6662SOL HW121558 4.610 0.101 3.701 0.7585 -0.1744 -1.6652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21561 6662SOL HW221559 4.567 0.002 3.578 -1.5598 0.7969 -1.6667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21562 6663SOL OW21560 4.052 0.153 3.621 0.1183 0.8983 -0.2980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21563 6663SOL HW121561 3.957 0.124 3.626 0.3122 -0.0091 -1.3504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21564 6663SOL HW221562 4.057 0.243 3.578 -0.2471 0.7913 -0.5701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21565 6664SOL OW21563 4.237 0.975 3.014 -0.3848 0.2365 0.4703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21566 6664SOL HW121564 4.281 1.063 2.994 -1.0841 0.9101 1.7510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21567 6664SOL HW221565 4.155 0.991 3.069 -2.0207 -1.0205 -1.4701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21568 6665SOL OW21566 5.024 0.956 2.713 -0.1975 -0.3739 -0.1565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21569 6665SOL HW121567 4.943 0.949 2.654 0.2708 0.0774 -0.8573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21570 6665SOL HW221568 5.069 0.867 2.717 0.8651 0.0262 -2.0817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21571 6666SOL OW21569 4.899 0.549 2.029 -0.0063 0.3497 0.0973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21572 6666SOL HW121570 4.926 0.494 2.108 0.4513 0.4613 0.0199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21573 6666SOL HW221571 4.823 0.608 2.055 0.4187 0.6935 0.5813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21574 6667SOL OW21572 4.098 0.337 3.069 0.1506 0.2145 0.4030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21575 6667SOL HW121573 4.149 0.300 3.146 0.8765 0.2208 -0.0679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21576 6667SOL HW221574 4.096 0.437 3.075 1.1752 0.2881 -0.1665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21577 6668SOL OW21575 3.496 1.583 3.231 -0.8669 0.2125 0.0669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21578 6668SOL HW121576 3.438 1.514 3.274 -2.1772 0.7872 -0.6905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21579 6668SOL HW221577 3.589 1.549 3.222 -1.2033 -0.9498 0.8515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21580 6669SOL OW21578 4.278 0.699 2.806 0.4409 -0.0903 0.5010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21581 6669SOL HW121579 4.364 0.673 2.763 -0.0691 0.4361 -0.9214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21582 6669SOL HW221580 4.202 0.663 2.751 -0.2463 -0.0090 1.3787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21583 6670SOL OW21581 5.444 1.027 3.591 -0.1498 -0.4827 0.0279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21584 6670SOL HW121582 5.429 0.953 3.525 0.0782 -0.3366 -0.1901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21585 6670SOL HW221583 5.382 1.015 3.669 -1.5241 0.2029 -0.9333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21586 6671SOL OW21584 3.820 7.230 2.382 -0.4486 0.0394 -0.5687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21587 6671SOL HW121585 3.814 7.329 2.392 0.0016 0.0338 -0.3082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21588 6671SOL HW221586 3.868 7.191 2.461 -1.7832 -0.5255 -0.0033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21589 6672SOL OW21587 5.204 0.265 2.101 0.0439 0.1744 -0.1741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21590 6672SOL HW121588 5.201 0.287 2.003 -2.1265 -0.1126 -0.2179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21591 6672SOL HW221589 5.249 0.340 2.150 0.9059 0.4522 -1.3348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21592 6673SOL OW21590 4.723 0.639 2.667 -0.1891 0.8693 0.0887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21593 6673SOL HW121591 4.726 0.739 2.659 -0.4435 1.0242 1.5099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21594 6673SOL HW221592 4.632 0.607 2.644 -0.8142 1.2529 1.8247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21595 6674SOL OW21593 4.409 1.410 3.660 -0.7522 0.0282 -0.0647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21596 6674SOL HW121594 4.405 1.480 3.588 -2.6147 -0.1316 -0.1691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21597 6674SOL HW221595 4.504 1.390 3.682 -0.0183 -0.8397 -3.4163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21598 6675SOL OW21596 5.588 1.387 3.490 -0.1213 0.0420 0.7784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21599 6675SOL HW121597 5.599 1.434 3.402 -0.6138 -1.4740 -0.1166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21600 6675SOL HW221598 5.640 1.436 3.559 0.1503 1.3673 -0.3105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21601 6676SOL OW21599 3.969 0.781 3.508 0.4671 -0.1925 -0.2073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21602 6676SOL HW121600 3.967 0.791 3.607 1.4581 0.7689 -0.2542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21603 6676SOL HW221601 4.065 0.776 3.478 0.2030 0.3118 -1.1706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21604 6677SOL OW21602 5.129 0.203 1.762 -0.2818 0.2605 -0.2941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21605 6677SOL HW121603 5.198 0.131 1.773 -0.0049 0.2867 -1.6011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21606 6677SOL HW221604 5.051 0.185 1.821 -0.5383 -1.5239 -1.1170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21607 6678SOL OW21605 4.908 0.853 1.732 -0.0634 0.4065 0.0678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21608 6678SOL HW121606 4.986 0.812 1.683 0.2962 0.1240 0.8574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21609 6678SOL HW221607 4.872 0.929 1.678 0.2869 0.0751 -0.6632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21610 6679SOL OW21608 4.818 1.242 2.607 0.0445 -0.2177 -0.4620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21611 6679SOL HW121609 4.911 1.235 2.643 0.1677 1.1143 -0.4704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21612 6679SOL HW221610 4.820 1.228 2.508 -0.0038 -1.7850 -0.2628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21613 6680SOL OW21611 3.822 0.877 2.711 -0.5731 -0.7948 0.5205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21614 6680SOL HW121612 3.876 0.957 2.739 -0.9310 1.2543 -3.7938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21615 6680SOL HW221613 3.883 0.799 2.696 0.2571 -0.3804 1.6057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21616 6681SOL OW21614 3.968 0.622 2.704 0.4491 -0.4015 -0.5529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21617 6681SOL HW121615 3.959 0.522 2.709 1.9447 -0.7466 -3.2189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21618 6681SOL HW221616 4.031 0.647 2.631 0.5107 2.5361 0.3594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21619 6682SOL OW21617 4.509 0.281 3.158 -0.5182 -0.2451 -0.2219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21620 6682SOL HW121618 4.434 0.285 3.224 1.8262 1.5407 2.5757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21621 6682SOL HW221619 4.508 0.363 3.102 0.7575 1.1552 1.6660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21622 6683SOL OW21620 5.123 0.252 3.143 -0.0964 -0.1003 0.2338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21623 6683SOL HW121621 5.062 0.235 3.221 -1.7845 -0.1094 -1.0476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21624 6683SOL HW221622 5.120 0.348 3.118 0.9023 0.0183 0.5225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21625 6684SOL OW21623 3.516 1.314 1.946 0.3654 0.5106 0.1631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21626 6684SOL HW121624 3.444 1.367 1.901 0.4390 -0.1015 -0.6928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21627 6684SOL HW221625 3.475 1.254 2.015 0.1160 0.5421 0.0423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21628 6685SOL OW21626 3.811 1.757 2.785 -0.1922 -0.2455 -0.2747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21629 6685SOL HW121627 3.741 1.693 2.755 -0.0205 0.1558 -1.6016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21630 6685SOL HW221628 3.895 1.708 2.806 -0.5339 -0.6093 0.2761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21631 6686SOL OW21629 4.125 1.460 2.556 0.0639 0.5966 -0.1159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21632 6686SOL HW121630 4.211 1.414 2.540 0.4294 0.7047 1.3890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21633 6686SOL HW221631 4.050 1.394 2.550 0.4606 0.0578 0.7627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21634 6687SOL OW21632 4.494 0.921 2.958 0.0563 -0.1944 -0.1870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21635 6687SOL HW121633 4.528 0.871 3.038 1.5411 1.7495 0.4624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21636 6687SOL HW221634 4.394 0.920 2.958 0.0308 -0.4663 1.5547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21637 6688SOL OW21635 3.618 0.787 2.875 0.4791 -0.3457 0.1592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21638 6688SOL HW121636 3.683 0.838 2.818 0.5012 1.5143 1.7472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21639 6688SOL HW221637 3.660 0.763 2.962 -0.5523 -0.1706 0.7293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21640 6689SOL OW21638 3.824 0.479 3.486 -0.4807 -0.0483 0.2620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21641 6689SOL HW121639 3.758 0.413 3.450 1.1769 -1.2364 -0.7761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21642 6689SOL HW221640 3.792 0.572 3.467 -3.0653 -0.4554 2.0862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21643 6690SOL OW21641 4.957 0.894 3.398 0.0966 0.2418 0.1683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21644 6690SOL HW121642 5.015 0.972 3.421 -1.5936 1.7173 -0.3585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21645 6690SOL HW221643 4.967 0.872 3.301 -1.2327 1.4551 -0.2844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21646 6691SOL OW21644 4.454 0.475 2.085 -0.0988 -0.2737 0.1785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21647 6691SOL HW121645 4.466 0.378 2.064 0.3678 -0.4037 1.0022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21648 6691SOL HW221646 4.381 0.513 2.027 1.7212 -0.3590 -2.3022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21649 6692SOL OW21647 5.445 0.533 3.224 -0.0149 -0.2691 0.1410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21650 6692SOL HW121648 5.440 0.447 3.274 -0.5333 -0.2110 0.1906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21651 6692SOL HW221649 5.447 0.514 3.125 -0.8494 -0.3138 0.1278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21652 6693SOL OW21650 4.002 1.569 3.464 -0.2255 -0.4377 -0.0291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21653 6693SOL HW121651 3.955 1.485 3.437 1.0983 -0.4272 -2.7505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21654 6693SOL HW221652 4.025 1.565 3.561 0.6698 -3.6566 -0.2746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21655 6694SOL OW21653 4.388 0.546 3.041 0.1172 -0.3482 0.0294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21656 6694SOL HW121654 4.487 0.552 3.029 0.2981 -1.5784 0.6606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21657 6694SOL HW221655 4.342 0.579 2.959 1.0040 1.3332 0.1575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21658 6695SOL OW21656 4.473 1.599 3.472 0.2067 0.1760 -0.1330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21659 6695SOL HW121657 4.477 1.624 3.375 0.5081 -0.6654 -0.3493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21660 6695SOL HW221658 4.548 1.644 3.521 0.7679 -0.3268 -0.5211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21661 6696SOL OW21659 4.042 0.569 1.871 0.3422 -0.0524 0.2340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21662 6696SOL HW121660 4.102 0.579 1.950 -0.1739 -1.7761 0.8862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21663 6696SOL HW221661 3.950 0.601 1.894 1.0350 3.3185 -0.9958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21664 6697SOL OW21662 3.571 1.168 3.257 -0.2600 -0.7095 -0.0520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21665 6697SOL HW121663 3.529 1.221 3.330 0.1590 -1.3420 0.6513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21666 6697SOL HW221664 3.664 1.202 3.240 -0.0941 -1.0387 0.2047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21667 6698SOL OW21665 4.961 0.999 2.970 -0.0224 -0.4458 -0.0367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21668 6698SOL HW121666 4.971 0.959 2.879 0.4296 0.1044 -0.2389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21669 6698SOL HW221667 4.888 1.067 2.969 0.4396 0.0631 -0.1803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21670 6699SOL OW21668 5.118 0.867 2.078 0.0111 0.0320 0.0591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21671 6699SOL HW121669 5.147 0.863 2.174 -0.2943 -0.5763 0.1334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21672 6699SOL HW221670 5.019 0.875 2.073 -0.3267 -3.0425 -0.1677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21673 6700SOL OW21671 5.447 1.648 3.038 -0.1475 0.2152 0.3894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21674 6700SOL HW121672 5.416 1.737 3.004 -0.8481 -0.0254 0.3629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21675 6700SOL HW221673 5.392 1.576 2.995 -2.5447 -0.0328 3.5066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21676 6701SOL OW21674 5.017 1.730 3.217 -0.1704 -0.3875 0.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21677 6701SOL HW121675 5.040 1.643 3.174 4.5480 2.0973 -3.3857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21678 6701SOL HW221676 5.095 1.761 3.272 0.1008 3.2568 -2.0626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21679 6702SOL OW21677 3.597 1.228 2.849 0.7930 -0.0704 -0.2043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21680 6702SOL HW121678 3.547 1.311 2.877 1.5905 0.4020 -0.1585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21681 6702SOL HW221679 3.535 1.149 2.854 -0.2203 0.6354 -1.0603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21682 6703SOL OW21680 5.383 7.252 2.047 0.2268 -0.0485 0.7698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21683 6703SOL HW121681 5.417 7.345 2.056 -1.1024 0.4444 0.9115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21684 6703SOL HW221682 5.339 7.223 2.132 1.8708 -1.3580 1.2381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21685 6704SOL OW21683 5.202 1.676 2.364 -0.1513 -0.1545 -0.3031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21686 6704SOL HW121684 5.235 1.729 2.286 0.6093 -0.8012 -0.4418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21687 6704SOL HW221685 5.144 1.733 2.421 0.3291 0.7089 -0.6518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21688 6705SOL OW21686 3.842 1.645 3.857 0.4132 -0.0005 0.3279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21689 6705SOL HW121687 3.837 1.714 3.930 0.5879 -0.5611 0.8791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21690 6705SOL HW221688 3.754 1.598 3.850 0.8083 -0.8972 1.1341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21691 6706SOL OW21689 5.128 0.908 2.355 -0.0171 0.0037 -0.1420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21692 6706SOL HW121690 5.172 0.850 2.423 0.4015 0.5010 0.0191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21693 6706SOL HW221691 5.153 1.004 2.372 0.6526 0.0713 -1.4087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21694 6707SOL OW21692 4.408 1.568 3.227 0.0186 0.6313 -0.1907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21695 6707SOL HW121693 4.350 1.503 3.276 1.9880 -0.7238 0.4380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21696 6707SOL HW221694 4.413 1.541 3.131 0.6380 -0.0138 0.0195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21697 6708SOL OW21695 4.209 1.487 2.004 0.2210 -0.0487 -0.0066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21698 6708SOL HW121696 4.196 1.554 1.931 -0.7856 -0.2333 -0.0087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21699 6708SOL HW221697 4.174 1.398 1.974 2.0809 -0.7565 -0.2361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21700 6709SOL OW21698 5.301 1.574 3.359 -0.2897 0.0905 0.1831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21701 6709SOL HW121699 5.394 1.585 3.324 -0.4529 -0.2759 -0.3960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21702 6709SOL HW221700 5.255 1.663 3.361 0.0411 0.2557 0.3688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21703 6710SOL OW21701 5.461 0.153 2.433 0.1885 0.1850 -0.7976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21704 6710SOL HW121702 5.437 0.063 2.397 1.8448 0.2540 -2.2447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21705 6710SOL HW221703 5.392 0.184 2.498 -1.2706 -1.3886 -1.5510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21706 6711SOL OW21704 3.798 0.239 2.397 0.1532 0.1639 0.2340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21707 6711SOL HW121705 3.763 0.319 2.348 0.3169 1.0504 1.5127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21708 6711SOL HW221706 3.754 0.234 2.487 0.4469 -0.9593 0.3183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21709 6712SOL OW21707 4.984 1.448 1.815 0.2860 0.2992 -0.0493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21710 6712SOL HW121708 4.939 1.359 1.827 -0.9049 0.8731 -0.1287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21711 6712SOL HW221709 4.918 1.514 1.781 0.6868 1.6873 1.7163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21712 6713SOL OW21710 4.442 1.189 3.246 -0.2890 0.1304 -0.0075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21713 6713SOL HW121711 4.412 1.175 3.152 -0.6937 -0.7735 0.2418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21714 6713SOL HW221712 4.387 1.261 3.289 -1.3126 -0.6779 0.0737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21715 6714SOL OW21713 4.882 1.049 2.385 -0.4552 0.4312 0.9078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21716 6714SOL HW121714 4.869 1.097 2.298 -0.5802 -0.1016 0.6301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21717 6714SOL HW221715 4.956 0.982 2.375 0.1546 1.0022 1.4764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21718 6715SOL OW21716 5.168 1.627 1.956 0.1029 0.4097 0.1296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21719 6715SOL HW121717 5.094 1.560 1.942 -0.5221 0.9526 0.7501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21720 6715SOL HW221718 5.222 1.634 1.873 -0.2288 -0.3823 -0.1669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21721 6716SOL OW21719 3.834 1.180 3.199 0.0544 -0.2024 0.8615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21722 6716SOL HW121720 3.924 1.223 3.190 0.8322 -2.0417 -0.7456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21723 6716SOL HW221721 3.840 1.106 3.267 -0.2714 -0.2769 0.8093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21724 6717SOL OW21722 5.252 1.284 3.108 -0.0859 0.0916 -0.4995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21725 6717SOL HW121723 5.322 1.285 3.179 -0.3245 -1.1137 -0.2158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21726 6717SOL HW221724 5.171 1.332 3.142 -0.3396 -0.8086 0.2268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21727 6718SOL OW21725 4.753 0.902 2.592 -0.9266 -0.0311 0.1171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21728 6718SOL HW121726 4.678 0.938 2.648 -1.6497 -0.1511 -0.7451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21729 6718SOL HW221727 4.789 0.975 2.534 -0.5279 -0.0311 0.3629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21730 6719SOL OW21728 4.801 0.296 2.877 0.3947 0.2400 0.7401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21731 6719SOL HW121729 4.708 0.290 2.841 0.6027 0.4215 0.1752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21732 6719SOL HW221730 4.817 0.219 2.940 -0.1084 0.1702 0.7881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21733 6720SOL OW21731 4.341 1.354 2.276 0.4666 0.6316 -0.6797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21734 6720SOL HW121732 4.378 1.296 2.202 2.4461 1.2328 -0.2147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21735 6720SOL HW221733 4.248 1.382 2.252 1.2848 1.3677 -3.2971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21736 6721SOL OW21734 5.645 0.133 3.086 0.1987 -0.3804 -0.1487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21737 6721SOL HW121735 5.593 0.213 3.117 -2.1834 -1.9490 0.1006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21738 6721SOL HW221736 5.649 0.132 2.987 -1.0808 -0.7236 -0.2070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21739 6722SOL OW21737 3.861 1.235 2.098 0.2652 -0.0929 -0.0121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21740 6722SOL HW121738 3.788 1.168 2.102 -0.8416 0.9120 5.4540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21741 6722SOL HW221739 3.823 1.326 2.080 0.1903 0.2483 1.6350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21742 6723SOL OW21740 3.852 1.028 3.485 0.6399 0.2785 -0.1505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21743 6723SOL HW121741 3.797 1.065 3.560 0.8481 -0.2860 0.2880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21744 6723SOL HW221742 3.886 0.937 3.511 1.0244 0.2416 -0.7811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21745 6724SOL OW21743 4.459 7.248 3.275 0.2001 -0.4486 0.2725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21746 6724SOL HW121744 4.544 7.295 3.252 0.3625 -1.4029 -1.2386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21747 6724SOL HW221745 4.412 7.297 3.348 1.8765 0.2801 0.9090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21748 6725SOL OW21746 3.679 0.325 1.696 -0.1604 0.1143 -0.0293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21749 6725SOL HW121747 3.680 0.306 1.598 0.0931 -0.6428 0.1072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21750 6725SOL HW221748 3.674 0.423 1.712 1.9232 0.4073 -0.8233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21751 6726SOL OW21749 5.035 0.807 3.125 0.4451 -0.5689 -0.0015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21752 6726SOL HW121750 4.990 0.873 3.065 0.1117 -1.9085 -1.2859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21753 6726SOL HW221751 5.134 0.815 3.114 0.5099 1.0134 1.3278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21754 6727SOL OW21752 3.699 0.184 1.916 0.1274 -0.2534 -0.3118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21755 6727SOL HW121753 3.701 0.248 1.840 0.6881 1.1879 0.8580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21756 6727SOL HW221754 3.781 0.127 1.914 0.5328 0.3236 -0.3544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21757 6728SOL OW21755 4.947 1.224 2.143 -0.1367 -0.0754 -0.2297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21758 6728SOL HW121756 4.879 1.272 2.087 -0.8032 0.6634 1.1663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21759 6728SOL HW221757 4.980 1.285 2.215 -0.3899 -1.4330 1.0952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21760 6729SOL OW21758 4.270 1.006 3.355 -0.4404 -0.2050 -0.4138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21761 6729SOL HW121759 4.253 1.077 3.423 -0.1081 -0.3936 -0.1281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21762 6729SOL HW221760 4.335 1.040 3.286 0.7560 -0.6563 0.4535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21763 6730SOL OW21761 5.392 1.914 2.910 -0.4728 0.1910 -0.4274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21764 6730SOL HW121762 5.363 2.009 2.918 0.6711 0.3804 2.1702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21765 6730SOL HW221763 5.466 1.907 2.843 -0.2494 1.2020 -0.3014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21766 6731SOL OW21764 4.492 0.407 3.467 0.2145 0.2400 0.2613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21767 6731SOL HW121765 4.550 0.445 3.539 1.2283 0.4576 -0.6323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21768 6731SOL HW221766 4.419 0.352 3.508 1.1667 -0.1971 1.4351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21769 6732SOL OW21767 5.136 1.098 3.413 -0.2289 -0.2147 -0.6772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21770 6732SOL HW121768 5.059 1.139 3.364 -0.6120 1.8746 1.4551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21771 6732SOL HW221769 5.211 1.164 3.417 -0.0198 -0.5057 1.0057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21772 6733SOL OW21770 3.843 1.756 3.331 0.3297 -0.4830 0.3888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21773 6733SOL HW121771 3.859 1.745 3.233 -0.2588 -0.8607 0.3313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21774 6733SOL HW221772 3.893 1.686 3.382 0.7082 -0.2301 0.3643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21775 6734SOL OW21773 5.301 0.733 3.013 0.2827 0.6998 -0.1557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21776 6734SOL HW121774 5.376 0.704 3.073 1.0001 -1.5982 -2.0375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21777 6734SOL HW221775 5.338 0.788 2.938 0.4651 -1.8358 -2.0378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21778 6735SOL OW21776 4.918 0.338 2.253 0.1945 0.7465 0.1659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21779 6735SOL HW121777 4.991 0.279 2.218 -0.4074 -0.2843 0.6078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21780 6735SOL HW221778 4.953 0.394 2.328 0.1535 -0.9743 1.5371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21781 6736SOL OW21779 4.145 0.702 2.508 0.1233 0.1017 0.5169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21782 6736SOL HW121780 4.211 0.777 2.508 -0.5665 0.7275 0.9164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21783 6736SOL HW221781 4.158 0.645 2.427 -0.3834 1.6020 -0.6745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21784 6737SOL OW21782 5.322 0.355 3.512 0.1236 -0.1971 0.1515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21785 6737SOL HW121783 5.358 0.321 3.425 -1.8533 -0.1571 -0.7260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21786 6737SOL HW221784 5.235 0.310 3.532 -0.0634 0.7185 1.4911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21787 6738SOL OW21785 5.427 0.979 3.170 -0.0015 -0.2246 0.0175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21788 6738SOL HW121786 5.481 1.063 3.175 -0.7046 0.1899 1.1228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21789 6738SOL HW221787 5.346 0.996 3.114 -0.5199 0.0704 0.8406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21790 6739SOL OW21788 4.712 1.359 2.088 -0.2097 -0.0993 -0.0380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21791 6739SOL HW121789 4.657 1.277 2.071 1.1149 -0.7821 -1.2728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21792 6739SOL HW221790 4.703 1.421 2.010 -0.3036 0.4159 0.3789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21793 6740SOL OW21791 4.532 1.601 2.751 -0.4681 -0.5677 -0.1506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21794 6740SOL HW121792 4.470 1.634 2.680 0.5327 2.6789 0.2936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21795 6740SOL HW221793 4.620 1.578 2.710 0.0275 1.0580 -0.0606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21796 6741SOL OW21794 4.521 1.006 2.714 -0.2979 -0.6822 0.4116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21797 6741SOL HW121795 4.504 0.957 2.799 -0.9721 0.6882 1.1071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21798 6741SOL HW221796 4.516 1.105 2.731 -0.3459 -0.3744 -1.2027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21799 6742SOL OW21797 4.851 0.875 2.012 0.2415 0.0977 -0.1049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21800 6742SOL HW121798 4.781 0.811 2.045 0.7680 -0.6796 -0.4441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21801 6742SOL HW221799 4.859 0.867 1.913 0.1890 0.8313 -0.1714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21802 6743SOL OW21800 5.512 1.599 2.713 1.2239 -0.1176 -0.3170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21803 6743SOL HW121801 5.456 1.583 2.632 -0.0570 0.3889 0.4552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21804 6743SOL HW221802 5.482 1.539 2.787 2.2181 -0.3940 -0.1172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21805 6744SOL OW21803 3.953 1.294 3.479 -0.4853 0.6005 -0.5255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21806 6744SOL HW121804 3.971 1.200 3.450 -3.0653 0.2694 -1.3206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21807 6744SOL HW221805 3.968 1.302 3.577 -2.6564 -1.3971 0.0628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21808 6745SOL OW21806 3.709 1.154 2.623 -0.0819 -0.8471 -0.3129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21809 6745SOL HW121807 3.663 1.189 2.705 -2.0473 1.0071 -2.0888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21810 6745SOL HW221808 3.709 1.054 2.627 -2.8134 -0.9194 0.6431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21811 6746SOL OW21809 4.108 1.622 3.224 -0.1341 0.2793 -0.3303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21812 6746SOL HW121810 4.089 1.621 3.323 -0.4368 0.2878 -0.3871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21813 6746SOL HW221811 4.156 1.707 3.201 -2.7273 1.7706 -0.6649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21814 6747SOL OW21812 5.401 0.248 3.288 0.5461 0.1871 -0.0087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21815 6747SOL HW121813 5.419 0.152 3.306 0.1702 0.3817 1.4796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21816 6747SOL HW221814 5.331 0.256 3.216 -0.3261 -0.6731 0.7187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21817 6748SOL OW21815 4.043 0.253 2.282 -0.2652 0.0093 0.0177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21818 6748SOL HW121816 4.094 0.168 2.274 1.6298 1.0530 0.4087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21819 6748SOL HW221817 3.974 0.244 2.353 -1.1422 -1.6527 -0.9761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21820 6749SOL OW21818 5.327 1.449 2.909 0.3550 0.7513 0.1283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21821 6749SOL HW121819 5.253 1.462 2.843 0.6459 2.5430 0.0942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21822 6749SOL HW221820 5.302 1.377 2.973 -0.0604 -0.8522 -1.7200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21823 6750SOL OW21821 4.047 0.640 3.023 -0.4969 0.1111 0.1864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21824 6750SOL HW121822 4.098 0.723 3.044 -1.8382 0.6240 1.6656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21825 6750SOL HW221823 4.051 0.622 2.925 0.6323 1.3644 -0.0235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21826 6751SOL OW21824 4.558 1.579 2.355 -0.0916 -0.1110 0.1473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21827 6751SOL HW121825 4.499 1.641 2.407 1.6012 0.4732 1.4635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21828 6751SOL HW221826 4.506 1.497 2.329 -1.2649 0.0445 1.8709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21829 6752SOL OW21827 5.048 0.384 2.814 -0.1263 -0.6445 -0.2282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21830 6752SOL HW121828 4.955 0.353 2.830 0.1585 -2.3455 -1.5480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21831 6752SOL HW221829 5.079 0.440 2.891 -1.6803 -1.3402 0.9435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21832 6753SOL OW21830 4.887 0.093 3.059 0.1841 -0.3160 0.0205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21833 6753SOL HW121831 4.922 0.015 3.006 2.3152 -0.9412 2.1426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21834 6753SOL HW221832 4.963 0.155 3.080 -0.8447 0.6098 1.1209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21835 6754SOL OW21833 4.506 1.149 2.111 -0.5186 0.1114 -0.2242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21836 6754SOL HW121834 4.479 1.110 2.023 0.4900 1.0274 -0.9625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21837 6754SOL HW221835 4.544 1.078 2.170 -1.3232 -0.5325 -0.4646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21838 6755SOL OW21836 4.524 1.818 3.217 0.7060 -0.4069 0.5184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21839 6755SOL HW121837 4.613 1.828 3.172 0.5210 -1.1957 -0.0222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21840 6755SOL HW221838 4.494 1.723 3.213 -0.9687 0.1381 -0.8264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21841 6756SOL OW21839 5.081 7.073 2.002 -0.8416 -0.4991 -0.7303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21842 6756SOL HW121840 5.098 7.133 1.924 -2.2501 2.0124 0.7805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21843 6756SOL HW221841 4.983 7.069 2.021 -0.4802 -0.2220 1.4945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21844 6757SOL OW21842 5.015 0.608 2.350 -0.1981 -0.0389 -0.2951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21845 6757SOL HW121843 4.997 0.707 2.347 2.0321 0.4565 0.2921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21846 6757SOL HW221844 4.980 0.571 2.436 1.4926 0.8860 0.8545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21847 6758SOL OW21845 5.260 0.303 2.678 0.2754 -0.3264 0.1013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21848 6758SOL HW121846 5.185 0.343 2.731 -0.4828 -0.5918 -0.7380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21849 6758SOL HW221847 5.308 0.375 2.629 0.1086 -0.2331 0.0743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21850 6759SOL OW21848 3.736 0.998 2.090 -0.1256 0.4274 -0.2746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21851 6759SOL HW121849 3.814 0.939 2.109 -0.0842 0.2996 -0.8257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21852 6759SOL HW221850 3.652 0.944 2.086 0.0636 0.2003 -1.9491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21853 6760SOL OW21851 4.409 1.685 2.113 0.0908 0.0810 0.1636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21854 6760SOL HW121852 4.368 1.605 2.069 0.3324 0.5242 -0.9201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21855 6760SOL HW221853 4.492 1.658 2.162 0.6342 -0.2139 -0.8879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21856 6761SOL OW21854 3.893 0.462 3.739 0.8210 -0.4627 -0.1002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21857 6761SOL HW121855 3.815 0.463 3.802 0.4046 1.1898 -0.6081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21858 6761SOL HW221856 3.860 0.453 3.645 1.3826 -1.7613 -0.2016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21859 6762SOL OW21857 3.869 0.311 4.794 0.3096 -0.0395 -0.5864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21860 6762SOL HW121858 3.950 0.295 4.850 -0.0087 0.3732 0.0236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21861 6762SOL HW221859 3.833 0.224 4.760 1.0700 -0.2117 -0.9640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21862 6763SOL OW21860 3.704 0.389 4.312 0.8054 0.0827 -0.2157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21863 6763SOL HW121861 3.633 0.402 4.382 2.2589 -1.1722 1.6079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21864 6763SOL HW221862 3.664 0.400 4.221 -1.9345 -1.4157 0.6824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21865 6764SOL OW21863 4.411 1.301 4.809 -0.2910 0.1569 -0.1257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21866 6764SOL HW121864 4.457 1.349 4.883 -1.4183 0.2607 0.5167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21867 6764SOL HW221865 4.397 1.365 4.732 -0.4714 0.4541 0.1527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21868 6765SOL OW21866 5.235 1.409 4.171 -0.2666 0.1350 0.1671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21869 6765SOL HW121867 5.251 1.420 4.269 -1.1243 0.0126 0.3290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21870 6765SOL HW221868 5.138 1.387 4.155 -0.4786 1.5776 -0.8053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21871 6766SOL OW21869 4.532 0.649 4.208 0.0727 0.0258 -0.5009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21872 6766SOL HW121870 4.630 0.657 4.225 -0.0160 0.6674 -0.2454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21873 6766SOL HW221871 4.482 0.699 4.279 -0.5225 -1.8243 0.4406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21874 6767SOL OW21872 5.442 0.651 3.811 -1.0694 0.0012 0.2595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21875 6767SOL HW121873 5.380 0.652 3.733 -0.8529 -2.6344 -0.0448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21876 6767SOL HW221874 5.439 0.561 3.855 0.2009 0.8171 2.1676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21877 6768SOL OW21875 4.385 1.036 4.779 0.2293 -0.2421 -0.0708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21878 6768SOL HW121876 4.384 1.136 4.788 -1.5176 -0.3597 1.5937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21879 6768SOL HW221877 4.324 1.009 4.705 -1.1268 -0.1476 0.9822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21880 6769SOL OW21878 4.767 0.591 5.599 -0.1406 -0.4663 -0.2758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21881 6769SOL HW121879 4.734 0.570 5.507 -1.5261 -0.2888 0.1570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21882 6769SOL HW221880 4.821 0.675 5.596 -2.8733 1.4408 -0.4911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21883 6770SOL OW21881 4.293 1.060 4.266 -0.4133 0.1374 0.3034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21884 6770SOL HW121882 4.340 1.148 4.260 1.6612 -0.8382 1.2054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21885 6770SOL HW221883 4.223 1.055 4.194 0.6996 1.7699 -0.9828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21886 6771SOL OW21884 4.434 1.171 5.559 -0.2532 0.0376 -0.1518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21887 6771SOL HW121885 4.469 1.233 5.629 -0.1442 -1.1741 0.9020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21888 6771SOL HW221886 4.386 1.224 5.489 -0.3424 1.2876 0.8164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21889 6772SOL OW21887 4.022 1.345 4.630 0.0926 0.2671 0.0693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21890 6772SOL HW121888 3.943 1.288 4.605 -1.8900 3.0932 -0.5780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21891 6772SOL HW221889 4.097 1.327 4.566 -0.0613 -2.2274 0.4674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21892 6773SOL OW21890 5.189 1.373 5.165 -0.3614 0.1206 -0.1998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21893 6773SOL HW121891 5.258 1.442 5.185 -0.8084 -0.1693 2.8022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21894 6773SOL HW221892 5.101 1.402 5.202 -1.2499 -0.7372 -1.5541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21895 6774SOL OW21893 4.125 0.488 5.046 -0.3088 0.0498 0.0065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21896 6774SOL HW121894 4.180 0.550 5.102 1.1685 -0.1834 -1.1075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21897 6774SOL HW221895 4.110 0.403 5.095 2.2385 -0.7417 -0.4131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21898 6775SOL OW21896 5.114 0.446 4.264 -0.7690 0.4268 -0.3460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21899 6775SOL HW121897 5.124 0.545 4.274 1.4979 0.1170 1.2272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21900 6775SOL HW221898 5.204 0.402 4.271 -1.9244 -1.9132 1.1519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21901 6776SOL OW21899 4.749 1.118 5.410 -0.0095 0.0031 -0.1490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21902 6776SOL HW121900 4.845 1.088 5.418 0.7580 2.3047 -0.0887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21903 6776SOL HW221901 4.695 1.046 5.367 1.8744 -1.1140 -0.7524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21904 6777SOL OW21902 3.949 1.071 4.493 -0.2062 0.0359 -0.1502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21905 6777SOL HW121903 3.960 0.979 4.531 -1.0571 -0.7863 -1.7930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21906 6777SOL HW221904 3.862 1.110 4.522 0.5652 0.7503 1.3169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21907 6778SOL OW21905 3.987 1.729 5.259 -0.5783 0.2362 0.0457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21908 6778SOL HW121906 3.917 1.724 5.331 -0.7855 0.9295 -0.1005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21909 6778SOL HW221907 4.042 1.811 5.273 2.0533 -1.6357 1.8304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21910 6779SOL OW21908 4.310 0.870 3.739 -0.6714 0.3436 -0.8556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21911 6779SOL HW121909 4.232 0.825 3.695 0.1480 -1.1765 -0.8221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21912 6779SOL HW221910 4.385 0.805 3.749 -0.0130 1.2824 0.7326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21913 6780SOL OW21911 5.224 0.169 5.164 -0.4196 -0.1952 0.1499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21914 6780SOL HW121912 5.142 0.220 5.189 -0.4396 -0.9380 1.7171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21915 6780SOL HW221913 5.259 0.203 5.077 -0.7982 2.0542 0.7937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21916 6781SOL OW21914 3.904 0.550 4.353 0.4176 -0.5216 0.1015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21917 6781SOL HW121915 3.822 0.494 4.343 -0.1206 0.2938 -0.2031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21918 6781SOL HW221916 3.939 0.543 4.446 0.3517 -1.3426 0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21919 6782SOL OW21917 3.657 1.359 4.264 0.7264 0.3391 0.0738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21920 6782SOL HW121918 3.722 1.377 4.189 -0.5434 -0.2973 -1.2275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21921 6782SOL HW221919 3.654 1.261 4.283 -0.4849 0.2407 -0.5131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21922 6783SOL OW21920 5.317 0.821 4.310 -0.0721 -0.6526 0.3344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21923 6783SOL HW121921 5.396 0.844 4.366 0.0046 1.0153 -0.3985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21924 6783SOL HW221922 5.335 0.738 4.258 1.0020 -0.5455 0.5242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21925 6784SOL OW21923 5.187 1.062 4.258 0.5665 0.2547 -0.1305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21926 6784SOL HW121924 5.203 0.974 4.303 0.3188 0.2325 -0.0863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21927 6784SOL HW221925 5.272 1.093 4.215 0.6071 -0.1054 -0.3169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21928 6785SOL OW21926 3.673 0.824 5.167 0.1968 0.1821 -0.2023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21929 6785SOL HW121927 3.743 0.840 5.236 0.0839 1.7800 -0.4292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21930 6785SOL HW221928 3.635 0.911 5.136 -3.0421 -0.6356 1.0439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21931 6786SOL OW21929 4.474 1.273 4.347 0.2470 0.4771 -0.3561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21932 6786SOL HW121930 4.519 1.359 4.321 1.8814 -0.1255 0.3186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21933 6786SOL HW221931 4.543 1.209 4.380 -0.8922 -1.2173 -1.1347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21934 6787SOL OW21932 4.894 1.165 4.986 -0.5939 0.3430 0.1923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21935 6787SOL HW121933 4.824 1.116 4.934 -0.0060 -0.6642 0.3254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21936 6787SOL HW221934 4.957 1.099 5.027 0.7591 1.2608 -0.3693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21937 6788SOL OW21935 4.527 7.175 4.297 0.4378 -0.3214 -0.0395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21938 6788SOL HW121936 4.463 7.248 4.272 -1.4394 -1.8678 0.1209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21939 6788SOL HW221937 4.502 7.091 4.250 2.0827 -1.0990 0.4145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21940 6789SOL OW21938 3.930 1.141 5.024 -0.1342 -0.5963 0.6026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21941 6789SOL HW121939 3.984 1.057 5.028 0.6699 -0.2216 6.4014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21942 6789SOL HW221940 3.991 1.218 5.003 -0.3693 -1.0231 -1.9825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21943 6790SOL OW21941 5.315 0.942 3.799 0.5927 0.1099 0.1048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21944 6790SOL HW121942 5.235 0.884 3.810 -0.1105 1.2927 1.8119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21945 6790SOL HW221943 5.390 0.907 3.856 1.0216 -0.4744 -0.7837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21946 6791SOL OW21944 4.946 1.725 5.222 -0.2145 -0.0829 -0.0095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21947 6791SOL HW121945 4.938 1.821 5.196 0.2704 0.4681 1.7227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21948 6791SOL HW221946 4.926 1.667 5.143 0.3491 1.4383 -1.3252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21949 6792SOL OW21947 3.678 0.322 5.545 -0.3865 -0.0015 -0.2254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21950 6792SOL HW121948 3.761 0.320 5.489 -1.3308 0.3259 -1.6666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21951 6792SOL HW221949 3.599 0.299 5.490 -1.4246 0.8383 0.8465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21952 6793SOL OW21950 5.204 1.383 4.443 0.0841 -0.1077 -0.0171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21953 6793SOL HW121951 5.289 1.388 4.495 -0.3473 -0.0312 0.6975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21954 6793SOL HW221952 5.161 1.294 4.457 -0.3548 0.1451 0.2811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21955 6794SOL OW21953 4.221 0.688 3.997 -0.3834 0.0885 0.1607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21956 6794SOL HW121954 4.278 0.764 4.026 -1.2126 0.5787 0.5435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21957 6794SOL HW221955 4.174 0.649 4.076 1.3241 -1.9420 0.2543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21958 6795SOL OW21956 4.977 0.410 4.496 -0.3690 -0.4092 -0.6050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21959 6795SOL HW121957 5.017 0.382 4.408 -1.9874 -1.8590 -0.9185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21960 6795SOL HW221958 4.878 0.413 4.488 -0.4606 2.1967 0.4308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21961 6796SOL OW21959 4.412 0.572 4.997 0.2428 0.0845 -0.0515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21962 6796SOL HW121960 4.437 0.501 5.062 -2.0256 0.0416 0.8719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21963 6796SOL HW221961 4.399 0.532 4.906 0.3592 -0.4253 0.1561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21964 6797SOL OW21962 5.118 0.550 5.346 0.1210 0.1326 0.1296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21965 6797SOL HW121963 5.135 0.604 5.429 -1.1705 1.4837 -0.4396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21966 6797SOL HW221964 5.204 0.532 5.300 1.0071 -1.4916 2.2313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21967 6798SOL OW21965 4.607 0.849 5.340 0.0009 0.5563 -0.4100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21968 6798SOL HW121966 4.636 0.754 5.343 0.3231 0.6697 0.1462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21969 6798SOL HW221967 4.570 0.869 5.249 -0.6550 -0.2570 -0.3311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21970 6799SOL OW21968 4.639 0.428 4.730 -0.4039 0.0996 -0.6882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21971 6799SOL HW121969 4.540 0.438 4.724 -0.4294 -0.1112 -0.6369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21972 6799SOL HW221970 4.663 0.331 4.725 -0.2330 0.1179 -0.2749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21973 6800SOL OW21971 4.535 0.539 3.954 0.2977 0.2666 0.5023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21974 6800SOL HW121972 4.527 0.532 4.053 1.2314 -1.4261 0.5020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21975 6800SOL HW221973 4.486 0.463 3.911 1.4894 -0.1314 -0.2139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21976 6801SOL OW21974 3.700 0.756 4.655 0.3890 -0.0997 0.2331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21977 6801SOL HW121975 3.673 0.672 4.703 -0.9884 -0.3732 -0.9638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21978 6801SOL HW221976 3.644 0.832 4.687 0.2443 -0.0541 -0.1261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21979 6802SOL OW21977 3.506 1.865 5.601 0.3586 0.7307 -0.0180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21980 6802SOL HW121978 3.570 1.814 5.659 -0.6111 1.7732 2.0883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21981 6802SOL HW221979 3.413 1.850 5.632 -0.5725 -0.9139 -3.1765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21982 6803SOL OW21980 4.391 0.046 3.894 0.5611 -0.2225 -0.1866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21983 6803SOL HW121981 4.447 0.045 3.811 -0.0799 -0.7654 -0.6177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21984 6803SOL HW221982 4.309 -0.008 3.880 -0.2173 0.7876 0.3529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21985 6804SOL OW21983 5.533 0.653 5.372 0.2647 1.1101 0.3530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21986 6804SOL HW121984 5.483 0.739 5.363 -0.9919 0.5865 1.8105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21987 6804SOL HW221985 5.489 0.583 5.315 1.2410 1.3795 -0.7743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21988 6805SOL OW21986 5.020 1.041 4.037 -0.1695 -0.4053 0.0181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21989 6805SOL HW121987 5.086 1.065 4.109 -0.3791 0.1970 0.0152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21990 6805SOL HW221988 5.053 0.961 3.987 -0.1964 -1.0590 1.0214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21991 6806SOL OW21989 4.246 0.012 4.524 0.4967 -0.2581 0.0996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21992 6806SOL HW121990 4.176 -0.017 4.459 -1.5045 1.7784 1.1556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21993 6806SOL HW221991 4.336 -0.019 4.494 -0.5755 -1.0719 -2.5223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21994 6807SOL OW21992 4.622 1.274 4.045 0.0976 -0.2577 -0.3163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21995 6807SOL HW121993 4.581 1.272 3.954 -2.9480 -1.2315 0.9337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21996 6807SOL HW221994 4.635 1.181 4.078 1.3860 0.0777 0.1909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21997 6808SOL OW21995 3.936 1.597 4.730 -0.1020 -0.3513 0.2310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21998 6808SOL HW121996 3.987 1.518 4.696 0.9944 0.3215 0.2677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
21999 6808SOL HW221997 3.988 1.642 4.802 -0.3464 0.8679 -0.3330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22000 6809SOL OW21998 5.470 1.065 4.618 0.2877 0.2129 -0.4502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22001 6809SOL HW121999 5.494 1.151 4.572 -0.4549 1.1702 0.8810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22002 6809SOL HW222000 5.374 1.069 4.647 0.8149 -0.1968 1.4892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22003 6810SOL OW22001 4.957 1.451 5.311 -0.0608 0.6433 -0.2594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22004 6810SOL HW122002 4.884 1.428 5.375 -1.1302 2.9928 -0.5174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22005 6810SOL HW222003 4.967 1.551 5.308 2.5963 0.4125 -0.8887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22006 6811SOL OW22004 3.885 0.877 4.036 -0.6267 0.0941 -0.5235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22007 6811SOL HW122005 3.943 0.930 4.097 1.4057 -0.3276 -1.9730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22008 6811SOL HW222006 3.913 0.781 4.039 -2.5716 -0.4886 0.1682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22009 6812SOL OW22007 5.059 0.716 4.341 0.2055 -1.0823 -0.1754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22010 6812SOL HW122008 5.060 0.691 4.438 0.4728 2.0598 0.7634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22011 6812SOL HW222009 5.137 0.776 4.322 -1.1208 0.2531 -1.7342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22012 6813SOL OW22010 4.280 1.313 5.365 0.0722 0.4428 0.8357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22013 6813SOL HW122011 4.231 1.389 5.323 -0.7995 0.1638 1.3248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22014 6813SOL HW222012 4.220 1.266 5.430 0.0683 -1.5569 -0.5150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22015 6814SOL OW22013 3.970 0.264 5.178 0.3630 -0.2802 -0.0464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22016 6814SOL HW122014 3.893 0.323 5.153 0.2524 0.9898 2.8265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22017 6814SOL HW222015 3.941 0.200 5.249 1.0855 -2.3694 -1.5376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22018 6815SOL OW22016 5.372 1.319 3.734 -0.2546 0.1727 -0.0319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22019 6815SOL HW122017 5.273 1.304 3.742 0.0701 -1.1490 2.6396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22020 6815SOL HW222018 5.414 1.237 3.695 0.1368 -0.9644 2.5731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22021 6816SOL OW22019 5.076 0.225 4.094 -0.2614 -0.3463 -0.1862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22022 6816SOL HW122020 5.142 0.199 4.024 -1.0862 0.2434 -1.2066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22023 6816SOL HW222021 5.112 0.300 4.149 -0.0002 -0.1764 -0.5957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22024 6817SOL OW22022 3.869 1.645 5.016 0.2935 0.0234 0.2803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22025 6817SOL HW122023 3.905 1.560 4.977 -0.6915 0.5717 -1.9693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22026 6817SOL HW222024 3.925 1.672 5.094 2.0264 -1.4567 -0.3873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22027 6818SOL OW22025 4.626 1.722 4.259 -0.1329 -0.3496 0.6066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22028 6818SOL HW122026 4.673 1.799 4.216 0.3569 -0.6396 0.6145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22029 6818SOL HW222027 4.680 1.639 4.246 0.4355 -0.3169 2.4457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22030 6819SOL OW22028 4.146 0.524 4.247 0.6330 -0.0907 -0.4727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22031 6819SOL HW122029 4.158 0.433 4.207 1.4454 0.2472 -0.9975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22032 6819SOL HW222030 4.051 0.535 4.276 0.5502 -1.1474 -0.3027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22033 6820SOL OW22031 5.269 0.276 5.510 -0.2003 0.7497 0.6276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22034 6820SOL HW122032 5.242 0.225 5.592 -1.8190 0.6635 0.0677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22035 6820SOL HW222033 5.205 0.256 5.436 -0.0059 2.4891 -0.0416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22036 6821SOL OW22034 4.208 7.145 3.784 0.1152 -0.1639 -0.3507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22037 6821SOL HW122035 4.131 7.138 3.719 0.2845 -2.2877 -0.3948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22038 6821SOL HW222036 4.287 7.096 3.747 0.9344 0.4826 0.5025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22039 6822SOL OW22037 4.460 0.256 5.578 0.4003 0.1019 0.2514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22040 6822SOL HW122038 4.537 0.267 5.640 -0.0404 2.6264 0.4446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22041 6822SOL HW222039 4.388 0.203 5.622 0.7125 0.5541 1.3250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22042 6823SOL OW22040 4.552 1.516 4.940 0.3109 -0.3648 0.1259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22043 6823SOL HW122041 4.572 1.533 4.844 -0.5698 -2.1658 -0.4137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22044 6823SOL HW222042 4.633 1.479 4.985 0.1987 -1.2647 -0.3925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22045 6824SOL OW22043 4.942 0.618 5.126 0.1124 -0.0384 0.2913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22046 6824SOL HW122044 5.004 0.600 5.202 -0.4857 0.4061 0.9007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22047 6824SOL HW222045 4.966 0.704 5.082 0.7137 -0.4943 -0.3016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22048 6825SOL OW22046 4.596 1.547 4.651 0.2346 0.5644 0.2683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22049 6825SOL HW122047 4.660 1.478 4.616 -1.2836 -0.0991 -1.3772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22050 6825SOL HW222048 4.594 1.625 4.590 -0.1608 0.7994 0.5765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22051 6826SOL OW22049 4.494 0.291 4.465 0.1544 0.4978 -0.2999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22052 6826SOL HW122050 4.510 0.255 4.373 2.5912 2.0128 -0.5411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22053 6826SOL HW222051 4.534 0.229 4.532 0.9272 0.8033 -0.4677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22054 6827SOL OW22052 4.248 7.238 4.175 -0.2358 -0.2022 0.2339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22055 6827SOL HW122053 4.166 7.239 4.232 -0.9727 -0.1942 -0.7875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22056 6827SOL HW222054 4.270 7.143 4.151 -0.4414 -0.1446 -0.1815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22057 6828SOL OW22055 5.111 1.140 3.732 -0.2427 0.1504 0.3223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22058 6828SOL HW122056 5.177 1.080 3.775 0.5931 1.7124 1.3215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22059 6828SOL HW222057 5.094 1.110 3.638 -0.3944 -1.9953 0.9866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22060 6829SOL OW22058 3.877 0.082 4.035 -0.2626 0.0974 0.1297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22061 6829SOL HW122059 3.945 0.121 3.974 1.1895 -0.4927 1.3214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22062 6829SOL HW222060 3.876 0.133 4.121 -0.9772 -0.2249 0.3229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22063 6830SOL OW22061 4.659 0.043 4.026 -0.1060 0.0875 -0.1224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22064 6830SOL HW122062 4.586 -0.021 4.050 0.2159 0.1239 1.0303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22065 6830SOL HW222063 4.744 0.014 4.070 -0.2918 2.1323 1.7567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22066 6831SOL OW22064 4.738 0.594 5.326 -0.3270 -1.0515 0.2382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22067 6831SOL HW122065 4.667 0.539 5.280 -1.0201 -0.9524 1.1692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22068 6831SOL HW222066 4.807 0.621 5.259 -0.4988 -2.2217 -0.4370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22069 6832SOL OW22067 4.947 1.495 4.446 -0.0893 -0.0099 0.2918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22070 6832SOL HW122068 4.950 1.594 4.434 0.9120 0.1037 1.2716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22071 6832SOL HW222069 5.040 1.461 4.460 -0.6372 -0.5769 3.4380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22072 6833SOL OW22070 4.000 1.050 4.228 -0.4412 -0.4622 -0.2512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22073 6833SOL HW122071 3.995 1.077 4.324 -3.1002 2.3893 -1.0285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22074 6833SOL HW222072 4.058 1.114 4.178 -1.9821 0.2822 -1.1298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22075 6834SOL OW22073 4.873 1.757 4.417 -0.1252 0.3475 -0.3980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22076 6834SOL HW122074 4.790 1.758 4.360 -0.6657 -0.1865 0.3578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22077 6834SOL HW222075 4.870 1.834 4.481 -0.3904 -0.0818 0.1124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22078 6835SOL OW22076 4.815 0.495 3.453 0.5652 -0.3863 0.0440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22079 6835SOL HW122077 4.736 0.544 3.489 0.2571 -0.6666 -0.2498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22080 6835SOL HW222078 4.892 0.507 3.516 0.5688 0.6646 -0.1355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22081 6836SOL OW22079 3.791 0.675 4.977 -0.2351 -0.2557 0.5482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22082 6836SOL HW122080 3.877 0.704 4.934 -0.4895 -1.3878 -0.8257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22083 6836SOL HW222081 3.760 0.745 5.041 1.3279 0.5026 0.5292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22084 6837SOL OW22082 4.231 0.209 4.713 0.0745 0.0466 0.4611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22085 6837SOL HW122083 4.219 0.126 4.659 -0.2970 -0.2553 0.9953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22086 6837SOL HW222084 4.191 0.196 4.804 1.3001 0.2903 1.0674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22087 6838SOL OW22085 4.496 0.236 4.193 0.0201 -0.0864 -0.0293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22088 6838SOL HW122086 4.447 0.313 4.153 1.7185 0.5043 -1.0591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22089 6838SOL HW222087 4.553 0.192 4.124 2.1455 0.2296 1.4085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22090 6839SOL OW22088 4.888 0.060 4.554 0.8444 -0.1813 0.3321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22091 6839SOL HW122089 4.892 0.117 4.472 2.0888 -1.5849 -0.6472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22092 6839SOL HW222090 4.842 -0.027 4.532 1.9543 -0.9172 0.8724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22093 6840SOL OW22091 5.070 1.140 4.491 -0.1022 -0.4070 -0.5783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22094 6840SOL HW122092 4.975 1.111 4.503 -0.3764 0.0388 -1.5549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22095 6840SOL HW222093 5.103 1.107 4.403 1.0502 -1.5579 0.2423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22096 6841SOL OW22094 5.064 0.624 4.617 -0.1965 -0.3295 0.3309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22097 6841SOL HW122095 5.032 0.542 4.569 1.5663 -0.7662 -0.1928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22098 6841SOL HW222096 5.131 0.598 4.686 0.2920 0.6571 0.2475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22099 6842SOL OW22097 5.394 0.597 4.184 0.1240 -0.4762 0.3867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22100 6842SOL HW122098 5.424 0.505 4.206 1.0392 -0.4927 -0.8397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22101 6842SOL HW222099 5.369 0.602 4.087 -1.9582 0.0466 0.9033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22102 6843SOL OW22100 4.065 1.550 3.729 -0.8282 -0.3041 -0.0060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22103 6843SOL HW122101 4.004 1.602 3.788 0.4700 0.0504 1.0558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22104 6843SOL HW222102 4.109 1.477 3.781 0.9151 0.4824 -0.2993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22105 6844SOL OW22103 5.519 1.279 4.422 0.3851 -0.1887 -0.2247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22106 6844SOL HW122104 5.541 1.195 4.371 -0.7087 0.0619 -1.1580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22107 6844SOL HW222105 5.591 1.347 4.407 0.8856 -0.6829 -0.1040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22108 6845SOL OW22106 5.024 0.566 3.643 -0.2617 0.3371 -0.3207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22109 6845SOL HW122107 5.033 0.541 3.740 -0.5369 0.4958 -0.2532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22110 6845SOL HW222108 5.113 0.594 3.607 -0.2375 0.6747 -0.0037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22111 6846SOL OW22109 4.101 0.163 3.883 0.3517 -0.4085 0.2958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22112 6846SOL HW122110 4.174 0.099 3.907 1.0914 0.6680 1.0082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22113 6846SOL HW222111 4.085 0.160 3.784 1.2053 -0.8249 0.1618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22114 6847SOL OW22112 5.636 1.187 5.176 0.0875 0.4997 0.0701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22115 6847SOL HW122113 5.725 1.167 5.218 0.0897 1.8234 0.7502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22116 6847SOL HW222114 5.579 1.238 5.240 -0.6020 0.9754 -0.8893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22117 6848SOL OW22115 4.707 1.363 5.140 -0.3609 -0.2006 0.4196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22118 6848SOL HW122116 4.733 1.438 5.200 0.5863 -0.1554 -0.0394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22119 6848SOL HW222117 4.787 1.307 5.119 -0.0042 1.4011 -3.0664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22120 6849SOL OW22118 5.389 1.454 5.607 0.5073 -0.3567 0.3156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22121 6849SOL HW122119 5.416 1.423 5.515 -0.1705 -1.1859 0.3903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22122 6849SOL HW222120 5.391 1.377 5.670 0.7481 0.1668 0.9578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22123 6850SOL OW22121 4.836 1.378 4.817 -0.2274 0.4470 0.4091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22124 6850SOL HW122122 4.864 1.292 4.861 0.1513 -0.1879 -1.0141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22125 6850SOL HW222123 4.798 1.358 4.727 -1.5410 1.6665 0.6615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22126 6851SOL OW22124 5.173 1.076 4.721 0.0823 0.1969 -0.2230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22127 6851SOL HW122125 5.174 1.141 4.797 -2.0446 -1.1303 1.0662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22128 6851SOL HW222126 5.118 1.114 4.647 0.3901 0.6264 -0.2369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22129 6852SOL OW22127 4.581 0.150 5.075 -0.4085 0.2221 -0.2330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22130 6852SOL HW122128 4.596 0.102 4.989 -1.3420 -0.3563 -0.0837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22131 6852SOL HW222129 4.669 0.168 5.119 -0.0181 -0.9314 -0.5175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22132 6853SOL OW22130 4.563 0.945 5.621 0.1684 0.0502 -0.4460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22133 6853SOL HW122131 4.531 1.038 5.608 -1.8701 -0.7078 -1.3014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22134 6853SOL HW222132 4.592 0.907 5.533 -0.9283 -0.7569 -0.4758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22135 6854SOL OW22133 4.384 0.893 4.080 0.3195 -0.5053 -0.1099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22136 6854SOL HW122134 4.351 0.943 4.160 -1.7647 -1.9873 0.0516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22137 6854SOL HW222135 4.439 0.815 4.109 -0.8014 -1.2982 -0.0535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22138 6855SOL OW22136 4.058 0.903 5.024 0.1658 -0.2891 0.1280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22139 6855SOL HW122137 4.145 0.903 5.073 0.0614 -0.3902 0.3109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22140 6855SOL HW222138 4.065 0.842 4.945 0.4834 0.2257 -0.2507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22141 6856SOL OW22139 4.790 0.439 4.972 -0.3096 0.4505 0.2977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22142 6856SOL HW122140 4.857 0.512 4.985 -1.1067 1.2757 -0.1893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22143 6856SOL HW222141 4.736 0.456 4.890 0.5755 -1.5395 -0.7621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22144 6857SOL OW22142 3.640 1.800 5.093 0.0897 0.0263 0.1357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22145 6857SOL HW122143 3.591 1.809 5.007 0.9534 0.9918 -0.2704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22146 6857SOL HW222144 3.708 1.727 5.086 0.6053 0.5403 -0.2164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22147 6858SOL OW22145 4.083 1.272 4.086 0.5672 -0.8180 -0.5668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22148 6858SOL HW122146 4.143 1.327 4.028 -2.7533 4.1704 0.0597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22149 6858SOL HW222147 3.988 1.287 4.060 -0.9514 -0.7298 3.9918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22150 6859SOL OW22148 4.134 0.270 4.442 0.1912 -0.0972 0.0349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22151 6859SOL HW122149 4.164 0.203 4.510 1.1992 1.2186 0.9197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22152 6859SOL HW222150 4.209 0.332 4.420 -0.2157 -0.2709 -2.0486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22153 6860SOL OW22151 4.749 1.014 4.074 -0.7574 -0.2227 0.1856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22154 6860SOL HW122152 4.736 0.924 4.032 -0.5009 -1.1587 2.0042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22155 6860SOL HW222153 4.845 1.041 4.066 -0.1313 -1.5776 2.2762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22156 6861SOL OW22154 5.095 1.493 4.822 0.1716 0.0157 0.0957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22157 6861SOL HW122155 5.100 1.480 4.921 0.2100 1.2216 0.2733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22158 6861SOL HW222156 5.014 1.448 4.786 0.5553 -1.0801 0.5490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22159 6862SOL OW22157 4.891 0.501 4.110 0.3136 -0.3445 0.3504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22160 6862SOL HW122158 4.813 0.548 4.153 0.8385 -0.0899 1.0314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22161 6862SOL HW222159 4.969 0.501 4.173 0.4236 -1.8591 0.2461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22162 6863SOL OW22160 4.079 1.352 4.933 -0.3346 -0.1853 0.4222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22163 6863SOL HW122161 4.086 1.319 4.839 0.1919 -0.7501 0.6529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22164 6863SOL HW222162 4.154 1.416 4.951 1.5597 -2.4895 1.3927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22165 6864SOL OW22163 4.202 0.727 5.402 0.0285 -0.0011 0.3111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22166 6864SOL HW122164 4.243 0.775 5.324 -0.9259 0.9908 0.3883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22167 6864SOL HW222165 4.260 0.650 5.428 1.4518 0.8978 -0.0509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22168 6865SOL OW22166 5.370 0.888 5.379 -0.1046 0.0460 -0.0270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22169 6865SOL HW122167 5.345 0.974 5.424 -2.3009 -0.6239 0.1621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22170 6865SOL HW222168 5.345 0.894 5.282 -0.4305 -0.4168 0.0239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22171 6866SOL OW22169 4.754 7.140 5.875 -0.0834 0.4545 0.2240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22172 6866SOL HW122170 4.772 7.112 5.970 1.5194 -0.9459 -0.4310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22173 6866SOL HW222171 4.721 7.061 5.823 -1.3571 1.3111 -0.3125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22174 6867SOL OW22172 4.027 7.231 5.453 -0.5958 -0.5370 0.2397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22175 6867SOL HW122173 3.991 7.177 5.529 -1.2541 0.6173 0.7738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22176 6867SOL HW222174 3.955 7.290 5.417 -0.0010 -0.3023 -0.5907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22177 6868SOL OW22175 4.520 0.813 4.858 0.0825 0.0650 0.1331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22178 6868SOL HW122176 4.457 0.888 4.837 -0.8831 -0.3376 1.4606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22179 6868SOL HW222177 4.475 0.749 4.920 1.4715 -0.7622 0.3071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22180 6869SOL OW22178 4.870 0.828 4.622 -0.2328 0.1895 -0.1038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22181 6869SOL HW122179 4.790 0.771 4.605 -0.6535 1.3591 -2.5465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22182 6869SOL HW222180 4.953 0.772 4.619 -0.7215 -0.5055 -1.2351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22183 6870SOL OW22181 4.661 0.255 3.839 -0.0061 -0.1968 -0.7681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22184 6870SOL HW122182 4.649 0.185 3.909 0.4414 0.5148 0.0410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22185 6870SOL HW222183 4.576 0.307 3.828 -0.0666 -0.2904 -0.7485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22186 6871SOL OW22184 4.082 0.127 4.952 0.3985 0.3206 0.0698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22187 6871SOL HW122185 4.053 0.196 5.017 -1.0987 0.0720 -0.2806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22188 6871SOL HW222186 4.082 0.037 4.996 2.7656 0.5587 0.6454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22189 6872SOL OW22187 3.669 1.143 4.953 0.8521 0.2498 0.0812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22190 6872SOL HW122188 3.765 1.127 4.977 1.3909 1.9029 -0.8224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22191 6872SOL HW222189 3.663 1.221 4.892 -1.1281 0.4331 0.4579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22192 6873SOL OW22190 4.312 0.514 4.476 -0.3283 -0.1525 -0.7104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22193 6873SOL HW122191 4.385 0.451 4.447 -0.7422 -0.5551 -0.8911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22194 6873SOL HW222192 4.255 0.536 4.397 -0.5288 -0.0039 -0.5229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22195 6874SOL OW22193 5.549 0.990 5.689 -0.1870 0.9409 0.3088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22196 6874SOL HW122194 5.558 0.999 5.589 -0.2625 0.6170 0.2713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22197 6874SOL HW222195 5.487 0.914 5.710 -0.4022 1.1939 0.6017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22198 6875SOL OW22196 4.022 7.221 4.363 0.1854 -0.2408 -0.1770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22199 6875SOL HW122197 3.979 7.311 4.352 1.3880 0.9013 3.0978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22200 6875SOL HW222198 3.980 7.174 4.441 0.9178 -1.7084 -0.6287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22201 6876SOL OW22199 5.087 0.582 3.925 -0.4635 0.1566 0.3085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22202 6876SOL HW122200 5.156 0.511 3.939 -2.2822 -1.9971 -1.1237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22203 6876SOL HW222201 5.004 0.559 3.975 -1.4101 0.7880 -0.9166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22204 6877SOL OW22202 4.442 0.808 4.438 0.1559 -0.0116 -0.5109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22205 6877SOL HW122203 4.495 0.771 4.515 -0.5384 0.0077 -0.0171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22206 6877SOL HW222204 4.361 0.856 4.473 0.7924 1.6084 -1.1451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22207 6878SOL OW22205 4.743 1.387 5.450 0.1335 -0.0942 0.1077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22208 6878SOL HW122206 4.653 1.428 5.463 -0.3742 -1.5026 1.3952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22209 6878SOL HW222207 4.732 1.289 5.432 1.4082 -0.4189 0.9626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22210 6879SOL OW22208 5.515 1.365 5.360 -0.4337 -0.2459 0.0954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22211 6879SOL HW122209 5.483 1.442 5.306 1.0498 -0.2391 -0.8497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22212 6879SOL HW222210 5.590 1.394 5.420 0.5210 -1.0134 -0.6708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22213 6880SOL OW22211 4.076 0.930 5.545 -0.8155 0.0683 0.1663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22214 6880SOL HW122212 4.134 0.965 5.618 -0.3050 1.3106 -0.7912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22215 6880SOL HW222213 4.132 0.883 5.477 -0.8924 1.2944 -0.7764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22216 6881SOL OW22214 4.970 0.287 3.816 -0.0699 -0.0493 0.4171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22217 6881SOL HW122215 4.973 0.305 3.915 -0.7446 -1.4949 0.7243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22218 6881SOL HW222216 4.886 0.237 3.794 0.4618 -0.4434 -0.7679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22219 6882SOL OW22217 4.862 0.772 3.630 0.0236 -0.6797 -0.1823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22220 6882SOL HW122218 4.922 0.697 3.657 -2.0313 -2.4524 -0.2666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22221 6882SOL HW222219 4.895 0.812 3.545 1.9767 -0.4783 0.6229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22222 6883SOL OW22220 4.764 1.344 4.553 -0.3670 -0.0775 -0.4535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22223 6883SOL HW122221 4.790 1.248 4.565 0.6783 0.1179 -1.0616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22224 6883SOL HW222222 4.840 1.394 4.513 -0.7300 1.1205 0.3300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22225 6884SOL OW22223 3.963 0.806 4.574 0.2084 -0.2975 -0.6501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22226 6884SOL HW122224 3.878 0.793 4.627 0.4340 1.6917 0.2914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22227 6884SOL HW222225 4.028 0.734 4.598 0.3939 0.6627 2.0957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22228 6885SOL OW22226 3.995 0.459 4.593 0.7645 0.3302 0.2086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22229 6885SOL HW122227 3.964 0.407 4.672 0.2657 1.7118 0.9614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22230 6885SOL HW222228 4.053 0.401 4.535 -4.4602 -3.1614 -2.3051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22231 6886SOL OW22229 4.998 0.301 5.335 0.1073 -0.3840 0.1098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22232 6886SOL HW122230 4.990 0.275 5.431 -0.1827 -0.6897 0.0031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22233 6886SOL HW222231 5.011 0.400 5.329 -3.4609 0.2321 0.3429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22234 6887SOL OW22232 4.861 0.233 5.102 0.4099 0.0588 -0.0031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22235 6887SOL HW122233 4.874 0.243 5.201 0.5352 0.1496 -0.0284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22236 6887SOL HW222234 4.827 0.319 5.065 -0.9847 -0.3870 0.1780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22237 6888SOL OW22235 3.883 1.106 3.789 0.6070 -0.1622 0.1564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22238 6888SOL HW122236 3.850 1.178 3.850 0.0070 0.8366 -1.2933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22239 6888SOL HW222237 3.853 1.017 3.824 0.1118 0.3981 1.2067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22240 6889SOL OW22238 4.223 1.339 4.453 -0.5257 -0.2547 0.0335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22241 6889SOL HW122239 4.237 1.436 4.476 -0.0700 -0.7346 1.9988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22242 6889SOL HW222240 4.311 1.298 4.427 -0.7219 -0.1529 -0.8148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22243 6890SOL OW22241 4.633 0.709 4.628 0.6671 -0.2404 -0.2631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22244 6890SOL HW122242 4.592 0.779 4.686 -1.6044 -0.8426 -1.0454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22245 6890SOL HW222243 4.629 0.620 4.675 -0.5923 -0.6146 -1.0520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22246 6891SOL OW22244 3.693 0.520 4.793 0.0984 0.3997 0.0784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22247 6891SOL HW122245 3.755 0.441 4.787 -0.3670 0.0658 -0.5434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22248 6891SOL HW222246 3.725 0.582 4.864 -0.2004 -0.9430 1.4420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22249 6892SOL OW22247 3.948 0.656 5.252 -0.1168 0.0588 -0.1280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22250 6892SOL HW122248 4.028 0.711 5.277 -1.0922 1.2750 0.4464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22251 6892SOL HW222249 3.970 0.600 5.173 1.3422 0.2665 0.0978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22252 6893SOL OW22250 4.947 0.908 5.326 0.3102 0.0601 0.4816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22253 6893SOL HW122251 4.990 0.997 5.338 -0.1493 0.4429 -0.5722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22254 6893SOL HW222252 4.948 0.883 5.229 0.2504 -0.9909 0.7367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22255 6894SOL OW22253 4.366 0.329 3.886 0.7350 -0.5545 0.0752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22256 6894SOL HW122254 4.360 0.229 3.882 -1.4091 -0.4455 -1.0866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22257 6894SOL HW222255 4.275 0.368 3.871 1.4857 1.5842 0.7792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22258 6895SOL OW22256 5.292 0.533 4.726 0.2775 -0.0580 -0.2216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22259 6895SOL HW122257 5.322 0.501 4.816 -0.3527 -2.4014 -0.7805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22260 6895SOL HW222258 5.368 0.528 4.662 0.2315 -0.2047 -0.2634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22261 6896SOL OW22259 3.870 1.427 5.453 -0.7533 0.5622 -0.1191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22262 6896SOL HW122260 3.950 1.382 5.413 -0.7300 0.9323 -0.5027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22263 6896SOL HW222261 3.806 1.358 5.487 -0.3270 0.2628 0.0826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22264 6897SOL OW22262 4.347 0.458 4.740 -0.7289 -0.2745 0.4490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22265 6897SOL HW122263 4.324 0.361 4.748 -0.9655 -0.2880 -0.3455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22266 6897SOL HW222264 4.330 0.489 4.647 2.5551 -0.3023 -0.2876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22267 6898SOL OW22265 4.513 1.644 5.194 -0.2944 0.1688 -0.2271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22268 6898SOL HW122266 4.506 1.607 5.101 -1.0809 1.8582 -0.8701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22269 6898SOL HW222267 4.572 1.724 5.194 0.0229 -0.0475 0.8304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22270 6899SOL OW22268 4.154 0.479 3.849 0.3286 0.1310 0.5107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22271 6899SOL HW122269 4.159 0.561 3.907 0.6605 -1.6830 3.2437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22272 6899SOL HW222270 4.060 0.464 3.820 0.1778 1.1847 0.4274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22273 6900SOL OW22271 3.794 1.188 5.250 0.4842 0.0612 0.1465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22274 6900SOL HW122272 3.810 1.093 5.277 -0.4614 0.6134 3.0914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22275 6900SOL HW222273 3.840 1.207 5.164 -0.8518 -3.5404 -1.5551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22276 6901SOL OW22274 4.760 0.921 4.896 0.3245 -0.1575 -0.4017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22277 6901SOL HW122275 4.661 0.908 4.898 0.3587 -0.3971 -0.1865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22278 6901SOL HW222276 4.795 0.897 4.805 0.1809 -0.0468 -0.4858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22279 6902SOL OW22277 5.059 0.849 3.861 -0.0396 -1.0108 -0.0022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22280 6902SOL HW122278 5.055 0.756 3.898 -1.6331 -0.6895 0.7061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22281 6902SOL HW222279 4.993 0.858 3.786 0.1948 -0.4707 -0.1517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22282 6903SOL OW22280 5.488 1.840 4.864 -0.1121 -0.2866 0.1331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22283 6903SOL HW122281 5.560 1.898 4.902 -0.5544 0.3120 0.0812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22284 6903SOL HW222282 5.459 1.877 4.776 1.3281 -2.0092 -1.1172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22285 6904SOL OW22283 4.876 1.615 4.980 0.1216 0.2698 -0.5212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22286 6904SOL HW122284 4.922 1.688 4.928 -3.2233 0.6733 -3.3497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22287 6904SOL HW222285 4.840 1.547 4.916 -3.8386 0.4643 1.2111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22288 6905SOL OW22286 3.748 1.236 4.576 0.2780 -0.8644 -0.6634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22289 6905SOL HW122287 3.662 1.236 4.524 -1.2050 -2.5489 1.5983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22290 6905SOL HW222288 3.738 1.291 4.658 1.8966 0.0587 -1.0339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22291 6906SOL OW22289 4.199 1.652 5.490 -0.3734 -0.2040 0.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22292 6906SOL HW122290 4.139 1.731 5.496 1.1340 1.1110 -1.1859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22293 6906SOL HW222291 4.206 1.623 5.394 1.5277 0.0199 0.2105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22294 6907SOL OW22292 5.519 0.190 4.080 -0.6084 -0.0842 0.2656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22295 6907SOL HW122293 5.567 0.247 4.012 -0.7938 -0.2428 0.0015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22296 6907SOL HW222294 5.513 0.096 4.046 1.3256 -0.7049 1.4860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22297 6908SOL OW22295 4.978 1.325 4.096 -0.1286 0.6719 -0.1340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22298 6908SOL HW122296 4.981 1.384 4.016 1.5815 0.4018 -0.2906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22299 6908SOL HW222297 4.959 1.231 4.068 -2.3540 1.0058 0.0725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22300 6909SOL OW22298 3.680 1.699 5.714 0.4536 0.0861 -0.4194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22301 6909SOL HW122299 3.649 1.617 5.762 1.5311 0.0261 0.1912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22302 6909SOL HW222300 3.742 1.751 5.772 0.2417 1.0430 -1.0193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22303 6910SOL OW22301 4.780 0.716 4.271 -0.3608 -0.1488 0.4684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22304 6910SOL HW122302 4.878 0.715 4.287 0.0321 1.2142 -1.5822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22305 6910SOL HW222303 4.744 0.807 4.291 -1.3239 -0.7578 1.6472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22306 6911SOL OW22304 4.467 1.247 5.171 0.0684 -0.1667 -0.3461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22307 6911SOL HW122305 4.531 1.318 5.142 -0.0593 -0.2113 -0.7521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22308 6911SOL HW222306 4.413 1.279 5.249 1.3043 -0.5210 0.6816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22309 6912SOL OW22307 5.388 1.562 5.191 -0.1567 0.2653 -0.0931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22310 6912SOL HW122308 5.454 1.590 5.121 1.6055 1.4380 1.8942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22311 6912SOL HW222309 5.344 1.643 5.230 -2.6085 -0.4831 -1.1356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22312 6913SOL OW22310 5.452 0.231 4.495 -0.0225 0.2170 0.0880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22313 6913SOL HW122311 5.448 0.131 4.485 -1.1295 0.3009 -0.4710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22314 6913SOL HW222312 5.410 0.257 4.582 0.3637 0.1921 0.2835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22315 6914SOL OW22313 3.928 0.222 4.275 0.5414 -0.0077 0.0573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22316 6914SOL HW122314 3.847 0.279 4.287 0.4241 -0.3097 0.7296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22317 6914SOL HW222315 4.000 0.252 4.336 1.1379 0.5989 -0.9175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22318 6915SOL OW22316 4.941 1.499 3.872 0.6655 -0.5047 -0.0771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22319 6915SOL HW122317 4.912 1.414 3.828 1.4074 -0.2010 -1.2131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22320 6915SOL HW222318 4.862 1.559 3.883 0.0455 -1.5005 1.1691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22321 6916SOL OW22319 4.480 0.963 5.123 0.5597 0.4197 0.4462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22322 6916SOL HW122320 4.534 0.958 5.039 0.4256 -1.4901 0.4337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22323 6916SOL HW222321 4.474 1.059 5.153 1.6119 0.9935 -1.0434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22324 6917SOL OW22322 4.679 0.776 3.950 0.3152 0.1201 0.6091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22325 6917SOL HW122323 4.636 0.803 3.863 -0.6075 -0.9557 0.7148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22326 6917SOL HW222324 4.678 0.677 3.958 -0.1902 0.2291 2.1420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22327 6918SOL OW22325 5.154 1.668 3.797 -0.1610 -0.2555 0.1006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22328 6918SOL HW122326 5.089 1.602 3.834 2.4286 -1.6199 2.7447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22329 6918SOL HW222327 5.222 1.620 3.741 0.7223 0.4067 0.5676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22330 6919SOL OW22328 4.176 1.536 5.248 0.3248 0.1198 0.1987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22331 6919SOL HW122329 4.094 1.591 5.236 -0.6034 -1.2303 0.1143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22332 6919SOL HW222330 4.230 1.538 5.164 -0.4526 -0.2880 -0.3188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22333 6920SOL OW22331 5.269 1.237 4.945 0.3454 0.4102 0.6644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22334 6920SOL HW122332 5.368 1.246 4.944 0.3963 0.5210 2.6485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22335 6920SOL HW222333 5.231 1.294 5.018 -1.1581 0.1405 0.1310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22336 6921SOL OW22334 4.797 1.076 4.508 -0.3539 -0.6907 -0.6590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22337 6921SOL HW122335 4.741 1.055 4.428 2.3156 0.0852 -2.8512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22338 6921SOL HW222336 4.828 0.990 4.550 0.1726 -1.1279 -1.9052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22339 6922SOL OW22337 4.619 0.144 4.677 -0.0900 0.3295 -0.0566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22340 6922SOL HW122338 4.693 0.092 4.635 1.6047 1.0449 1.9159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22341 6922SOL HW222339 4.580 0.092 4.753 -1.1400 0.2912 -0.5939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22342 6923SOL OW22340 5.465 0.438 4.962 0.1478 0.2341 -0.5482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22343 6923SOL HW122341 5.547 0.496 4.960 -0.2256 0.8302 0.3398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22344 6923SOL HW222342 5.490 0.345 4.988 0.9152 -0.3528 -3.1215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22345 6924SOL OW22343 4.217 1.364 3.856 0.4753 -0.2514 -0.2793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22346 6924SOL HW122344 4.296 1.394 3.802 0.8700 -0.8168 -0.0140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22347 6924SOL HW222345 4.209 1.265 3.851 0.3534 -0.2820 0.4807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22348 6925SOL OW22346 3.833 0.912 5.359 -0.5249 0.2139 0.2341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22349 6925SOL HW122347 3.768 0.913 5.435 -0.2869 -1.4262 0.5044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22350 6925SOL HW222348 3.926 0.917 5.396 -0.4419 2.4643 -0.1449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22351 6926SOL OW22349 4.549 0.428 5.251 0.8708 0.7873 0.5983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22352 6926SOL HW122350 4.543 0.328 5.260 2.2663 0.4776 -1.2167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22353 6926SOL HW222351 4.477 0.471 5.305 -1.0958 -1.2943 -0.1781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22354 6927SOL OW22352 3.552 0.190 3.711 0.6221 -0.4483 0.0693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22355 6927SOL HW122353 3.485 0.147 3.649 0.2413 -0.3984 0.4424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22356 6927SOL HW222354 3.562 0.287 3.687 -1.5652 0.2853 1.7494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22357 6928SOL OW22355 4.993 0.879 5.031 0.1733 -0.1416 0.3289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22358 6928SOL HW122356 4.914 0.882 4.969 0.8161 0.4521 -0.4809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22359 6928SOL HW222357 5.077 0.878 4.977 0.7741 1.3313 1.1912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22360 6929SOL OW22358 3.597 0.119 3.975 0.0048 -0.1329 0.0334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22361 6929SOL HW122359 3.581 0.150 3.882 0.7915 2.4979 0.6705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22362 6929SOL HW222360 3.694 0.095 3.987 0.1490 0.6127 0.4238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22363 6930SOL OW22361 4.880 1.259 3.795 0.4825 0.3428 0.0665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22364 6930SOL HW122362 4.972 1.226 3.772 0.3752 1.2423 -1.8414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22365 6930SOL HW222363 4.831 1.189 3.847 1.4366 -1.0881 -0.8920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22366 6931SOL OW22364 4.300 0.773 5.139 -0.5577 0.6730 -0.3836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22367 6931SOL HW122365 4.357 0.854 5.155 0.5637 -0.4619 1.8247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22368 6931SOL HW222366 4.345 0.714 5.073 -0.1480 0.7110 -0.1423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22369 6932SOL OW22367 5.129 1.770 4.825 0.2349 -0.1538 -0.5671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22370 6932SOL HW122368 5.192 1.818 4.765 1.2816 0.6981 1.1380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22371 6932SOL HW222369 5.125 1.674 4.799 1.5897 -0.0482 -1.2389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22372 6933SOL OW22370 4.374 0.514 5.492 0.5073 -0.7957 0.3325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22373 6933SOL HW122371 4.418 0.582 5.550 -1.0020 -0.3096 0.9398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22374 6933SOL HW222372 4.404 0.423 5.519 0.3365 -0.5366 1.4525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22375 6934SOL OW22373 5.022 1.165 5.409 0.2691 0.5145 0.2303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22376 6934SOL HW122374 5.121 1.150 5.411 -0.0143 -1.7005 1.2274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22377 6934SOL HW222375 5.003 1.263 5.401 2.5155 0.9131 -0.9564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22378 6935SOL OW22376 3.815 1.683 5.473 -0.0399 -0.0614 0.2051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22379 6935SOL HW122377 3.766 1.694 5.560 -1.7082 1.2947 -0.8471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22380 6935SOL HW222378 3.848 1.589 5.465 -1.2708 -0.6585 1.5877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22381 6936SOL OW22379 5.202 0.863 4.875 -0.9220 -0.0286 0.0911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22382 6936SOL HW122380 5.254 0.793 4.827 0.2722 0.1193 1.1136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22383 6936SOL HW222381 5.189 0.942 4.816 -0.8135 -0.4492 -0.4997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22384 6937SOL OW22382 4.860 0.244 4.294 0.5930 -0.0061 -0.1808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22385 6937SOL HW122383 4.903 0.295 4.219 -1.3587 -0.8364 -1.9536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22386 6937SOL HW222384 4.779 0.294 4.326 -0.1380 -0.9671 -0.5044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22387 6938SOL OW22385 4.252 0.965 4.553 0.4235 -0.3624 -0.0522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22388 6938SOL HW122386 4.263 1.011 4.465 0.8222 1.0951 0.7151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22389 6938SOL HW222387 4.159 0.930 4.561 -0.0749 0.8100 -0.4708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22390 6939SOL OW22388 5.338 0.497 5.198 -0.0645 0.4032 0.2777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22391 6939SOL HW122389 5.399 0.519 5.122 -0.4870 -0.8289 -0.4307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22392 6939SOL HW222390 5.355 0.404 5.229 0.4048 1.0201 2.0111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22393 6940SOL OW22391 5.316 0.977 5.109 -0.0305 -0.4447 -0.1988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22394 6940SOL HW122392 5.294 1.074 5.107 -1.3702 -0.7063 0.4230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22395 6940SOL HW222393 5.268 0.931 5.034 1.3328 -0.5112 -1.0657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22396 6941SOL OW22394 4.432 1.090 3.904 -0.1957 -0.1382 0.0430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22397 6941SOL HW122395 4.422 1.013 3.967 2.2617 0.5966 1.4354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22398 6941SOL HW222396 4.376 1.073 3.822 0.7693 -3.7459 -0.0430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22399 6942SOL OW22397 4.280 1.610 4.536 -0.6908 0.3239 -0.2030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22400 6942SOL HW122398 4.295 1.615 4.635 -0.9146 0.4575 -0.1758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22401 6942SOL HW222399 4.338 1.678 4.491 0.6255 -0.8023 -0.3018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22402 6943SOL OW22400 4.654 0.991 4.311 -0.5219 0.1863 0.0445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22403 6943SOL HW122401 4.566 0.944 4.316 -0.0685 -0.6751 0.2332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22404 6943SOL HW222402 4.681 1.000 4.215 -0.3671 -0.4367 0.0222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22405 6944SOL OW22403 4.591 0.810 3.674 -0.5450 0.0395 0.7307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22406 6944SOL HW122404 4.577 0.909 3.680 -0.0676 0.1968 -0.3897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22407 6944SOL HW222405 4.688 0.791 3.657 -0.4084 -0.7011 2.1811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22408 6945SOL OW22406 5.393 1.667 4.467 0.1329 -0.2204 -0.0339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22409 6945SOL HW122407 5.425 1.644 4.375 -0.5437 -1.1946 -0.0330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22410 6945SOL HW222408 5.383 1.583 4.521 -2.0339 0.0632 0.0878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22411 6946SOL OW22409 4.067 1.228 5.528 -0.2329 0.6773 -0.6030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22412 6946SOL HW122410 4.022 1.145 5.497 -0.3706 0.5591 -0.0992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22413 6946SOL HW222411 4.013 1.270 5.602 0.5765 0.4257 0.1492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22414 6947SOL OW22412 3.647 1.099 4.283 0.7297 0.2325 0.2859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22415 6947SOL HW122413 3.596 1.022 4.321 -0.0069 0.7961 0.4535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22416 6947SOL HW222414 3.741 1.071 4.267 0.1495 -1.1334 -0.9638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22417 6948SOL OW22415 4.483 1.512 5.453 0.0540 0.1816 0.1489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22418 6948SOL HW122416 4.415 1.438 5.447 0.0076 -0.0755 2.7547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22419 6948SOL HW222417 4.471 1.574 5.376 -1.6556 -1.0937 -0.6843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22420 6949SOL OW22418 5.409 0.167 4.950 -0.7360 0.2459 -0.6126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22421 6949SOL HW122419 5.486 0.110 4.921 -0.0514 0.7942 0.0988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22422 6949SOL HW222420 5.344 0.175 4.874 -1.0882 -1.8409 -0.5904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22423 6950SOL OW22421 4.218 0.277 4.160 -0.1220 0.0776 -0.1479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22424 6950SOL HW122422 4.164 0.261 4.077 1.1867 0.0447 -1.0251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22425 6950SOL HW222423 4.277 0.199 4.177 -0.8532 -0.2052 1.2305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22426 6951SOL OW22424 5.357 1.512 4.693 -0.4106 0.6519 0.4893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22427 6951SOL HW122425 5.265 1.508 4.732 -0.1756 -0.3799 0.9709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22428 6951SOL HW222426 5.423 1.535 4.765 -0.1580 0.2875 0.3777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22429 6952SOL OW22427 4.051 0.639 4.842 -0.3587 0.4576 0.2892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22430 6952SOL HW122428 4.100 0.590 4.914 -0.5604 1.3195 1.0360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22431 6952SOL HW222429 4.023 0.574 4.771 0.0931 -0.3656 0.8428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22432 6953SOL OW22430 4.723 1.462 4.197 0.3547 0.1567 0.0494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22433 6953SOL HW122431 4.676 1.394 4.141 0.7633 -0.9377 1.0003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22434 6953SOL HW222432 4.808 1.423 4.233 -0.5187 0.3415 2.4941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22435 6954SOL OW22433 4.983 0.149 4.890 -0.4081 0.0171 -0.6705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22436 6954SOL HW122434 4.923 0.083 4.845 0.9919 -1.4938 -0.4468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22437 6954SOL HW222435 4.943 0.177 4.977 -0.8655 -0.8655 -0.5864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22438 6955SOL OW22436 4.614 7.214 4.852 0.0284 -0.4519 0.0385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22439 6955SOL HW122437 4.580 7.137 4.906 -1.2195 -1.7145 -2.4363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22440 6955SOL HW222438 4.706 7.194 4.819 0.1833 -0.3289 0.3844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22441 6956SOL OW22439 4.155 1.101 3.772 -0.2360 -0.3806 0.0350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22442 6956SOL HW122440 4.192 1.009 3.787 -1.0594 -1.0307 -1.6784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22443 6956SOL HW222441 4.057 1.096 3.758 -0.5409 0.9777 1.4169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22444 6957SOL OW22442 4.281 1.519 4.988 -1.0396 0.8096 -0.6012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22445 6957SOL HW122443 4.261 1.590 4.921 -1.8369 1.9184 0.7600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22446 6957SOL HW222444 4.380 1.508 4.997 -0.8703 2.5395 -0.0680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22447 6958SOL OW22445 4.947 0.010 4.169 0.4276 -0.1635 0.5149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22448 6958SOL HW122446 5.012 0.083 4.147 -0.0542 -0.2620 -1.3986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22449 6958SOL HW222447 4.887 0.040 4.243 2.6844 -0.1301 2.4424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22450 6959SOL OW22448 4.709 0.447 4.408 0.5301 0.8221 0.1673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22451 6959SOL HW122449 4.695 0.546 4.403 -0.2217 0.8050 1.4710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22452 6959SOL HW222450 4.627 0.404 4.445 0.9921 -0.2606 -0.0377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22453 6960SOL OW22451 5.212 0.265 4.760 0.6208 -0.3468 0.7311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22454 6960SOL HW122452 5.135 0.261 4.825 -0.5976 -0.4230 -0.6711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22455 6960SOL HW222453 5.215 0.355 4.717 1.1923 -0.4192 0.6158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22456 6961SOL OW22454 4.034 0.746 3.773 -0.2602 0.1733 -0.1801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22457 6961SOL HW122455 3.967 0.675 3.793 -0.9377 0.8412 -0.0162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22458 6961SOL HW222456 4.109 0.741 3.839 -0.3726 -0.2923 -0.0835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22459 6962SOL OW22457 3.894 0.741 5.672 -0.5248 0.1652 -0.5061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22460 6962SOL HW122458 3.841 0.692 5.603 -0.6667 -1.2466 0.5544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22461 6962SOL HW222459 3.952 0.809 5.627 -2.1395 0.7453 -1.8154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22462 6963SOL OW22460 3.592 0.456 6.476 -0.1606 0.2128 0.1747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22463 6963SOL HW122461 3.579 0.363 6.511 -1.2478 0.3225 0.1019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22464 6963SOL HW222462 3.527 0.473 6.402 0.9175 0.5938 -0.7169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22465 6964SOL OW22463 3.567 0.337 6.072 0.1963 -0.2286 -0.2137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22466 6964SOL HW122464 3.532 0.400 6.143 2.1836 1.6717 -0.8047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22467 6964SOL HW222465 3.510 0.255 6.069 -2.0704 1.1864 1.1586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22468 6965SOL OW22466 4.241 1.163 6.747 -0.0298 -0.0168 0.1706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22469 6965SOL HW122467 4.234 1.257 6.713 -1.2781 -0.3675 -0.5675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22470 6965SOL HW222468 4.162 1.142 6.804 0.3570 -0.5602 0.5141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22471 6966SOL OW22469 5.287 1.388 6.286 0.0406 -0.2319 -0.3375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22472 6966SOL HW122470 5.233 1.388 6.369 -1.0598 2.1005 -0.9569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22473 6966SOL HW222471 5.227 1.400 6.207 1.2894 0.5129 -1.2159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22474 6967SOL OW22472 4.874 0.601 6.245 -0.2512 0.4164 -0.1719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22475 6967SOL HW122473 4.943 0.668 6.217 -0.8693 0.6555 -1.1647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22476 6967SOL HW222474 4.902 0.559 6.332 0.4029 1.5725 0.2007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22477 6968SOL OW22475 5.479 0.702 5.655 0.3058 0.3580 0.0274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22478 6968SOL HW122476 5.513 0.672 5.566 -0.4968 0.0852 -0.1964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22479 6968SOL HW222477 5.509 0.637 5.726 -0.4493 -0.3589 -0.2899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22480 6969SOL OW22478 4.415 1.001 6.575 -0.2451 -0.1607 0.8321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22481 6969SOL HW122479 4.340 1.059 6.607 -0.7622 -0.5259 0.2890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22482 6969SOL HW222480 4.463 1.047 6.500 -1.0448 -0.6990 -0.0170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22483 6970SOL OW22481 4.397 0.907 0.096 0.2185 -0.3235 0.3675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22484 6970SOL HW122482 4.393 1.007 0.092 0.5373 -0.2836 1.0291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22485 6970SOL HW222483 4.432 0.871 0.009 1.2837 0.2048 0.5771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22486 6971SOL OW22484 4.177 0.876 6.158 0.7829 0.2562 0.2907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22487 6971SOL HW122485 4.210 0.844 6.247 -0.3462 -0.6115 0.4271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22488 6971SOL HW222486 4.097 0.935 6.172 -1.0796 -2.0160 -0.2019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22489 6972SOL OW22487 4.010 1.435 6.669 -0.0556 -0.2850 0.6508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22490 6972SOL HW122488 3.919 1.396 6.652 0.2112 -1.6499 2.1594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22491 6972SOL HW222489 4.078 1.384 6.617 -0.2593 1.8714 -1.9417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22492 6973SOL OW22490 5.164 1.403 6.870 -0.0209 0.5894 0.1818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22493 6973SOL HW122491 5.240 1.411 6.934 -0.6037 0.4075 0.9163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22494 6973SOL HW222492 5.098 1.337 6.905 -0.9597 1.4084 0.0194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22495 6974SOL OW22493 4.132 0.322 6.930 -0.0790 -0.3445 0.2904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22496 6974SOL HW122494 4.223 0.283 6.941 -0.4253 -1.2586 -0.0602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22497 6974SOL HW222495 4.106 0.369 7.014 1.5870 1.8347 -0.2945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22498 6975SOL OW22496 5.369 0.250 6.427 -0.3223 -0.0681 0.3061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22499 6975SOL HW122497 5.307 0.264 6.349 1.0279 -2.7744 -1.4154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22500 6975SOL HW222498 5.444 0.315 6.421 -0.6690 0.3021 -0.1835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22501 6976SOL OW22499 4.018 1.466 6.265 -0.2111 -0.2932 -0.1217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22502 6976SOL HW122500 4.000 1.541 6.329 -2.4324 0.9372 -2.0186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22503 6976SOL HW222501 4.110 1.476 6.227 -0.8960 2.3515 -1.3158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22504 6977SOL OW22502 3.944 1.288 6.065 0.4750 0.0485 -0.1981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22505 6977SOL HW122503 3.968 1.361 6.129 2.2970 -0.6116 -0.0703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22506 6977SOL HW222504 3.845 1.276 6.065 0.4043 -0.4030 3.0938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22507 6978SOL OW22505 3.742 1.075 6.321 0.1048 -0.1167 -0.2555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22508 6978SOL HW122506 3.733 0.982 6.358 -0.6084 0.4215 0.9564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22509 6978SOL HW222507 3.671 1.134 6.359 -0.1535 0.6823 -1.8806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22510 6979SOL OW22508 4.338 1.924 6.998 0.2406 0.3805 0.4639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22511 6979SOL HW122509 4.319 1.866 7.078 -0.5498 1.2178 0.8857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22512 6979SOL HW222510 4.418 1.981 7.017 0.5002 0.0566 0.3679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22513 6980SOL OW22511 4.258 1.037 5.748 -0.0220 0.2198 0.3896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22514 6980SOL HW122512 4.328 1.062 5.680 1.0202 -1.9566 0.5666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22515 6980SOL HW222513 4.303 1.007 5.832 -1.2722 1.2220 1.4508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22516 6981SOL OW22514 5.241 6.993 6.940 -0.5863 -0.3986 0.1448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22517 6981SOL HW122515 5.200 7.073 6.896 0.5380 1.0298 1.5448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22518 6981SOL HW222516 5.233 7.003 7.039 -1.2451 -2.5219 0.3532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22519 6982SOL OW22517 3.591 0.598 5.956 -0.1662 -0.1461 0.3491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22520 6982SOL HW122518 3.584 0.498 5.956 0.5668 -0.2189 -1.3466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22521 6982SOL HW222519 3.684 0.624 5.981 0.1471 0.0499 -1.0003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22522 6983SOL OW22520 5.695 1.596 6.032 0.0594 -0.0879 0.5318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22523 6983SOL HW122521 5.794 1.607 6.033 0.1242 -0.6314 0.2953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22524 6983SOL HW222522 5.658 1.615 6.123 0.3679 0.1942 0.5991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22525 6984SOL OW22523 3.634 1.432 5.797 -0.2159 0.4988 -0.7085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22526 6984SOL HW122524 3.565 1.398 5.733 0.5719 -0.6255 -0.9784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22527 6984SOL HW222525 3.599 1.425 5.891 -0.8670 0.9389 -0.9094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22528 6985SOL OW22526 5.246 0.575 6.205 0.3732 0.4497 0.3932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22529 6985SOL HW122527 5.329 0.604 6.253 0.0200 -0.2988 1.5081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22530 6985SOL HW222528 5.267 0.561 6.108 1.3523 1.0358 0.5056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22531 6986SOL OW22529 5.616 0.808 6.123 0.4219 0.0515 0.3165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22532 6986SOL HW122530 5.620 0.870 6.044 -0.4026 -2.2580 -1.6826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22533 6986SOL HW222531 5.702 0.812 6.174 1.0487 1.4951 -0.7952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22534 6987SOL OW22532 3.861 0.669 7.156 0.0744 -0.4045 -0.2010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22535 6987SOL HW122533 3.954 0.701 7.175 0.4924 -1.5939 -0.1699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22536 6987SOL HW222534 3.810 0.740 7.107 0.7149 0.5901 0.5691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22537 6988SOL OW22535 4.259 1.155 6.250 0.6693 -0.0018 0.0471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22538 6988SOL HW122536 4.181 1.092 6.241 1.5502 -1.1160 -0.0343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22539 6988SOL HW222537 4.258 1.219 6.173 -0.3540 0.2297 0.2341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22540 6989SOL OW22538 4.742 1.029 6.940 -0.1303 -0.0742 0.3892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22541 6989SOL HW122539 4.802 0.984 6.873 -0.1794 -0.2795 0.4822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22542 6989SOL HW222540 4.787 1.031 7.029 0.1544 0.6676 0.2375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22543 6990SOL OW22541 4.430 0.119 6.137 -0.0102 0.2082 -0.1266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22544 6990SOL HW122542 4.431 0.208 6.093 -0.0366 0.4015 0.2640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22545 6990SOL HW222543 4.336 0.094 6.160 0.1410 0.8436 1.2952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22546 6991SOL OW22544 3.878 1.017 6.771 -0.6343 0.0710 -0.4871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22547 6991SOL HW122545 3.956 0.984 6.717 -0.2072 0.3701 -0.0666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22548 6991SOL HW222546 3.802 0.952 6.763 0.2342 -1.1074 0.4288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22549 6992SOL OW22547 5.213 0.925 5.899 0.2918 -0.1144 0.0692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22550 6992SOL HW122548 5.164 0.966 5.823 1.7262 -0.8323 -1.3244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22551 6992SOL HW222549 5.281 0.990 5.934 0.8304 -0.3801 -0.4567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22552 6993SOL OW22550 5.098 1.680 7.079 0.0921 -0.0272 0.5826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22553 6993SOL HW122551 5.127 1.766 7.039 -2.2589 0.0124 -1.2798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22554 6993SOL HW222552 5.107 1.607 7.011 -0.0251 -0.8221 1.4018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22555 6994SOL OW22553 3.643 0.329 0.229 0.4580 0.0671 0.1027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22556 6994SOL HW122554 3.734 0.368 0.216 0.6037 -0.6653 -1.3210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22557 6994SOL HW222555 3.590 0.339 0.144 -0.8226 0.5423 0.9184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22558 6995SOL OW22556 5.094 1.447 6.495 0.4981 0.0562 0.0728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22559 6995SOL HW122557 5.056 1.509 6.563 -2.1350 0.3254 -1.5130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22560 6995SOL HW222558 5.127 1.364 6.540 -1.7565 -0.0725 1.6613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22561 6996SOL OW22559 5.436 1.903 6.164 -0.2914 0.2045 0.5374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22562 6996SOL HW122560 5.441 1.808 6.135 -0.1604 0.3212 0.1658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22563 6996SOL HW222561 5.505 1.920 6.234 0.4443 0.2923 -0.1856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22564 6997SOL OW22562 4.419 0.716 5.684 -0.2266 0.2712 -0.8902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22565 6997SOL HW122563 4.475 0.798 5.669 -0.1963 0.9432 2.1952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22566 6997SOL HW222564 4.358 0.732 5.762 -0.5952 -2.4792 -0.5363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22567 6998SOL OW22565 4.943 0.457 6.489 0.4640 0.2490 -0.4132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22568 6998SOL HW122566 4.908 0.472 6.581 -0.4052 -1.4963 -0.4252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22569 6998SOL HW222567 5.042 0.444 6.492 0.5321 0.8865 0.1754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22570 6999SOL OW22568 5.419 1.640 6.124 0.1186 0.5190 0.0059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22571 6999SOL HW122569 5.487 1.595 6.066 1.1661 0.6786 1.0831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22572 6999SOL HW222570 5.337 1.583 6.129 -0.0008 0.5040 -1.6110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22573 7000SOL OW22571 4.300 0.586 6.836 -0.2488 0.3225 -0.0830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22574 7000SOL HW122572 4.226 0.638 6.795 0.0544 0.6234 -0.2517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22575 7000SOL HW222573 4.320 0.505 6.781 0.7709 1.2036 -1.0477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22576 7001SOL OW22574 4.494 0.849 7.093 0.2231 0.2166 -0.5873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22577 7001SOL HW122575 4.419 0.783 7.087 -2.9559 3.4655 -0.1407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22578 7001SOL HW222576 4.504 0.896 7.005 -0.2065 1.6652 0.1090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22579 7002SOL OW22577 4.639 0.659 6.787 -0.3663 -0.0864 0.1944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22580 7002SOL HW122578 4.595 0.718 6.855 1.1256 -0.9774 2.0274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22581 7002SOL HW222579 4.599 0.568 6.791 0.6371 -0.5124 0.8801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22582 7003SOL OW22580 4.881 0.513 5.982 1.1889 -0.2461 0.5989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22583 7003SOL HW122581 4.873 0.546 6.076 -1.5970 0.7744 0.1008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22584 7003SOL HW222582 4.843 0.421 5.976 0.5620 0.0234 0.3379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22585 7004SOL OW22583 3.808 0.700 6.108 -0.0187 0.1909 -0.1080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22586 7004SOL HW122584 3.855 0.612 6.103 -1.3080 -0.5201 -0.2757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22587 7004SOL HW222585 3.851 0.765 6.046 -1.0371 -1.3209 -2.5357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22588 7005SOL OW22586 3.858 1.821 7.063 -0.0195 0.1456 0.2043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22589 7005SOL HW122587 3.894 1.903 7.019 -1.4237 0.6274 -0.0735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22590 7005SOL HW222588 3.848 1.838 7.161 -0.4887 0.3852 0.1190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22591 7006SOL OW22589 4.694 0.152 5.709 -0.1164 0.6960 -0.3906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22592 7006SOL HW122590 4.761 0.176 5.638 -0.2640 1.2280 -0.3598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22593 7006SOL HW222591 4.727 0.074 5.761 0.0045 0.3081 -1.0356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22594 7007SOL OW22592 5.325 1.189 6.011 -0.0774 -0.7506 -0.1822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22595 7007SOL HW122593 5.383 1.235 6.078 2.0016 0.4379 -2.6432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22596 7007SOL HW222594 5.229 1.193 6.042 0.6029 1.0231 1.9697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22597 7008SOL OW22595 3.981 0.230 6.459 -0.3907 -0.5567 0.0326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22598 7008SOL HW122596 4.038 0.228 6.541 -1.0029 -0.0271 0.4827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22599 7008SOL HW222597 3.993 0.318 6.412 -2.6598 0.6096 1.4799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22600 7009SOL OW22598 4.856 1.434 6.015 -0.1846 0.1157 0.0173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22601 7009SOL HW122599 4.806 1.511 5.976 -0.1640 0.5139 0.7625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22602 7009SOL HW222600 4.864 1.445 6.114 -0.3625 -0.9491 0.1668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22603 7010SOL OW22601 4.038 1.655 6.466 0.3447 0.6038 0.2183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22604 7010SOL HW122602 4.001 1.619 6.552 0.4241 0.4918 0.2065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22605 7010SOL HW222603 4.137 1.643 6.465 0.1489 -1.3634 -0.7880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22606 7011SOL OW22604 5.463 1.106 6.430 0.4188 0.2465 -0.1813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22607 7011SOL HW122605 5.492 1.123 6.335 0.6577 1.8498 0.1437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22608 7011SOL HW222606 5.380 1.158 6.448 -0.0493 -0.6584 0.2737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22609 7012SOL OW22607 4.944 1.306 7.019 0.9581 -0.0255 -0.1131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22610 7012SOL HW122608 4.929 1.231 7.083 -0.4114 -0.7454 -1.2025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22611 7012SOL HW222609 4.860 1.321 6.966 1.4530 1.7885 -0.4399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22612 7013SOL OW22610 3.934 0.841 5.920 0.6298 0.3216 -0.2134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22613 7013SOL HW122611 3.891 0.814 5.833 -0.4302 -1.3490 0.7616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22614 7013SOL HW222612 4.033 0.838 5.910 0.5539 1.4615 -1.7250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22615 7014SOL OW22613 5.093 0.832 6.135 -0.2371 0.1796 -0.0642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22616 7014SOL HW122614 5.146 0.751 6.162 0.1981 0.6200 0.4147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22617 7014SOL HW222615 5.132 0.871 6.052 -0.2620 0.0733 -0.1262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22618 7015SOL OW22616 4.069 1.254 0.013 -0.0648 0.3444 0.5835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22619 7015SOL HW122617 4.028 1.334 -0.030 0.3316 -0.4237 -1.3218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22620 7015SOL HW222618 4.034 1.171 -0.032 1.5320 -0.4292 0.7199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22621 7016SOL OW22619 4.794 1.632 5.815 0.2090 -0.1345 0.6223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22622 7016SOL HW122620 4.698 1.625 5.845 0.1266 0.2020 0.4489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22623 7016SOL HW222621 4.815 1.558 5.751 -0.2789 0.4510 -0.2413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22624 7017SOL OW22622 3.891 0.158 6.875 0.3713 -0.3135 0.0722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22625 7017SOL HW122623 3.958 0.219 6.918 0.1911 1.5542 -2.0740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22626 7017SOL HW222624 3.820 0.134 6.941 0.7803 1.3584 1.1912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22627 7018SOL OW22625 5.405 1.212 5.765 -0.1060 -0.5207 -0.1621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22628 7018SOL HW122626 5.356 1.217 5.852 0.2954 1.2394 0.0143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22629 7018SOL HW222627 5.482 1.149 5.774 -0.9746 -1.5491 0.2546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22630 7019SOL OW22628 4.221 1.784 5.894 -0.2042 -0.4101 -0.2113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22631 7019SOL HW122629 4.238 1.878 5.866 0.5684 -0.6868 -0.7428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22632 7019SOL HW222630 4.264 1.722 5.828 -1.0588 -1.1414 -0.1006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22633 7020SOL OW22631 5.023 0.213 5.824 0.9063 -0.2189 0.0831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22634 7020SOL HW122632 5.009 0.126 5.776 0.5213 -0.1044 -0.0202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22635 7020SOL HW222633 5.103 0.206 5.884 -0.2522 -1.2996 1.5847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22636 7021SOL OW22634 3.819 1.668 6.710 -0.2752 -0.8486 -0.4863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22637 7021SOL HW122635 3.837 1.609 6.788 0.0171 -0.4143 -0.2231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22638 7021SOL HW222636 3.758 1.621 6.646 -0.2636 -1.3257 -0.1498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22639 7022SOL OW22637 4.716 1.759 6.418 -0.0148 0.0644 -0.5245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22640 7022SOL HW122638 4.778 1.782 6.493 1.3693 -1.4278 -1.1338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22641 7022SOL HW222639 4.677 1.668 6.434 -1.4329 0.6329 -0.5775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22642 7023SOL OW22640 4.046 0.506 5.819 0.3974 -0.0411 -0.3981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22643 7023SOL HW122641 4.033 0.412 5.785 -1.6334 0.2654 -0.5954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22644 7023SOL HW222642 3.992 0.569 5.763 1.3956 1.2074 0.0081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22645 7024SOL OW22643 4.243 0.113 5.682 -0.6082 -0.2817 -0.3722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22646 7024SOL HW122644 4.286 0.063 5.757 -0.1456 0.8358 0.1349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22647 7024SOL HW222645 4.217 0.049 5.609 -0.7940 -1.3498 0.5965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22648 7025SOL OW22646 4.496 0.168 7.235 0.0767 -0.2189 0.5605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22649 7025SOL HW122647 4.524 0.263 7.225 0.5699 -0.3673 0.5401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22650 7025SOL HW222648 4.552 0.124 7.305 -1.8643 0.2081 2.4856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22651 7026SOL OW22649 4.657 1.542 6.738 0.0883 0.0956 -0.1010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22652 7026SOL HW122650 4.668 1.540 6.638 3.4296 -0.3132 0.1504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22653 7026SOL HW222651 4.644 1.449 6.772 0.5058 0.0587 -0.0412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22654 7027SOL OW22652 5.109 0.638 6.920 0.0145 0.0067 -0.3001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22655 7027SOL HW122653 5.121 0.561 6.983 -0.0362 0.6686 0.5480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22656 7027SOL HW222654 5.180 0.707 6.939 -0.4041 0.5022 -0.5176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22657 7028SOL OW22655 4.612 1.507 6.472 0.9301 -0.4518 0.1065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22658 7028SOL HW122656 4.647 1.419 6.504 0.1313 -0.9036 -0.2161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22659 7028SOL HW222657 4.512 1.503 6.471 0.9179 -0.1084 -1.5042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22660 7029SOL OW22658 4.622 0.290 6.300 -0.0191 -0.5392 -0.2289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22661 7029SOL HW122659 4.585 0.323 6.213 1.3275 0.9645 -0.2753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22662 7029SOL HW222660 4.615 0.363 6.368 2.1342 -0.4425 -0.0488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22663 7030SOL OW22661 4.171 0.038 6.128 -0.0991 0.4512 0.6295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22664 7030SOL HW122662 4.136 0.002 6.215 -0.7526 1.5122 0.8216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22665 7030SOL HW222663 4.170 -0.035 6.060 1.0790 -0.5833 1.6740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22666 7031SOL OW22664 5.260 1.080 5.554 -0.4082 0.1486 0.1251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22667 7031SOL HW122665 5.182 1.053 5.611 0.6642 0.2223 1.7182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22668 7031SOL HW222666 5.331 1.118 5.613 0.5224 0.7970 -1.3860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22669 7032SOL OW22667 3.790 0.199 5.763 -0.0626 0.1332 0.5862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22670 7032SOL HW122668 3.728 0.232 5.692 0.4294 0.1552 0.1603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22671 7032SOL HW222669 3.885 0.218 5.736 0.0970 0.7839 1.5756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22672 7033SOL OW22670 4.572 0.342 6.008 0.1828 0.8226 -0.1604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22673 7033SOL HW122671 4.543 0.378 5.919 -0.8944 0.6102 0.0854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22674 7033SOL HW222672 4.653 0.285 5.996 -0.5894 -0.1017 -1.1821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22675 7034SOL OW22673 4.300 0.632 7.102 0.2415 0.1580 -0.6279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22676 7034SOL HW122674 4.327 0.612 7.008 -2.6858 -0.0945 -1.5103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22677 7034SOL HW222675 4.232 0.565 7.132 0.7104 0.5568 1.5058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22678 7035SOL OW22676 4.948 1.447 6.276 -0.2544 0.2649 -0.0082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22679 7035SOL HW122677 4.931 1.545 6.269 -2.6586 -0.0985 0.0458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22680 7035SOL HW222678 5.010 1.429 6.352 -0.0675 1.7001 0.1976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22681 7036SOL OW22679 3.999 1.078 6.222 0.2816 0.3084 0.0124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22682 7036SOL HW122680 3.909 1.081 6.265 0.5721 2.4219 0.5630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22683 7036SOL HW222681 4.001 1.141 6.144 1.4669 0.8092 0.4285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22684 7037SOL OW22682 4.923 1.702 6.210 -0.1062 0.1362 0.1952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22685 7037SOL HW122683 4.981 1.783 6.219 0.4672 -0.2427 -0.0176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22686 7037SOL HW222684 4.828 1.726 6.232 -0.5596 1.6269 -2.7614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22687 7038SOL OW22685 4.880 0.311 5.603 -0.6454 0.1154 -0.4462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22688 7038SOL HW122686 4.883 0.411 5.612 1.7671 0.2736 -2.1179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22689 7038SOL HW222687 4.922 0.269 5.683 -0.0226 0.5299 -0.5487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22690 7039SOL OW22688 3.765 0.520 6.939 0.2854 -0.0798 -0.1561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22691 7039SOL HW122689 3.840 0.545 6.877 -0.2460 0.9657 -0.3953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22692 7039SOL HW222690 3.783 0.556 7.030 0.4318 -0.4910 -0.0179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22693 7040SOL OW22691 4.109 0.160 6.683 0.5749 0.1829 0.0239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22694 7040SOL HW122692 4.091 0.061 6.688 0.2709 0.0371 -2.6918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22695 7040SOL HW222693 4.107 0.198 6.776 -1.5968 -1.9617 0.9938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22696 7041SOL OW22694 4.423 0.536 6.160 -0.4229 -0.3482 -0.3992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22697 7041SOL HW122695 4.422 0.621 6.108 -1.4825 0.4253 0.8457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22698 7041SOL HW222696 4.498 0.478 6.127 0.8958 1.4235 -0.6431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22699 7042SOL OW22697 4.696 0.035 6.145 -0.2937 0.1966 -0.2827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22700 7042SOL HW122698 4.739 0.112 6.098 -0.6675 0.9321 0.5478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22701 7042SOL HW222699 4.597 0.050 6.151 -0.2646 0.0680 0.6441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22702 7043SOL OW22700 5.097 1.062 6.328 -0.0260 -0.3214 0.5350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22703 7043SOL HW122701 5.068 0.967 6.337 -0.1035 -0.4252 -0.6812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22704 7043SOL HW222702 5.077 1.095 6.236 -1.5593 1.4134 1.4275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22705 7044SOL OW22703 5.044 0.758 6.504 -0.1975 -0.2120 0.2724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22706 7044SOL HW122704 5.018 0.667 6.536 0.7949 -1.4699 -2.2016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22707 7044SOL HW222705 5.141 0.774 6.524 0.1339 -0.5469 -0.9676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22708 7045SOL OW22706 5.284 0.671 5.940 -0.2966 -0.3820 0.2482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22709 7045SOL HW122707 5.219 0.610 5.895 -0.5328 -1.1011 1.5361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22710 7045SOL HW222708 5.261 0.766 5.919 -1.4074 -0.6486 0.2128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22711 7046SOL OW22709 4.178 1.338 5.788 0.1494 0.3434 -0.0043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22712 7046SOL HW122710 4.079 1.352 5.776 0.5183 1.8553 -1.7861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22713 7046SOL HW222711 4.203 1.248 5.753 -0.8186 -0.9176 2.2754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22714 7047SOL OW22712 5.516 1.288 6.187 -0.3435 0.1673 0.5651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22715 7047SOL HW122713 5.597 1.301 6.244 -0.8374 -0.4279 1.4211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22716 7047SOL HW222714 5.436 1.329 6.231 -1.1968 -2.3157 1.5095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22717 7048SOL OW22715 5.196 0.679 5.582 0.2667 0.6835 0.3449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22718 7048SOL HW122716 5.224 0.599 5.636 -1.0283 -0.0180 0.0254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22719 7048SOL HW222717 5.274 0.741 5.571 1.2716 -0.4724 0.7047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22720 7049SOL OW22718 4.034 0.268 5.671 0.0867 0.1541 -0.0232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22721 7049SOL HW122719 4.109 0.203 5.676 0.6861 0.4424 -3.3264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22722 7049SOL HW222720 4.030 0.309 5.580 -2.5504 2.0402 0.7935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22723 7050SOL OW22721 5.314 1.136 7.052 -0.1274 -0.7257 0.1636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22724 7050SOL HW122722 5.317 1.231 7.085 0.3704 -1.0893 1.1817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22725 7050SOL HW222723 5.234 1.090 7.088 -0.4910 -0.6386 -0.5135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22726 7051SOL OW22724 4.639 1.282 6.889 -0.1441 0.3344 0.2596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22727 7051SOL HW122725 4.541 1.301 6.889 -0.2995 -0.3351 -1.1567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22728 7051SOL HW222726 4.654 1.186 6.913 0.1852 0.4814 0.6557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22729 7052SOL OW22727 4.855 1.313 6.716 0.4622 -0.4888 0.4159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22730 7052SOL HW122728 4.781 1.304 6.781 -0.5018 1.2360 -0.3800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22731 7052SOL HW222729 4.831 1.266 6.631 0.4912 -0.3098 0.3093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22732 7053SOL OW22730 5.208 1.206 6.528 0.3057 0.4688 -0.0456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22733 7053SOL HW122731 5.203 1.146 6.608 0.5666 0.1149 -0.2902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22734 7053SOL HW222732 5.165 1.161 6.450 -0.1606 0.9125 -0.0470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22735 7054SOL OW22733 4.417 7.222 6.803 -0.2489 -0.0148 0.5121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22736 7054SOL HW122734 4.379 7.247 6.714 1.0743 1.1697 0.2580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22737 7054SOL HW222735 4.434 7.124 6.805 -0.7814 -0.1392 -0.3347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22738 7055SOL OW22736 4.385 0.966 5.984 0.2221 0.0307 0.2148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22739 7055SOL HW122737 4.302 0.949 6.038 0.0618 -1.7733 -0.5318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22740 7055SOL HW222738 4.448 0.889 5.994 0.4683 -0.0606 -1.6260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22741 7056SOL OW22739 4.086 0.762 6.719 -0.4815 0.3204 -0.2237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22742 7056SOL HW122740 4.114 0.835 6.781 1.5174 0.1749 -0.8836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22743 7056SOL HW222741 4.045 0.687 6.772 -1.8872 1.5698 0.5251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22744 7057SOL OW22742 4.900 0.556 6.760 0.1117 -0.0873 -0.5883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22745 7057SOL HW122743 4.952 0.577 6.843 -0.9395 -1.3865 0.4250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22746 7057SOL HW222744 4.829 0.626 6.746 0.7174 0.5031 -0.7947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22747 7058SOL OW22745 3.640 1.713 6.952 -0.6870 -0.0769 -0.2611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22748 7058SOL HW122746 3.703 1.757 7.015 -1.5404 -0.0727 0.6192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22749 7058SOL HW222747 3.691 1.659 6.886 0.2099 -0.7445 0.9415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22750 7059SOL OW22748 3.742 1.045 5.866 -0.6077 0.0977 -0.1713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22751 7059SOL HW122749 3.756 1.082 5.774 -1.2255 0.1326 -0.2584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22752 7059SOL HW222750 3.819 0.987 5.891 -0.2769 0.3524 -0.5794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22753 7060SOL OW22751 4.002 0.448 6.314 -0.5831 0.3148 -0.2900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22754 7060SOL HW122752 3.982 0.455 6.217 0.8792 2.0000 -0.5077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22755 7060SOL HW222753 4.097 0.476 6.332 -0.2195 -1.7466 1.3998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22756 7061SOL OW22754 5.075 1.218 6.071 0.0570 0.1526 -0.1140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22757 7061SOL HW122755 5.036 1.309 6.063 -1.5906 -0.5896 -0.9071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22758 7061SOL HW222756 5.007 1.149 6.045 1.3372 -1.3039 0.2035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22759 7062SOL OW22757 4.962 1.557 6.742 -0.3459 0.4386 0.2112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22760 7062SOL HW122758 5.047 1.537 6.791 -0.2162 -0.0016 -0.1850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22761 7062SOL HW222759 4.909 1.473 6.732 -2.2375 1.1650 3.0003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22762 7063SOL OW22760 5.171 0.304 6.236 -0.2815 0.1619 0.1618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22763 7063SOL HW122761 5.075 0.282 6.251 -0.5460 0.6465 -0.7662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22764 7063SOL HW222762 5.186 0.402 6.248 0.0370 0.1355 0.0125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22765 7064SOL OW22763 4.150 1.578 6.831 0.1763 -0.4013 0.3284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22766 7064SOL HW122764 4.081 1.558 6.761 0.4819 -1.0144 0.1897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22767 7064SOL HW222765 4.226 1.628 6.790 0.1853 -0.4346 0.3045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22768 7065SOL OW22766 4.100 0.768 7.249 0.3154 0.1481 -0.7384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22769 7065SOL HW122767 4.175 0.756 7.184 0.8803 0.3670 -0.1331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22770 7065SOL HW222768 4.130 0.740 7.341 -0.3003 0.3247 -0.4778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22771 7066SOL OW22769 5.371 0.581 7.135 0.4143 -0.2818 -0.2328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22772 7066SOL HW122770 5.326 0.500 7.098 -0.9912 -0.1489 1.0878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22773 7066SOL HW222771 5.455 0.600 7.083 1.0920 -2.9046 -0.2049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22774 7067SOL OW22772 4.254 0.779 6.502 0.0508 -0.2239 -0.1483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22775 7067SOL HW122773 4.313 0.854 6.533 0.0836 0.3639 -1.5328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22776 7067SOL HW222774 4.173 0.774 6.561 0.7215 -0.0199 0.8159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22777 7068SOL OW22775 4.822 0.938 6.584 0.4457 -0.1199 0.4639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22778 7068SOL HW122776 4.737 0.888 6.571 -0.6024 1.3639 1.2490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22779 7068SOL HW222777 4.897 0.888 6.541 -1.1810 -0.2357 -2.5231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22780 7069SOL OW22778 5.113 0.491 5.843 0.1507 -0.1469 0.0266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22781 7069SOL HW122779 5.138 0.395 5.857 -2.4450 -1.0192 -0.7562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22782 7069SOL HW222780 5.025 0.509 5.885 0.5900 1.9581 0.1820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22783 7070SOL OW22781 3.754 0.198 6.643 0.3404 -0.0383 0.3753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22784 7070SOL HW122782 3.816 0.189 6.721 0.0638 -2.8005 0.3598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22785 7070SOL HW222783 3.806 0.227 6.563 1.1142 0.2850 0.9744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22786 7071SOL OW22784 3.689 1.299 6.881 0.1872 0.0277 0.6664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22787 7071SOL HW122785 3.650 1.220 6.928 -0.8455 -1.1962 -2.0580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22788 7071SOL HW222786 3.616 1.354 6.841 0.8535 -2.2096 -4.4189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22789 7072SOL OW22787 4.289 0.494 6.405 -0.2281 -0.3752 0.7235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22790 7072SOL HW122788 4.347 0.477 6.325 2.3617 -1.2816 2.6199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22791 7072SOL HW222789 4.295 0.591 6.431 -2.2342 0.2508 -0.9181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22792 7073SOL OW22790 3.865 0.099 6.270 0.6464 -0.3426 -0.1003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22793 7073SOL HW122791 3.867 0.155 6.187 -1.9488 0.4740 0.3043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22794 7073SOL HW222792 3.901 0.153 6.346 -1.6280 0.8234 0.2412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22795 7074SOL OW22793 5.231 0.251 5.978 -0.3042 -0.3347 -0.0499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22796 7074SOL HW122794 5.329 0.258 5.956 -0.8085 -0.2375 -2.5216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22797 7074SOL HW222795 5.218 0.268 6.076 2.0204 0.8911 0.1216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22798 7075SOL OW22796 4.669 0.763 6.265 0.0018 -0.0273 0.2658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22799 7075SOL HW122797 4.632 0.780 6.356 -0.9673 0.3567 -0.1842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22800 7075SOL HW222798 4.740 0.693 6.270 1.1939 1.2262 1.5690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22801 7076SOL OW22799 5.329 1.421 7.103 -0.5009 -0.0084 0.8150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22802 7076SOL HW122800 5.369 1.503 7.063 0.1416 -0.0419 1.3739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22803 7076SOL HW222801 5.374 1.401 7.190 0.7891 -2.1030 -0.2682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22804 7077SOL OW22802 5.236 0.086 5.694 -0.1235 -0.4952 -0.4034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22805 7077SOL HW122803 5.152 0.034 5.708 0.3521 -0.7581 1.7319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22806 7077SOL HW222804 5.315 0.027 5.712 0.6710 -0.7555 -3.9595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22807 7078SOL OW22805 4.940 0.802 5.571 0.4742 -0.6162 0.3124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22808 7078SOL HW122806 5.031 0.765 5.586 0.7689 0.9015 3.0624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22809 7078SOL HW222807 4.929 0.829 5.475 2.7795 -1.1468 -0.1409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22810 7079SOL OW22808 4.734 1.268 6.465 -0.3669 -0.5027 -0.0325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22811 7079SOL HW122809 4.641 1.247 6.433 -0.7204 1.4155 -0.3666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22812 7079SOL HW222810 4.800 1.249 6.392 -0.6353 -0.6399 -0.2425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22813 7080SOL OW22811 3.719 0.833 6.452 0.2744 -0.7051 0.1461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22814 7080SOL HW122812 3.763 0.747 6.481 -1.8590 -2.1160 -0.5984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22815 7080SOL HW222813 3.654 0.862 6.522 -0.4626 -0.7982 -0.4971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22816 7081SOL OW22814 3.836 0.594 6.504 -0.3470 0.5524 0.3435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22817 7081SOL HW122815 3.749 0.545 6.490 -0.3293 -0.3389 2.7589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22818 7081SOL HW222816 3.903 0.563 6.437 -0.4834 -2.5433 1.4531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22819 7082SOL OW22817 5.058 0.287 6.791 0.1544 -0.3911 -0.3533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22820 7082SOL HW122818 4.987 0.248 6.849 0.5138 0.8875 1.0066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22821 7082SOL HW222819 5.058 0.387 6.800 0.3765 -0.1733 -2.3979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22822 7083SOL OW22820 3.699 1.200 5.580 -0.6600 0.1791 0.1722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22823 7083SOL HW122821 3.616 1.256 5.594 -1.7736 -1.3319 -0.1325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22824 7083SOL HW222822 3.672 1.108 5.552 1.1988 0.1975 -1.8805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22825 7084SOL OW22823 3.626 1.815 6.439 0.3708 0.0537 0.1699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22826 7084SOL HW122824 3.605 1.729 6.486 -0.1867 0.5077 0.7716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22827 7084SOL HW222825 3.721 1.815 6.410 0.2957 -0.8920 -0.1072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22828 7085SOL OW22826 4.174 1.296 6.498 0.3121 -0.0942 0.3788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22829 7085SOL HW122827 4.099 1.253 6.448 1.1586 -1.2404 0.0518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22830 7085SOL HW222828 4.251 1.311 6.437 0.9055 -0.3617 1.0368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22831 7086SOL OW22829 4.598 0.782 6.539 -0.1243 0.6394 -0.3487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22832 7086SOL HW122830 4.504 0.812 6.554 -0.2549 -0.7805 2.2780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22833 7086SOL HW222831 4.623 0.715 6.609 2.7626 0.7578 -1.1461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22834 7087SOL OW22832 3.603 0.574 6.722 0.3454 -0.5189 -0.0204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22835 7087SOL HW122833 3.638 0.562 6.630 2.9547 1.1318 0.6244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22836 7087SOL HW222834 3.667 0.535 6.788 0.1591 1.0975 1.1917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22837 7088SOL OW22835 4.554 0.475 5.756 0.0795 0.1675 0.3565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22838 7088SOL HW122836 4.480 0.542 5.746 -1.2034 -1.3275 -0.6294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22839 7088SOL HW222837 4.640 0.515 5.722 -1.2429 0.3736 -3.1503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22840 7089SOL OW22838 5.525 0.554 6.648 0.1577 -0.2348 0.1709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22841 7089SOL HW122839 5.535 0.490 6.724 0.6770 -0.7219 -0.2984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22842 7089SOL HW222840 5.593 0.532 6.577 0.2582 0.7561 -0.0493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22843 7090SOL OW22841 3.903 1.465 7.207 -0.1927 0.3969 0.3332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22844 7090SOL HW122842 3.806 1.484 7.215 0.1088 1.7583 0.9822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22845 7090SOL HW222843 3.942 1.523 7.135 0.3566 0.7274 0.8919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22846 7091SOL OW22844 4.276 0.353 6.629 0.6863 0.3346 -0.6486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22847 7091SOL HW122845 4.218 0.272 6.631 -0.2078 0.9727 -0.1017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22848 7091SOL HW222846 4.281 0.388 6.535 -1.6311 1.5103 -0.4092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22849 7092SOL OW22847 4.828 1.720 7.040 -0.0882 0.5939 0.5428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22850 7092SOL HW122848 4.784 1.721 6.949 -0.6017 -1.2452 0.7400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22851 7092SOL HW222849 4.926 1.707 7.029 -0.2687 -0.6308 0.2653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22852 7093SOL OW22850 4.044 0.433 5.446 -0.4039 -0.2771 0.2846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22853 7093SOL HW122851 4.143 0.425 5.454 -0.5110 -1.2205 0.7879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22854 7093SOL HW222852 4.019 0.528 5.426 0.4891 0.3076 1.8646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22855 7094SOL OW22853 4.006 1.223 6.913 -0.1861 -0.5401 0.7248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22856 7094SOL HW122854 3.969 1.158 6.847 1.0056 -1.7343 1.1838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22857 7094SOL HW222855 4.032 1.174 6.997 0.9677 0.4876 0.9902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22858 7095SOL OW22856 5.016 1.075 6.720 0.2668 -0.2847 -0.3532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22859 7095SOL HW122857 4.946 1.022 6.673 -1.0750 -0.1946 1.4241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22860 7095SOL HW222858 4.975 1.156 6.761 1.3276 -0.3961 1.0218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22861 7096SOL OW22859 5.037 1.026 5.731 -0.0975 0.1865 0.0848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22862 7096SOL HW122860 4.986 1.105 5.764 -1.3900 -1.5641 2.6704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22863 7096SOL HW222861 4.983 0.978 5.661 -1.3990 -0.7394 1.6368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22864 7097SOL OW22862 5.403 1.649 6.993 0.2815 -0.3096 -0.3246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22865 7097SOL HW122863 5.493 1.692 6.985 -0.6855 1.8022 -0.6628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22866 7097SOL HW222864 5.343 1.682 6.920 -0.1623 -3.4784 -1.5615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22867 7098SOL OW22865 4.922 1.820 6.620 -0.2643 0.2764 0.2359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22868 7098SOL HW122866 4.999 1.875 6.588 -0.9404 1.4897 0.6580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22869 7098SOL HW222867 4.956 1.739 6.668 0.7411 0.9330 0.6492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22870 7099SOL OW22868 3.782 1.313 6.616 -0.1634 -0.2660 -0.0878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22871 7099SOL HW122869 3.773 1.286 6.713 0.1637 1.7605 0.5496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22872 7099SOL HW222870 3.733 1.247 6.559 -1.9414 -0.5314 1.6187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22873 7100SOL OW22871 5.504 0.246 5.947 -0.0563 0.0785 0.0315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22874 7100SOL HW122872 5.560 0.204 5.876 -0.7435 -1.0317 0.1258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22875 7100SOL HW222873 5.539 0.219 6.037 0.2398 0.7228 0.1187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22876 7101SOL OW22874 5.193 1.495 6.067 0.0241 -0.4668 0.0580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22877 7101SOL HW122875 5.190 1.524 5.971 -0.0104 -0.2282 0.1291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22878 7101SOL HW222876 5.107 1.518 6.112 -0.3484 -1.4989 -0.1081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22879 7102SOL OW22877 4.890 0.996 6.048 -0.6005 0.2101 -0.0571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22880 7102SOL HW122878 4.957 0.932 6.086 0.9663 1.9962 0.2832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22881 7102SOL HW222879 4.848 0.955 5.967 0.2846 -1.2786 0.1937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22882 7103SOL OW22880 4.382 1.382 6.950 0.0467 0.0560 0.0546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22883 7103SOL HW122881 4.419 1.475 6.958 1.1690 -0.4938 1.5903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22884 7103SOL HW222882 4.283 1.386 6.964 -0.0916 1.1488 -1.0178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22885 7104SOL OW22883 4.292 1.579 5.734 -0.0831 0.0139 0.1674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22886 7104SOL HW122884 4.265 1.588 5.638 1.3076 -1.1465 -0.3649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22887 7104SOL HW222885 4.254 1.494 5.771 1.1510 -0.6403 -0.0170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22888 7105SOL OW22886 5.234 1.745 6.808 0.9127 -0.0655 -0.1915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22889 7105SOL HW122887 5.278 1.835 6.810 2.3850 -0.7484 -0.5820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22890 7105SOL HW222888 5.242 1.705 6.717 0.5974 -0.7570 0.0727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22891 7106SOL OW22889 5.115 0.211 6.533 -0.1863 -0.2184 -0.3922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22892 7106SOL HW122890 5.208 0.218 6.496 0.5418 -2.4116 0.7907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22893 7106SOL HW222891 5.114 0.245 6.627 -0.2031 -1.3868 0.0604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22894 7107SOL OW22892 3.805 0.246 6.035 0.3072 -0.2780 -0.0193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22895 7107SOL HW122893 3.819 0.220 5.939 1.6479 2.1145 -0.5573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22896 7107SOL HW222894 3.714 0.285 6.046 0.4194 0.1336 -0.5077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22897 7108SOL OW22895 4.921 1.418 5.643 0.0939 -0.1238 -0.2798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22898 7108SOL HW122896 4.898 1.353 5.716 0.9174 0.4025 0.4623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22899 7108SOL HW222897 4.850 1.415 5.573 -0.1810 -1.4112 0.0192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22900 7109SOL OW22898 4.484 0.953 6.851 -0.3575 0.5263 -0.0446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22901 7109SOL HW122899 4.449 0.984 6.762 2.4653 -0.4884 -1.6353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22902 7109SOL HW222900 4.579 0.981 6.861 -0.5459 0.4437 2.6361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22903 7110SOL OW22901 4.561 0.765 6.009 -0.2731 0.7868 -0.5207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22904 7110SOL HW122902 4.632 0.783 5.940 -0.3989 -1.4621 -1.3262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22905 7110SOL HW222903 4.604 0.742 6.096 0.1853 -2.1409 -1.3946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22906 7111SOL OW22904 5.172 1.521 5.769 -0.4799 -0.0730 -0.2403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22907 7111SOL HW122905 5.101 1.472 5.718 -0.1076 -0.4038 -0.4533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22908 7111SOL HW222906 5.261 1.506 5.725 -0.1955 -0.1272 0.3402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22909 7112SOL OW22907 3.867 1.491 6.901 0.1210 -0.5794 -0.3941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22910 7112SOL HW122908 3.790 1.429 6.918 0.6558 -1.3716 -0.8044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22911 7112SOL HW222909 3.947 1.438 6.873 -0.0326 0.4385 -3.0518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22912 7113SOL OW22910 5.397 1.244 6.734 -0.3696 0.5507 -0.1191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22913 7113SOL HW122911 5.315 1.252 6.790 0.7603 0.5500 1.5867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22914 7113SOL HW222912 5.401 1.152 6.694 -1.0804 0.4785 -0.0343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22915 7114SOL OW22913 4.700 1.087 6.210 -0.0625 -0.0739 -0.0156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22916 7114SOL HW122914 4.695 1.012 6.277 -0.4951 -1.8588 -1.9287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22917 7114SOL HW222915 4.763 1.061 6.136 -1.4721 0.7408 -1.5615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22918 7115SOL OW22916 4.541 0.340 6.668 -0.2969 -0.3396 0.2148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22919 7115SOL HW122917 4.445 0.327 6.643 -0.5399 0.6675 0.5910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22920 7115SOL HW222918 4.597 0.271 6.623 -0.9861 0.1161 -1.4032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22921 7116SOL OW22919 4.290 1.307 6.037 0.3739 0.5969 -0.4602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22922 7116SOL HW122920 4.387 1.290 6.015 0.3152 -1.5807 0.6742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22923 7116SOL HW222921 4.239 1.324 5.953 1.7661 2.0782 -1.0563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22924 7117SOL OW22922 5.581 0.337 6.807 0.1019 -0.0390 0.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22925 7117SOL HW122923 5.572 0.245 6.769 0.7746 -0.0273 -0.1132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22926 7117SOL HW222924 5.648 0.336 6.881 -1.8323 -0.2416 1.9114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22927 7118SOL OW22925 3.917 1.265 5.776 0.7417 -0.1089 0.2023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22928 7118SOL HW122926 3.818 1.277 5.770 0.7219 -0.4935 -0.4412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22929 7118SOL HW222927 3.946 1.271 5.871 0.1031 0.0436 0.3920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22930 7119SOL OW22928 4.024 1.014 7.127 0.4143 -0.2963 0.3165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22931 7119SOL HW122929 3.928 1.039 7.116 0.2974 -0.4632 0.8791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22932 7119SOL HW222930 4.031 0.938 7.192 1.0156 0.5155 1.2270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22933 7120SOL OW22931 4.348 0.163 7.024 -0.2263 -0.8102 0.3885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22934 7120SOL HW122932 4.400 0.121 6.949 0.1463 -2.3686 1.4648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22935 7120SOL HW222933 4.404 0.164 7.107 -1.1063 -0.3828 0.9889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22936 7121SOL OW22934 3.575 0.455 5.271 -0.0213 0.2582 0.3638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22937 7121SOL HW122935 3.635 0.449 5.191 -0.0046 0.9331 0.3260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22938 7121SOL HW222936 3.545 0.549 5.284 -1.8072 -0.2021 -0.1386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22939 7122SOL OW22937 5.251 0.975 6.695 -0.0515 -0.7877 -0.8754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22940 7122SOL HW122938 5.156 0.994 6.722 0.0893 -2.8224 1.4252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22941 7122SOL HW222939 5.252 0.906 6.623 -0.3133 1.0124 -2.6802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22942 7123SOL OW22940 3.438 0.287 5.721 0.5086 0.0956 -0.2661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22943 7123SOL HW122941 3.389 0.254 5.640 2.0155 -0.8344 -0.8393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22944 7123SOL HW222942 3.530 0.315 5.694 1.5174 -1.5190 1.3373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22945 7124SOL OW22943 4.841 1.222 5.835 -0.2017 -0.2403 0.5480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22946 7124SOL HW122944 4.746 1.190 5.842 -0.3220 -0.1015 -0.3182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22947 7124SOL HW222945 4.866 1.268 5.920 -1.3527 0.8539 0.3347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22948 7125SOL OW22946 4.176 0.934 6.908 -0.5980 0.8038 -0.0582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22949 7125SOL HW122947 4.131 0.951 6.995 0.7268 0.2439 0.7576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22950 7125SOL HW222948 4.271 0.962 6.913 -0.4470 0.5897 -1.2791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22951 7126SOL OW22949 5.184 1.919 6.505 -0.0124 -0.5659 -0.1220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22952 7126SOL HW122950 5.196 1.988 6.434 0.1689 -0.1870 0.2741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22953 7126SOL HW222951 5.272 1.877 6.527 0.0319 -0.2658 0.2920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22954 7127SOL OW22952 4.238 0.734 0.233 0.4314 -0.1283 0.0373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22955 7127SOL HW122953 4.200 0.793 0.304 -0.8450 -0.9379 0.0475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22956 7127SOL HW222954 4.301 0.787 0.176 1.8416 0.4364 2.0149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22957 7128SOL OW22955 4.082 1.680 7.086 0.1759 0.1840 0.5689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22958 7128SOL HW122956 3.994 1.720 7.061 -0.0327 -0.2037 0.6653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22959 7128SOL HW222957 4.120 1.632 7.007 -0.7644 -1.5493 1.1033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22960 7129SOL OW22958 5.315 0.717 6.561 -0.1609 0.2923 -0.1574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22961 7129SOL HW122959 5.389 0.676 6.615 0.0940 0.4130 -0.4124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22962 7129SOL HW222960 5.345 0.729 6.466 -1.3235 -1.8836 -0.8562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22963 7130SOL OW22961 4.825 0.244 6.023 -0.2143 0.8491 -0.4591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22964 7130SOL HW122962 4.887 0.217 5.949 0.7083 -1.0329 0.9367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22965 7130SOL HW222963 4.874 0.247 6.109 -1.3204 2.8427 0.1841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22966 7131SOL OW22964 4.226 0.731 5.913 0.7060 0.0235 0.4621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22967 7131SOL HW122965 4.203 0.775 6.000 0.7300 -2.6022 1.9020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22968 7131SOL HW222966 4.172 0.647 5.903 1.8563 -0.5627 -1.3199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22969 7132SOL OW22967 5.339 0.851 6.926 0.0581 -0.4271 0.0074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22970 7132SOL HW122968 5.354 0.907 7.007 -1.0030 0.6218 -0.5077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22971 7132SOL HW222969 5.307 0.908 6.850 0.2208 -1.5200 -0.9172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22972 7133SOL OW22970 4.559 1.310 5.756 -0.2444 -0.6098 -0.7800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22973 7133SOL HW122971 4.556 1.256 5.840 0.7721 -1.3052 -1.1763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22974 7133SOL HW222972 4.547 1.406 5.778 2.6537 -0.4588 0.4948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22975 7134SOL OW22973 4.320 1.614 6.461 -0.4923 -0.2942 0.4418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22976 7134SOL HW122974 4.326 1.711 6.436 -0.3404 0.0897 1.8643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22977 7134SOL HW222975 4.304 1.560 6.379 0.7004 0.8054 -0.5808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22978 7135SOL OW22976 4.503 1.166 6.384 0.3380 -0.1967 0.0075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22979 7135SOL HW122977 4.563 1.151 6.305 0.6816 1.9566 -0.1954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22980 7135SOL HW222978 4.408 1.172 6.354 0.3161 -0.7743 -0.0459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22981 7136SOL OW22979 4.779 0.885 5.804 0.6512 0.0513 0.2917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22982 7136SOL HW122980 4.697 0.914 5.754 -1.2388 -1.3262 2.4026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22983 7136SOL HW222981 4.845 0.846 5.739 -0.0128 1.7979 -1.5573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22984 7137SOL OW22982 5.456 1.617 6.408 0.3246 0.0631 0.0758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22985 7137SOL HW122983 5.393 1.606 6.331 -1.9911 0.9224 1.7366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22986 7137SOL HW222984 5.459 1.531 6.460 -0.0421 0.2308 0.3801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22987 7138SOL OW22985 3.668 1.193 6.094 -0.0944 0.2883 0.9564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22988 7138SOL HW122986 3.692 1.142 6.177 1.3205 -0.6369 0.0137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22989 7138SOL HW222987 3.675 1.132 6.015 -0.9261 1.2986 0.0879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22990 7139SOL OW22988 4.329 1.208 7.203 0.0147 -0.4808 -0.4356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22991 7139SOL HW122989 4.246 1.247 7.242 -0.3908 -0.5369 -1.2143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22992 7139SOL HW222990 4.349 1.254 7.116 1.1609 -0.0264 0.0554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22993 7140SOL OW22991 5.099 7.209 6.833 -0.7103 -0.3508 -0.0282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22994 7140SOL HW122992 5.024 7.169 6.779 -0.9835 -2.0085 1.4699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22995 7140SOL HW222993 5.066 7.290 6.881 -0.7567 0.5076 -1.4732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22996 7141SOL OW22994 3.943 0.476 6.061 0.3527 -0.0226 -0.1127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22997 7141SOL HW122995 3.982 0.488 5.970 3.6521 -0.5813 1.0873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22998 7141SOL HW222996 3.895 0.388 6.065 -0.8032 0.5004 -1.5504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
22999 7142SOL OW22997 5.494 1.393 6.542 0.9619 0.1608 -0.3469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23000 7142SOL HW122998 5.568 1.352 6.489 1.5222 0.5007 0.1539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23001 7142SOL HW222999 5.464 1.329 6.613 2.6172 0.9703 1.1813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23002 7143SOL OW23000 3.972 0.527 6.771 -0.0724 -0.0632 0.1034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23003 7143SOL HW123001 4.024 0.445 6.797 -2.5730 -1.8046 -0.0729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23004 7143SOL HW223002 3.980 0.542 6.673 1.0256 0.4349 0.2445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23005 7144SOL OW23003 4.289 1.521 6.201 -0.6151 -0.0576 0.4462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23006 7144SOL HW123004 4.306 1.610 6.158 -0.4120 0.1746 1.0029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23007 7144SOL HW223005 4.295 1.449 6.131 3.2256 -0.0783 0.5895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23008 7145SOL OW23006 4.889 0.139 7.001 -0.3036 0.2552 -0.2592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23009 7145SOL HW123007 4.795 0.128 6.969 -0.1056 -1.8059 -0.2283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23010 7145SOL HW223008 4.892 0.132 7.101 -0.0922 0.2537 -0.2647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23011 7146SOL OW23009 4.535 0.073 6.485 0.0574 0.0677 0.1704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23012 7146SOL HW123010 4.494 0.117 6.405 1.6737 -0.8584 -1.2223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23013 7146SOL HW223011 4.621 0.118 6.509 -1.2736 1.5488 2.6412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23014 7147SOL OW23012 4.547 1.171 5.985 0.0926 -0.3694 -0.3547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23015 7147SOL HW123013 4.487 1.092 5.979 -1.3505 0.7390 -1.3041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23016 7147SOL HW223014 4.603 1.164 6.067 -1.0679 -1.6294 0.3790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23017 7148SOL OW23015 4.386 1.675 6.722 0.0976 -0.6011 0.1245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23018 7148SOL HW123016 4.484 1.655 6.721 0.5913 1.4932 -1.5936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23019 7148SOL HW223017 4.350 1.667 6.629 -0.6423 1.6297 0.1578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23020 7149SOL OW23018 4.939 7.246 5.685 -0.3244 0.9006 -0.0877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23021 7149SOL HW123019 4.990 7.169 5.645 1.7405 1.5639 1.1040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23022 7149SOL HW223020 4.867 7.210 5.745 1.2761 -0.2019 1.2916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23023 7150SOL OW23021 4.903 0.273 6.302 0.3924 0.1055 -0.2499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23024 7150SOL HW123022 4.804 0.259 6.296 0.4964 -0.6181 -0.4472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23025 7150SOL HW223023 4.925 0.330 6.381 -0.1368 -0.3119 0.2042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23026 7151SOL OW23024 5.207 0.477 6.557 -0.4093 -0.3975 -0.1251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23027 7151SOL HW123025 5.252 0.561 6.587 0.0743 -1.0690 1.1124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23028 7151SOL HW223026 5.276 0.406 6.543 -1.0034 -1.2996 1.3035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23029 7152SOL OW23027 3.482 0.859 5.993 -0.1499 0.9396 -0.2445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23030 7152SOL HW123028 3.495 0.920 5.915 -1.7295 -0.0643 -1.3495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23031 7152SOL HW223029 3.517 0.768 5.972 1.0933 1.1138 0.9410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23032 7153SOL OW23030 4.521 1.563 5.910 -0.2129 -0.2227 0.0923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23033 7153SOL HW123031 4.442 1.587 5.853 -0.7151 1.4196 1.3853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23034 7153SOL HW223032 4.525 1.625 5.989 2.1565 -0.5123 0.2778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23035 7154SOL OW23033 3.656 2.381 0.130 0.0103 0.0176 -0.1091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23036 7154SOL HW123034 3.678 2.435 0.211 -0.0718 0.2020 -0.2087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23037 7154SOL HW223035 3.695 2.425 0.049 -1.5055 0.8738 -0.4207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23038 7155SOL OW23036 4.049 2.018 1.047 0.6769 -0.0678 -0.1505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23039 7155SOL HW123037 4.012 1.961 1.120 -1.6500 1.7140 0.1625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23040 7155SOL HW223038 4.071 1.961 0.968 1.5519 -1.7848 1.2565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23041 7156SOL OW23039 3.665 2.184 0.646 0.2320 0.0828 -0.4382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23042 7156SOL HW123040 3.579 2.204 0.692 0.4590 0.5027 -0.1862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23043 7156SOL HW223041 3.666 2.089 0.615 0.5641 -0.5868 1.5022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23044 7157SOL OW23042 4.299 3.078 1.226 0.6978 -0.1304 0.3414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23045 7157SOL HW123043 4.209 3.094 1.186 0.1302 -3.6619 -0.1195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23046 7157SOL HW223044 4.328 3.159 1.277 -2.4539 1.3331 0.0200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23047 7158SOL OW23045 5.382 3.337 0.690 -0.4098 -0.2270 -0.4323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23048 7158SOL HW123046 5.307 3.296 0.740 -0.9887 -0.7654 -1.6918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23049 7158SOL HW223047 5.376 3.311 0.593 1.0200 0.2574 -0.6792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23050 7159SOL OW23048 4.794 2.487 0.666 0.0283 0.0951 -0.0097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23051 7159SOL HW123049 4.857 2.563 0.650 -0.3171 0.3744 -0.0496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23052 7159SOL HW223050 4.757 2.493 0.758 0.3010 -0.2486 0.1232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23053 7160SOL OW23051 5.461 2.575 0.162 -0.1888 0.3881 -0.4137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23054 7160SOL HW123052 5.541 2.541 0.113 0.4283 -2.1507 2.1397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23055 7160SOL HW223053 5.383 2.516 0.143 0.1787 -0.9351 1.8890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23056 7161SOL OW23054 4.452 2.938 1.071 0.3212 -0.7588 0.6311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23057 7161SOL HW123055 4.385 2.989 1.124 -0.6574 -1.2363 -0.1105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23058 7161SOL HW223056 4.509 3.001 1.018 -0.8589 -0.4139 -0.2604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23059 7162SOL OW23057 4.705 2.509 2.048 0.1776 -0.0443 0.1677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23060 7162SOL HW123058 4.728 2.602 2.076 0.4925 -0.1125 0.1362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23061 7162SOL HW223059 4.714 2.501 1.948 -1.9800 0.4997 -0.1339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23062 7163SOL OW23060 4.406 2.728 0.621 0.1139 -0.6249 -0.0368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23063 7163SOL HW123061 4.484 2.743 0.682 1.2838 0.6232 -1.7296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23064 7163SOL HW223062 4.339 2.801 0.635 0.9453 0.3637 -1.0290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23065 7164SOL OW23063 4.363 3.026 1.903 -0.2775 0.1327 0.3859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23066 7164SOL HW123064 4.388 3.095 1.971 -0.7458 1.5067 -0.7814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23067 7164SOL HW223065 4.268 2.999 1.917 -0.1934 -0.0378 0.6398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23068 7165SOL OW23066 4.054 3.133 1.086 -0.2001 -0.7798 -0.0758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23069 7165SOL HW123067 3.978 3.082 1.045 -0.7863 -0.2313 0.3022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23070 7165SOL HW223068 4.125 3.148 1.018 -0.6989 -0.7865 -0.6021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23071 7166SOL OW23069 5.085 3.257 1.309 0.0861 0.2762 -0.7471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23072 7166SOL HW123070 5.163 3.293 1.360 0.0914 1.7179 -1.6993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23073 7166SOL HW223071 5.000 3.283 1.357 -0.1036 4.4310 -2.8452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23074 7167SOL OW23072 4.296 2.344 1.606 -0.0211 0.1720 0.1516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23075 7167SOL HW123073 4.374 2.401 1.584 0.3017 -0.1317 0.4901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23076 7167SOL HW223074 4.328 2.253 1.634 -0.2087 1.0486 3.8047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23077 7168SOL OW23075 5.103 2.162 0.879 0.3968 -0.0040 1.1860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23078 7168SOL HW123076 5.016 2.156 0.831 1.0110 1.6256 -0.2146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23079 7168SOL HW223077 5.125 2.258 0.898 1.1730 -0.4861 2.8852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23080 7169SOL OW23078 3.767 3.539 0.474 0.5134 -0.6094 0.2050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23081 7169SOL HW123079 3.833 3.611 0.496 2.2582 -1.8143 -0.8004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23082 7169SOL HW223080 3.776 3.464 0.539 -0.5485 -0.3924 0.6169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23083 7170SOL OW23081 4.854 2.953 1.607 0.0030 0.2424 0.8439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23084 7170SOL HW123082 4.803 2.882 1.655 -0.0950 0.7963 1.5751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23085 7170SOL HW223083 4.948 2.923 1.593 -0.0239 -0.0131 1.2054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23086 7171SOL OW23084 3.778 3.329 0.644 0.1558 -0.5442 -0.2141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23087 7171SOL HW123085 3.759 3.342 0.741 0.6643 0.2464 -0.2118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23088 7171SOL HW223086 3.780 3.232 0.623 1.2438 -0.7614 0.8128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23089 7172SOL OW23087 3.906 2.782 0.721 0.7798 0.6158 -0.1277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23090 7172SOL HW123088 3.893 2.699 0.666 1.1502 1.4135 -1.4547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23091 7172SOL HW223089 3.873 2.765 0.814 -1.2849 -0.2803 -0.9690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23092 7173SOL OW23090 4.266 3.586 1.406 0.0071 -0.1401 0.0746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23093 7173SOL HW123091 4.224 3.586 1.496 1.5773 -1.0040 0.8593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23094 7173SOL HW223092 4.340 3.654 1.403 0.8052 -0.9909 -0.1053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23095 7174SOL OW23093 4.431 2.831 0.121 0.2215 -0.0842 -0.3241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23096 7174SOL HW123094 4.479 2.756 0.167 -0.9984 -1.2900 -0.9716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23097 7174SOL HW223095 4.481 2.916 0.136 1.2826 -0.9020 0.9798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23098 7175SOL OW23096 5.348 1.839 1.475 -0.0392 0.6629 0.1406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23099 7175SOL HW123097 5.439 1.859 1.438 -0.6733 -1.4623 -2.9700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23100 7175SOL HW223098 5.280 1.894 1.427 -0.5467 1.3237 1.5723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23101 7176SOL OW23099 3.707 2.375 0.441 -0.0195 -0.3208 0.0924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23102 7176SOL HW123100 3.770 2.300 0.424 0.7931 0.3255 0.1979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23103 7176SOL HW223101 3.623 2.339 0.483 1.2098 -0.9328 2.1761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23104 7177SOL OW23102 5.607 3.434 0.253 -0.0999 -0.4498 -0.1954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23105 7177SOL HW123103 5.686 3.445 0.313 -0.3522 -0.2582 0.1010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23106 7177SOL HW223104 5.582 3.522 0.213 -0.2749 -0.4801 -0.1525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23107 7178SOL OW23105 4.029 3.292 0.299 0.5700 -0.3953 -0.0030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23108 7178SOL HW123106 3.960 3.219 0.306 -0.5324 0.7446 3.7427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23109 7178SOL HW223107 4.113 3.255 0.262 -1.3225 -2.3838 -2.6813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23110 7179SOL OW23108 5.475 2.561 0.557 0.0856 0.6488 0.0078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23111 7179SOL HW123109 5.541 2.604 0.619 0.3755 2.3584 -1.3799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23112 7179SOL HW223110 5.408 2.630 0.528 1.4901 0.6733 -3.5741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23113 7180SOL OW23111 5.380 2.815 0.469 -0.1498 0.4612 -0.5470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23114 7180SOL HW123112 5.456 2.829 0.405 0.4671 0.8367 0.2514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23115 7180SOL HW223113 5.389 2.878 0.546 0.1706 -1.2754 0.8780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23116 7181SOL OW23114 3.845 2.604 1.602 -0.2409 -0.5213 0.0382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23117 7181SOL HW123115 3.835 2.624 1.699 0.0197 -0.1231 -0.0183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23118 7181SOL HW223116 3.772 2.649 1.550 -0.2021 -0.4837 0.0160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23119 7182SOL OW23117 4.310 3.073 0.658 0.3112 0.0372 0.2389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23120 7182SOL HW123118 4.232 3.016 0.634 0.3604 0.3565 -0.7209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23121 7182SOL HW223119 4.339 3.126 0.578 1.4029 0.0544 0.6270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23122 7183SOL OW23120 5.090 2.913 1.389 0.2406 0.5396 -0.0108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23123 7183SOL HW123121 5.127 2.827 1.422 0.3807 0.2778 -0.8321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23124 7183SOL HW223122 5.153 2.955 1.324 0.3450 1.4525 0.6498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23125 7184SOL OW23123 4.405 1.825 0.393 -0.6115 -0.3060 -0.1186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23126 7184SOL HW123124 4.486 1.882 0.406 -0.5569 0.0097 -1.6959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23127 7184SOL HW223125 4.326 1.869 0.437 -0.8195 1.6344 -2.2504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23128 7185SOL OW23126 4.108 2.760 1.419 0.5290 0.0825 -0.4684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23129 7185SOL HW123127 4.152 2.682 1.373 -0.6960 -1.3243 0.6685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23130 7185SOL HW223128 4.173 2.801 1.483 1.3692 0.3916 -1.4714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23131 7186SOL OW23129 5.180 2.758 0.309 -0.0011 0.0439 0.5701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23132 7186SOL HW123130 5.135 2.676 0.345 0.1441 -0.3697 -0.1703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23133 7186SOL HW223131 5.271 2.767 0.348 -0.3566 0.3497 1.3375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23134 7187SOL OW23132 4.946 3.584 1.410 -0.2076 0.1567 -0.5001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23135 7187SOL HW123133 4.893 3.641 1.346 -0.4941 0.1740 -0.2521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23136 7187SOL HW223134 4.911 3.491 1.407 -1.2283 0.4783 0.7266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23137 7188SOL OW23135 4.041 1.922 1.984 0.4777 -0.0396 -0.0399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23138 7188SOL HW123136 4.103 1.998 1.964 0.7576 0.1076 1.2708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23139 7188SOL HW223137 3.951 1.941 1.944 0.1843 1.5825 1.2582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23140 7189SOL OW23138 5.189 3.238 0.832 0.7897 0.1389 0.3200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23141 7189SOL HW123139 5.116 3.245 0.900 0.5364 0.7962 -0.0133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23142 7189SOL HW223140 5.175 3.156 0.776 -0.6530 1.1539 -0.8444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23143 7190SOL OW23141 5.528 3.570 0.588 0.8399 0.5129 -0.2220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23144 7190SOL HW123142 5.485 3.485 0.619 -0.0893 0.1883 -2.2862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23145 7190SOL HW223143 5.575 3.613 0.666 -0.3152 -0.8640 1.3133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23146 7191SOL OW23144 3.906 2.504 0.268 0.5594 0.0763 0.0657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23147 7191SOL HW123145 4.002 2.482 0.284 0.1226 -0.5800 2.1351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23148 7191SOL HW223146 3.863 2.532 0.354 -1.1642 0.1478 -0.7665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23149 7192SOL OW23147 4.793 2.167 1.118 -0.1751 0.0784 -0.4005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23150 7192SOL HW123148 4.848 2.084 1.126 -0.9398 -0.3305 0.8965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23151 7192SOL HW223149 4.768 2.200 1.209 -0.9528 1.0060 -0.9275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23152 7193SOL OW23150 5.376 3.374 0.405 0.1155 -0.6950 0.1003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23153 7193SOL HW123151 5.468 3.398 0.377 0.0343 0.9592 1.0845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23154 7193SOL HW223152 5.315 3.373 0.325 0.2166 2.2029 -0.1187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23155 7194SOL OW23153 4.704 2.339 1.495 -0.4077 -0.1819 -0.6086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23156 7194SOL HW123154 4.674 2.249 1.464 0.4490 -0.5746 -0.3192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23157 7194SOL HW223155 4.804 2.345 1.488 -0.4209 0.5876 -0.2095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23158 7195SOL OW23156 5.179 2.235 1.626 -0.2553 -0.1337 -0.2084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23159 7195SOL HW123157 5.214 2.326 1.648 -0.9229 0.2294 -0.6281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23160 7195SOL HW223158 5.208 2.171 1.697 0.7544 0.2716 -0.2400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23161 7196SOL OW23159 4.695 2.734 1.657 -0.1770 -0.5706 -0.0175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23162 7196SOL HW123160 4.705 2.644 1.700 0.2098 -0.3871 0.2788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23163 7196SOL HW223161 4.628 2.728 1.583 -1.2586 -0.7792 0.9544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23164 7197SOL OW23162 4.624 2.102 1.399 -0.0943 0.3582 0.6325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23165 7197SOL HW123163 4.578 2.159 1.332 -0.0468 -0.1268 0.1780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23166 7197SOL HW223164 4.584 2.010 1.398 0.9960 -0.1377 0.0719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23167 7198SOL OW23165 4.587 2.443 0.499 -0.4345 -0.0891 0.5645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23168 7198SOL HW123166 4.660 2.440 0.568 -0.5370 1.1297 0.7416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23169 7198SOL HW223167 4.518 2.374 0.521 0.1161 -0.5068 1.0153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23170 7199SOL OW23168 3.551 2.612 0.838 0.2051 0.1694 -0.1628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23171 7199SOL HW123169 3.632 2.557 0.856 -0.9699 -1.4251 0.4686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23172 7199SOL HW223170 3.553 2.694 0.896 -0.4380 -1.7456 2.7855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23173 7200SOL OW23171 3.675 3.603 1.682 -0.5055 0.6962 0.4038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23174 7200SOL HW123172 3.692 3.639 1.773 2.8193 -1.5143 0.8223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23175 7200SOL HW223173 3.584 3.561 1.679 0.0383 -0.9699 3.3929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23176 7201SOL OW23174 4.633 1.979 0.160 -0.0903 0.1976 0.1649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23177 7201SOL HW123175 4.654 2.070 0.124 -2.0753 0.1208 -1.3633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23178 7201SOL HW223176 4.682 1.910 0.105 -1.1966 0.2087 -0.8760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23179 7202SOL OW23177 5.543 2.563 2.105 -0.2798 0.1403 0.0770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23180 7202SOL HW123178 5.489 2.639 2.070 -0.9628 -0.6816 -0.6888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23181 7202SOL HW223179 5.554 2.494 2.034 0.7671 -0.2628 0.5989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23182 7203SOL OW23180 5.049 2.902 0.495 -0.2794 -0.2712 0.1906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23183 7203SOL HW123181 5.073 2.849 0.414 -1.0188 -0.5012 0.1114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23184 7203SOL HW223182 5.001 2.985 0.468 -1.1474 -0.6879 0.4140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23185 7204SOL OW23183 4.387 1.897 1.042 -0.1811 -0.1094 0.0354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23186 7204SOL HW123184 4.343 1.979 1.078 0.8505 0.2140 0.6153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23187 7204SOL HW223185 4.468 1.923 0.990 -0.4122 -0.7131 -0.6496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23188 7205SOL OW23186 4.661 3.280 0.388 -0.4967 -0.3347 0.0486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23189 7205SOL HW123187 4.637 3.362 0.337 0.3118 -0.1812 -0.0878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23190 7205SOL HW223188 4.602 3.272 0.468 -1.5412 -0.3920 -0.7025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23191 7206SOL OW23189 4.028 3.505 0.830 0.0897 -0.0403 -0.0948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23192 7206SOL HW123190 4.070 3.449 0.758 -0.8450 0.7062 -1.2688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23193 7206SOL HW223191 4.099 3.558 0.876 0.4909 1.6383 -2.4169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23194 7207SOL OW23192 5.475 2.746 1.024 0.2659 -0.1986 0.2668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23195 7207SOL HW123193 5.476 2.660 0.973 0.6434 1.0355 -1.9363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23196 7207SOL HW223194 5.385 2.788 1.017 0.6423 0.5259 -0.3880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23197 7208SOL OW23195 4.827 3.345 1.408 0.6893 -0.0940 -0.4918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23198 7208SOL HW123196 4.824 3.289 1.491 1.3547 1.2029 0.4484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23199 7208SOL HW223197 4.753 3.318 1.347 0.6672 -1.6137 0.1641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23200 7209SOL OW23198 4.179 2.574 0.282 -0.1813 -0.9000 0.2802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23201 7209SOL HW123199 4.273 2.605 0.299 -1.1594 1.4102 2.1709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23202 7209SOL HW223200 4.174 2.530 0.193 2.0330 2.0583 -1.5076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23203 7210SOL OW23201 5.212 2.522 0.683 0.3110 -0.1384 0.3313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23204 7210SOL HW123202 5.200 2.470 0.767 -0.8324 -1.0368 -0.3583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23205 7210SOL HW223203 5.309 2.543 0.670 0.7058 -1.4505 1.0197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23206 7211SOL OW23204 4.166 3.189 1.715 0.4415 0.0881 -0.4140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23207 7211SOL HW123205 4.106 3.182 1.635 0.2753 -0.3071 -0.2551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23208 7211SOL HW223206 4.159 3.106 1.770 -0.8353 1.0721 0.9826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23209 7212SOL OW23207 4.861 3.501 0.251 0.3320 0.0836 -0.2553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23210 7212SOL HW123208 4.763 3.517 0.236 -0.2553 -1.5239 1.4442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23211 7212SOL HW223209 4.888 3.417 0.204 0.3848 -0.5899 0.9610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23212 7213SOL OW23210 3.976 1.999 1.667 -0.1333 0.1121 -0.4925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23213 7213SOL HW123211 3.921 2.053 1.731 -0.5860 0.7983 -1.4298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23214 7213SOL HW223212 3.918 1.930 1.624 0.0769 -0.0924 -0.4494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23215 7214SOL OW23213 5.349 3.153 0.095 0.0955 0.2094 -0.1585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23216 7214SOL HW123214 5.304 3.239 0.117 0.1109 -0.3250 2.2206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23217 7214SOL HW223215 5.280 3.083 0.077 -0.0824 -0.2370 1.9890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23218 7215SOL OW23216 4.112 3.553 0.336 -0.6135 -0.2653 0.1292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23219 7215SOL HW123217 4.127 3.585 0.430 -2.7218 2.1832 -0.2671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23220 7215SOL HW223218 4.062 3.466 0.338 -0.9894 -0.0360 1.2829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23221 7216SOL OW23219 5.116 1.957 0.470 0.4235 0.2394 -0.5895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23222 7216SOL HW123220 5.141 1.900 0.393 1.4735 0.2407 -0.2661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23223 7216SOL HW223221 5.199 1.988 0.517 -0.1978 -0.2041 0.8578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23224 7217SOL OW23222 3.883 3.562 1.309 -0.0608 -0.0586 -0.3247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23225 7217SOL HW123223 3.954 3.492 1.317 -1.2735 -1.2572 0.2578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23226 7217SOL HW223224 3.857 3.572 1.213 0.5948 0.1004 -0.4927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23227 7218SOL OW23225 4.589 3.470 0.997 -0.5249 0.1917 -0.0697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23228 7218SOL HW123226 4.685 3.490 0.975 -0.5912 1.1573 0.4248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23229 7218SOL HW223227 4.578 3.373 1.017 0.6734 0.3099 1.3516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23230 7219SOL OW23228 3.875 2.538 0.604 -0.1622 0.0176 0.0585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23231 7219SOL HW123229 3.901 2.481 0.682 -1.7727 0.5881 1.0565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23232 7219SOL HW223230 3.796 2.496 0.558 0.1280 0.2320 -0.6482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23233 7220SOL OW23231 5.250 2.021 1.770 0.0272 -0.3079 -0.3123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23234 7220SOL HW123232 5.306 1.958 1.823 0.8594 0.7704 0.1477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23235 7220SOL HW223233 5.189 1.970 1.710 0.4014 -1.5334 0.3190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23236 7221SOL OW23234 4.252 1.807 0.003 0.3522 0.5757 0.1873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23237 7221SOL HW123235 4.315 1.754 0.060 1.0867 2.7413 1.4859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23238 7221SOL HW223236 4.199 1.744 -0.055 2.0939 -1.4588 0.6663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23239 7222SOL OW23237 4.466 2.066 1.758 -0.0853 0.3935 -0.2453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23240 7222SOL HW123238 4.519 1.988 1.791 0.5440 1.0101 0.2418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23241 7222SOL HW223239 4.437 2.049 1.664 1.0122 0.0481 -0.5372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23242 7223SOL OW23240 4.660 3.200 1.008 -0.5993 1.0264 -0.3011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23243 7223SOL HW123241 4.597 3.172 0.936 -0.6527 -2.0488 0.8349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23244 7223SOL HW223242 4.739 3.139 1.009 -0.0286 1.7376 1.4849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23245 7224SOL OW23243 4.981 2.305 1.435 0.7235 -0.5059 -0.3658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23246 7224SOL HW123244 5.058 2.296 1.498 0.8198 1.8477 -0.0617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23247 7224SOL HW223245 5.005 2.371 1.363 -0.8922 0.0316 -0.4352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23248 7225SOL OW23246 4.518 3.080 0.818 -1.1277 -0.2604 -0.1506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23249 7225SOL HW123247 4.590 3.113 0.758 -1.1079 1.5968 0.8216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23250 7225SOL HW223248 4.434 3.067 0.766 -0.4594 -1.2224 -1.0415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23251 7226SOL OW23249 4.631 2.247 0.901 -0.1345 -0.1535 0.5784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23252 7226SOL HW123250 4.587 2.197 0.827 -2.3522 0.0824 1.6714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23253 7226SOL HW223251 4.667 2.183 0.969 -0.8136 -0.3110 0.7893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23254 7227SOL OW23252 4.157 1.922 0.431 0.1026 -0.6993 -0.4804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23255 7227SOL HW123253 4.154 1.957 0.525 -0.9357 0.7999 -1.0363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23256 7227SOL HW223254 4.136 1.996 0.367 1.7682 -1.4431 -1.9839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23257 7228SOL OW23255 5.189 2.915 0.071 0.0875 0.0389 -0.1498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23258 7228SOL HW123256 5.190 2.871 0.161 1.9263 1.0517 0.3745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23259 7228SOL HW223257 5.097 2.948 0.051 -0.3972 -0.3692 1.2755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23260 7229SOL OW23258 3.951 1.832 0.082 -0.1647 0.0645 -0.6671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23261 7229SOL HW123259 3.981 1.926 0.066 0.7845 -0.1419 -0.2052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23262 7229SOL HW223260 4.027 1.769 0.064 -0.6645 -0.5824 -0.5791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23263 7230SOL OW23261 4.597 2.033 0.432 -0.2670 0.1996 -0.6268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23264 7230SOL HW123262 4.596 2.014 0.334 1.0325 0.2371 -0.6675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23265 7230SOL HW223263 4.692 2.038 0.464 -0.6241 1.8909 0.3016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23266 7231SOL OW23264 4.777 2.487 1.785 0.1305 -0.0594 -0.3531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23267 7231SOL HW123265 4.751 2.421 1.713 0.2063 0.5964 -0.9957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23268 7231SOL HW223266 4.871 2.468 1.815 0.9725 1.0798 -2.1009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23269 7232SOL OW23267 4.915 3.290 0.673 -0.2624 0.2406 0.2491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23270 7232SOL HW123268 4.940 3.346 0.595 0.1383 0.7272 0.7196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23271 7232SOL HW223269 4.926 3.343 0.757 -3.8795 0.9041 0.4799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23272 7233SOL OW23270 4.134 2.879 0.596 -0.0904 0.1699 -0.1999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23273 7233SOL HW123271 4.058 2.850 0.655 -0.6613 -0.1960 -1.0987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23274 7233SOL HW223272 4.111 2.861 0.501 1.0300 0.3003 -0.5075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23275 7234SOL OW23273 5.040 3.679 0.634 -0.2540 0.0512 0.3568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23276 7234SOL HW123274 5.046 3.717 0.541 2.1143 -2.8738 -0.8881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23277 7234SOL HW223275 4.963 3.616 0.639 -1.1547 1.1667 0.8260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23278 7235SOL OW23276 4.678 2.221 0.054 -0.5863 -0.3655 -0.4437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23279 7235SOL HW123277 4.777 2.224 0.069 -0.4305 0.4210 -1.5808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23280 7235SOL HW223278 4.641 2.314 0.050 -1.7803 -0.6085 2.2841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23281 7236SOL OW23279 3.861 2.422 1.420 0.3518 -0.4510 0.3551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23282 7236SOL HW123280 3.951 2.414 1.377 0.3940 -0.8916 0.5154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23283 7236SOL HW223281 3.860 2.501 1.481 0.1363 0.4729 -0.8212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23284 7237SOL OW23282 4.260 2.099 1.208 0.3173 -0.0701 -0.0314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23285 7237SOL HW123283 4.230 2.140 1.293 1.0900 0.3715 0.0371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23286 7237SOL HW223284 4.181 2.075 1.152 -0.1933 -0.3075 0.7765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23287 7238SOL OW23285 4.537 2.119 0.671 0.7750 0.0356 0.1964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23288 7238SOL HW123286 4.485 2.205 0.667 -0.4119 -0.6448 0.4102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23289 7238SOL HW223287 4.570 2.097 0.579 2.5788 1.5644 0.4119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23290 7239SOL OW23288 4.602 1.917 0.861 -0.1895 -0.0395 -0.5939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23291 7239SOL HW123289 4.587 1.993 0.797 -2.8713 -0.3563 -0.4158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23292 7239SOL HW223290 4.610 1.832 0.810 2.3821 0.2162 -0.7589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23293 7240SOL OW23291 5.200 2.974 0.732 0.4364 -0.3644 -0.3655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23294 7240SOL HW123292 5.134 2.956 0.659 -0.2576 1.3395 -0.1996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23295 7240SOL HW223293 5.292 2.961 0.697 0.1128 -3.6942 -0.3632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23296 7241SOL OW23294 5.179 2.421 0.940 0.0900 -0.0256 -0.3874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23297 7241SOL HW123295 5.112 2.477 0.989 -2.7066 -2.2133 -1.4548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23298 7241SOL HW223296 5.251 2.392 1.004 -0.4162 1.6407 1.0318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23299 7242SOL OW23297 5.696 2.484 0.385 -0.3115 0.3463 -0.3064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23300 7242SOL HW123298 5.674 2.413 0.451 -1.7413 1.9223 0.9933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23301 7242SOL HW223299 5.612 2.516 0.342 0.3550 0.9869 -1.1674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23302 7243SOL OW23300 4.272 3.153 0.261 -0.4668 -0.0515 0.3891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23303 7243SOL HW123301 4.274 3.190 0.354 -0.8052 -2.0930 1.2736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23304 7243SOL HW223302 4.228 3.063 0.262 -0.8812 0.0653 -1.8430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23305 7244SOL OW23303 5.465 2.952 0.692 0.4849 -0.0282 -0.0501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23306 7244SOL HW123304 5.501 2.959 0.785 -0.8455 -0.3387 0.5080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23307 7244SOL HW223305 5.530 2.994 0.628 0.9666 1.0895 1.1265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23308 7245SOL OW23306 4.972 2.271 0.160 0.6394 0.4750 0.4851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23309 7245SOL HW123307 4.912 2.275 0.240 -1.3023 0.5367 -0.8982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23310 7245SOL HW223308 5.004 2.177 0.148 0.6588 0.3959 1.1426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23311 7246SOL OW23309 4.103 2.203 0.368 -0.0765 0.1900 -0.4644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23312 7246SOL HW123310 4.151 2.289 0.353 -1.4957 1.0776 -0.0785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23313 7246SOL HW223311 4.032 2.191 0.299 -0.4170 -0.2931 -0.0378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23314 7247SOL OW23312 5.437 3.045 1.469 -0.4116 0.3134 -0.6133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23315 7247SOL HW123313 5.516 2.985 1.453 0.0270 0.4725 0.7679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23316 7247SOL HW223314 5.470 3.139 1.484 -0.8351 0.3450 0.1736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23317 7248SOL OW23315 4.815 2.927 1.320 -0.5836 -0.5761 0.0419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23318 7248SOL HW123316 4.772 2.941 1.409 0.3005 1.1048 0.2416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23319 7248SOL HW223317 4.911 2.903 1.333 0.0262 1.4176 -0.4267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23320 7249SOL OW23318 5.279 3.354 1.461 0.5101 0.2623 -0.1923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23321 7249SOL HW123319 5.257 3.450 1.447 1.1713 0.5046 0.4096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23322 7249SOL HW223320 5.373 3.345 1.492 0.1141 -0.5024 0.8500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23323 7250SOL OW23321 4.824 3.004 1.048 -0.0497 0.2677 -0.4703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23324 7250SOL HW123322 4.812 2.979 1.144 -3.1758 0.3131 -0.7534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23325 7250SOL HW223323 4.854 2.924 0.996 0.1344 -0.1686 0.2907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23326 7251SOL OW23324 5.237 2.853 0.984 0.3817 -0.1297 -0.0314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23327 7251SOL HW123325 5.252 2.927 1.049 -1.9347 0.9253 -0.5981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23328 7251SOL HW223326 5.210 2.890 0.895 0.0033 -1.6193 -0.5847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23329 7252SOL OW23327 4.867 1.655 1.410 0.2849 0.0413 -0.8703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23330 7252SOL HW123328 4.827 1.648 1.318 0.1131 0.5683 -0.8360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23331 7252SOL HW223329 4.964 1.677 1.402 0.5603 -1.1235 -0.9511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23332 7253SOL OW23330 4.608 2.903 1.883 0.3835 -0.3379 -0.2406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23333 7253SOL HW123331 4.515 2.940 1.881 1.1933 1.8288 -0.7522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23334 7253SOL HW223332 4.620 2.837 1.809 -1.0316 -1.5187 0.5285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23335 7254SOL OW23333 4.778 2.861 0.375 -0.0467 0.3139 -0.6539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23336 7254SOL HW123334 4.783 2.781 0.435 2.0189 1.6396 1.0779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23337 7254SOL HW223335 4.828 2.844 0.291 2.0094 0.3317 0.4930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23338 7255SOL OW23336 4.244 2.573 1.327 -0.0486 -0.2791 -0.5416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23339 7255SOL HW123337 4.310 2.534 1.391 0.3730 0.9508 -0.2087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23340 7255SOL HW223338 4.195 2.498 1.281 0.9637 -1.2081 -0.1769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23341 7256SOL OW23339 4.899 2.045 1.469 0.0489 -0.5081 0.3374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23342 7256SOL HW123340 4.929 2.140 1.472 -0.1726 -0.4349 0.2528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23343 7256SOL HW223341 4.799 2.041 1.460 0.0089 -0.7520 0.8811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23344 7257SOL OW23342 3.680 3.436 1.453 -0.1974 0.4085 -0.0308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23345 7257SOL HW123343 3.664 3.490 1.535 -2.0450 0.4148 -0.3426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23346 7257SOL HW223344 3.751 3.479 1.398 -0.1298 1.3294 0.7559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23347 7258SOL OW23345 4.066 2.817 0.335 -0.4790 -0.8966 0.0664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23348 7258SOL HW123346 4.080 2.718 0.334 3.2988 -0.5097 0.2772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23349 7258SOL HW223347 4.108 2.858 0.253 0.0867 0.7018 1.1007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23350 7259SOL OW23348 4.126 2.405 0.883 -0.0258 0.1212 -0.4929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23351 7259SOL HW123349 4.127 2.453 0.795 1.4244 0.3044 -0.4027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23352 7259SOL HW223350 4.219 2.398 0.918 -0.4323 -1.0833 0.4267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23353 7260SOL OW23351 4.917 3.136 0.402 -0.1288 -0.1926 -0.9347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23354 7260SOL HW123352 4.973 3.213 0.431 -0.9682 0.1059 -0.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23355 7260SOL HW223353 4.821 3.162 0.406 -0.3357 -0.3066 -3.5299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23356 7261SOL OW23354 5.014 3.237 1.037 -0.3385 -0.0883 -0.3888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23357 7261SOL HW123355 5.030 3.276 1.128 -1.3957 0.9929 -0.6347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23358 7261SOL HW223356 4.958 3.156 1.044 -0.7466 0.2184 -0.1000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23359 7262SOL OW23357 5.160 2.344 0.475 -0.1544 -0.0057 -0.4287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23360 7262SOL HW123358 5.174 2.413 0.546 3.8379 0.3046 -1.2854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23361 7262SOL HW223359 5.091 2.376 0.410 -0.6030 1.7287 0.8344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23362 7263SOL OW23360 4.085 3.350 1.277 0.2913 -0.3539 -0.4239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23363 7263SOL HW123361 4.072 3.290 1.199 2.0556 -1.2127 -0.1070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23364 7263SOL HW223362 4.180 3.379 1.281 -0.0580 0.7091 0.6855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23365 7264SOL OW23363 4.057 2.426 1.713 -0.0599 -0.1058 -0.2831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23366 7264SOL HW123364 4.031 2.511 1.668 -0.8753 1.1311 2.3349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23367 7264SOL HW223365 4.153 2.406 1.693 0.2256 1.5869 -0.7562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23368 7265SOL OW23366 5.395 2.820 1.958 -0.1677 0.3771 0.2293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23369 7265SOL HW123367 5.311 2.839 2.008 -0.3758 -0.1215 0.0752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23370 7265SOL HW223368 5.383 2.842 1.861 -0.5605 -0.9227 -0.0361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23371 7266SOL OW23369 4.624 1.857 1.797 0.4882 -0.2126 -0.2647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23372 7266SOL HW123370 4.698 1.915 1.832 1.1136 -1.3427 0.3680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23373 7266SOL HW223371 4.639 1.763 1.829 0.3501 -1.0396 -2.4907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23374 7267SOL OW23372 4.176 1.717 1.800 -0.2776 0.2513 0.1589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23375 7267SOL HW123373 4.176 1.767 1.714 -1.0858 -0.8873 -0.5376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23376 7267SOL HW223374 4.108 1.756 1.861 -0.4148 0.4334 -0.1082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23377 7268SOL OW23375 4.429 2.672 1.121 -0.2742 -0.5711 -0.2182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23378 7268SOL HW123376 4.435 2.771 1.110 -0.0797 -0.6458 -0.8118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23379 7268SOL HW223377 4.370 2.651 1.199 -0.3952 0.0061 -0.1473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23380 7269SOL OW23378 5.028 2.678 1.047 0.3997 0.6954 0.2924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23381 7269SOL HW123379 4.936 2.704 1.020 0.4935 1.7912 0.9710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23382 7269SOL HW223380 5.093 2.747 1.016 1.2621 -0.8975 -1.7091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23383 7270SOL OW23381 4.788 2.286 0.351 0.3473 0.4305 0.8244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23384 7270SOL HW123382 4.752 2.278 0.444 0.3244 2.2586 1.0046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23385 7270SOL HW223383 4.720 2.329 0.292 0.2754 -0.9148 -0.1247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23386 7271SOL OW23384 4.060 2.123 1.398 -0.5389 -0.2466 0.2426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23387 7271SOL HW123385 4.000 2.112 1.478 0.8569 -0.8339 1.2360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23388 7271SOL HW223386 4.086 2.033 1.363 0.8150 -0.0462 0.6621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23389 7272SOL OW23387 3.842 2.783 1.267 0.4908 -0.1993 -0.3251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23390 7272SOL HW123388 3.938 2.797 1.291 0.0808 1.9195 0.2796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23391 7272SOL HW223389 3.785 2.792 1.349 -0.3590 0.2372 -0.9410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23392 7273SOL OW23390 4.417 2.443 1.013 0.2976 -0.2562 0.1258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23393 7273SOL HW123391 4.490 2.436 0.945 0.2238 -1.2530 0.1349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23394 7273SOL HW223392 4.405 2.539 1.039 0.0732 0.1921 -1.5367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23395 7274SOL OW23393 5.479 3.122 2.080 -0.3026 0.1001 1.2168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23396 7274SOL HW123394 5.391 3.149 2.119 0.3530 0.5137 2.4447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23397 7274SOL HW223395 5.500 3.028 2.107 -0.0481 0.2398 1.5116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23398 7275SOL OW23396 3.902 1.949 0.661 -0.5478 -0.3729 -0.2583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23399 7275SOL HW123397 3.953 2.035 0.654 1.8532 -1.7664 -0.9817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23400 7275SOL HW223398 3.834 1.945 0.588 0.1402 0.4387 -0.9739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23401 7276SOL OW23399 5.290 2.170 0.282 0.3220 -0.1504 -0.0369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23402 7276SOL HW123400 5.334 2.090 0.323 -1.3573 -2.1517 -1.8829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23403 7276SOL HW223401 5.245 2.224 0.353 1.8011 -0.5958 1.2959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23404 7277SOL OW23402 4.706 2.499 0.951 -0.1363 -0.5529 0.6247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23405 7277SOL HW123403 4.732 2.501 1.048 0.0569 -0.9078 0.5838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23406 7277SOL HW223404 4.680 2.406 0.926 -1.8866 -0.1355 0.7653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23407 7278SOL OW23405 4.664 3.167 1.839 -0.0350 -0.5131 -0.9621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23408 7278SOL HW123406 4.579 3.169 1.787 0.1952 -0.9566 -1.3601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23409 7278SOL HW223407 4.685 3.073 1.865 0.3882 -0.4156 -0.9496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23410 7279SOL OW23408 5.575 3.284 1.514 0.2400 -0.2986 0.1336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23411 7279SOL HW123409 5.568 3.383 1.508 1.6408 -0.1870 0.0383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23412 7279SOL HW223410 5.625 3.259 1.597 -1.6735 -1.0170 1.1219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23413 7280SOL OW23411 3.996 2.445 1.968 -0.1922 -0.1581 1.3267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23414 7280SOL HW123412 4.052 2.374 2.011 1.2003 0.6320 0.8765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23415 7280SOL HW223413 4.014 2.447 1.870 -1.3235 -0.1453 1.1073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23416 7281SOL OW23414 5.106 2.028 0.117 -0.3763 -0.0470 0.1779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23417 7281SOL HW123415 5.080 1.943 0.162 2.8474 -1.0036 0.4943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23418 7281SOL HW223416 5.180 2.072 0.169 -1.0743 2.3230 -0.6804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23419 7282SOL OW23417 4.945 2.505 0.068 -0.1212 0.2562 -0.2536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23420 7282SOL HW123418 4.949 2.411 0.102 0.9499 0.2452 -0.3697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23421 7282SOL HW223419 5.003 2.514 -0.013 0.9185 1.3225 0.5771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23422 7283SOL OW23420 4.704 3.067 0.632 -0.3629 -0.4038 0.7163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23423 7283SOL HW123421 4.741 2.999 0.570 -0.6975 -1.6295 1.8169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23424 7283SOL HW223422 4.770 3.142 0.644 -0.9025 0.6635 -2.2487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23425 7284SOL OW23423 3.807 2.503 0.894 0.0855 -0.1957 -0.4041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23426 7284SOL HW123424 3.904 2.484 0.879 0.0374 -0.7273 -0.0444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23427 7284SOL HW223425 3.791 2.522 0.991 -0.7287 -3.6651 0.2612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23428 7285SOL OW23426 3.964 2.264 1.020 0.0607 -0.2751 -0.2082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23429 7285SOL HW123427 3.980 2.166 1.008 0.7646 -0.1485 -0.2974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23430 7285SOL HW223428 4.025 2.316 0.961 -1.1232 0.2055 -1.0429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23431 7286SOL OW23429 4.855 2.005 1.918 0.2259 0.5939 -0.3329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23432 7286SOL HW123430 4.828 2.098 1.941 -0.5547 0.4515 -0.6593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23433 7286SOL HW223431 4.898 1.963 1.998 0.0261 1.0244 0.0060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23434 7287SOL OW23432 5.022 1.933 1.688 0.6003 0.2964 0.7706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23435 7287SOL HW123433 4.970 1.943 1.773 0.9320 1.5021 0.8516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23436 7287SOL HW223434 4.971 1.975 1.612 -0.1375 -1.6179 0.1641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23437 7288SOL OW23435 3.872 3.044 0.310 -0.2042 0.0185 -0.7828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23438 7288SOL HW123436 3.780 3.038 0.272 0.2978 -1.3919 -1.8491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23439 7288SOL HW223437 3.918 2.956 0.302 1.3730 0.7809 -0.6315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23440 7289SOL OW23438 3.849 3.525 1.032 -0.2278 -0.3343 0.2983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23441 7289SOL HW123439 3.802 3.438 1.013 0.4994 -1.1327 1.9351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23442 7289SOL HW223440 3.929 3.533 0.973 -1.5382 0.3373 -1.4670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23443 7290SOL OW23441 4.239 3.244 0.901 0.2432 0.3400 -0.3586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23444 7290SOL HW123442 4.267 3.333 0.866 -0.9928 0.7423 -0.3473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23445 7290SOL HW223443 4.275 3.172 0.840 0.6296 0.8725 -0.7698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23446 7291SOL OW23444 4.670 2.507 1.218 0.1283 0.8203 -0.2090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23447 7291SOL HW123445 4.626 2.423 1.251 0.1022 0.2869 -1.5518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23448 7291SOL HW223446 4.600 2.568 1.179 0.2306 1.1964 0.1866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23449 7292SOL OW23447 3.786 2.546 1.157 0.1960 0.0132 0.4696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23450 7292SOL HW123448 3.804 2.641 1.180 -0.6242 0.0646 0.9511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23451 7292SOL HW223449 3.798 2.489 1.238 0.4148 -0.2587 0.2495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23452 7293SOL OW23450 3.826 2.243 1.749 -0.5604 -0.0261 -0.1147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23453 7293SOL HW123451 3.891 2.314 1.725 0.9041 -1.7565 -1.6010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23454 7293SOL HW223452 3.736 2.266 1.712 -0.3297 1.4472 0.2085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23455 7294SOL OW23453 5.106 2.776 1.683 0.0121 0.3773 -0.5773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23456 7294SOL HW123454 5.187 2.834 1.697 -0.8329 1.7089 -0.9976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23457 7294SOL HW223455 5.112 2.731 1.594 0.3226 0.4070 -0.5738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23458 7295SOL OW23456 4.332 2.319 0.581 -0.2129 -0.2833 0.1802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23459 7295SOL HW123457 4.262 2.249 0.569 -0.1697 0.0725 -2.9617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23460 7295SOL HW223458 4.293 2.398 0.628 -1.2788 -0.9399 0.4163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23461 7296SOL OW23459 5.356 2.360 1.131 0.0582 0.3580 -0.0755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23462 7296SOL HW123460 5.371 2.322 1.222 -0.2583 1.7540 0.5973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23463 7296SOL HW223461 5.438 2.349 1.075 0.1008 -0.9134 0.2070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23464 7297SOL OW23462 3.829 3.657 1.960 -0.0797 -0.4427 -0.1970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23465 7297SOL HW123463 3.826 3.745 2.009 2.3526 0.3634 -1.3302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23466 7297SOL HW223464 3.779 3.588 2.012 -0.6424 1.2052 1.5703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23467 7298SOL OW23465 4.487 2.242 1.208 -0.6470 0.4687 -0.5936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23468 7298SOL HW123466 4.409 2.180 1.216 -0.1664 -0.2250 -1.2655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23469 7298SOL HW223467 4.470 2.308 1.134 0.3396 -1.1066 -2.3016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23470 7299SOL OW23468 4.608 3.259 1.286 -0.1503 -0.0807 -0.3364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23471 7299SOL HW123469 4.602 3.231 1.190 -1.6490 2.1493 -0.9706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23472 7299SOL HW223470 4.517 3.286 1.319 0.4055 -0.4026 1.6049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23473 7300SOL OW23471 3.883 2.195 0.176 -0.1182 0.3038 0.5217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23474 7300SOL HW123472 3.855 2.291 0.176 0.9921 0.7024 -2.0777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23475 7300SOL HW223473 3.809 2.138 0.143 0.3602 0.7525 -1.4453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23476 7301SOL OW23474 3.931 2.904 1.587 -0.2732 -0.8962 0.1345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23477 7301SOL HW123475 3.908 2.860 1.674 0.3451 -1.1779 0.1607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23478 7301SOL HW223476 3.973 2.836 1.526 -1.0657 -0.7975 -0.5313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23479 7302SOL OW23477 4.959 2.541 1.263 -0.2830 -0.2499 -0.8824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23480 7302SOL HW123478 4.979 2.585 1.175 -2.4522 1.2805 -0.6823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23481 7302SOL HW223479 4.860 2.536 1.276 -0.0234 -0.0227 1.6790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23482 7303SOL OW23480 4.995 2.534 0.338 -0.7881 0.3785 0.6309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23483 7303SOL HW123481 4.915 2.480 0.365 -0.2922 -0.3534 0.6637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23484 7303SOL HW223482 4.987 2.560 0.242 -0.6804 -0.4192 0.3928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23485 7304SOL OW23483 5.395 3.602 1.164 -0.6815 0.1299 -0.0519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23486 7304SOL HW123484 5.476 3.660 1.153 -0.9643 0.8163 1.2663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23487 7304SOL HW223485 5.412 3.512 1.123 -0.1302 1.0291 -1.8686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23488 7305SOL OW23486 4.862 3.488 0.935 0.2684 0.6639 0.4631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23489 7305SOL HW123487 4.948 3.537 0.920 1.2450 -0.7060 1.3591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23490 7305SOL HW223488 4.880 3.406 0.989 -1.4239 -0.3098 -0.3869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23491 7306SOL OW23489 3.819 2.901 1.012 -0.2639 -0.2423 -0.0914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23492 7306SOL HW123490 3.852 2.856 1.094 -1.2807 0.2929 0.6354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23493 7306SOL HW223491 3.721 2.884 1.001 -0.3136 0.3857 -0.7326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23494 7307SOL OW23492 4.404 3.517 1.665 0.0513 -0.2862 0.0936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23495 7307SOL HW123493 4.335 3.590 1.668 -0.3418 -0.6541 0.1416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23496 7307SOL HW223494 4.477 3.537 1.730 -0.6876 -0.5557 1.0303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23497 7308SOL OW23495 4.767 1.772 0.044 0.4026 -0.2441 -0.0641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23498 7308SOL HW123496 4.781 1.750 -0.053 -0.0422 -1.1631 0.0773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23499 7308SOL HW223497 4.827 1.715 0.100 0.8134 0.4386 0.1941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23500 7309SOL OW23498 5.405 1.964 0.458 -0.1175 0.0383 0.4070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23501 7309SOL HW123499 5.487 1.981 0.404 -0.7966 0.2099 -0.6159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23502 7309SOL HW223500 5.425 1.899 0.531 0.7193 -0.5961 -0.3717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23503 7310SOL OW23501 5.051 3.401 0.460 0.3503 0.0898 -0.2068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23504 7310SOL HW123502 5.151 3.407 0.461 0.3138 0.8407 0.8143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23505 7310SOL HW223503 5.015 3.460 0.387 0.6830 -1.4981 -1.7339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23506 7311SOL OW23504 3.563 3.822 1.855 -0.1889 0.2093 1.1064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23507 7311SOL HW123505 3.463 3.820 1.851 -0.1888 -1.7704 0.8231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23508 7311SOL HW223506 3.593 3.818 1.950 -0.3479 1.8632 1.2504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23509 7312SOL OW23507 4.976 2.688 0.648 0.2788 0.0701 0.3600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23510 7312SOL HW123508 5.066 2.655 0.673 0.7771 1.2774 0.2167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23511 7312SOL HW223509 4.984 2.777 0.603 -1.0249 0.5156 0.9515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23512 7313SOL OW23510 4.419 3.005 1.479 0.0585 -0.0700 -0.2702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23513 7313SOL HW123511 4.428 3.095 1.523 2.2330 0.4959 -1.7112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23514 7313SOL HW223512 4.367 3.014 1.394 1.9993 0.3192 -1.4900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23515 7314SOL OW23513 4.437 3.324 0.140 -0.1270 -0.2426 -0.1819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23516 7314SOL HW123514 4.394 3.358 0.057 -0.0064 0.6597 0.1166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23517 7314SOL HW223515 4.383 3.248 0.177 0.3987 -1.3967 -1.6580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23518 7315SOL OW23516 5.224 3.612 1.423 -0.1284 -0.4905 -0.7623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23519 7315SOL HW123517 5.265 3.647 1.339 -0.8140 1.7885 -0.2164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23520 7315SOL HW223518 5.133 3.651 1.434 0.6980 0.8407 2.0119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23521 7316SOL OW23519 5.436 2.007 1.027 -0.3028 -0.7510 -0.3488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23522 7316SOL HW123520 5.480 1.918 1.024 0.2143 -0.4861 -0.7555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23523 7316SOL HW223521 5.337 1.996 1.033 -0.1645 -1.3681 1.5049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23524 7317SOL OW23522 3.911 2.283 0.756 0.2520 -0.6578 0.1499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23525 7317SOL HW123523 3.819 2.275 0.717 0.5788 -0.5642 -0.6721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23526 7317SOL HW223524 3.913 2.242 0.847 -1.5500 2.6729 1.8723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23527 7318SOL OW23525 4.945 3.309 0.062 0.1343 -0.0862 0.3171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23528 7318SOL HW123526 4.954 3.209 0.061 1.2836 0.0019 -0.7547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23529 7318SOL HW223527 4.927 3.341 -0.031 2.2768 0.8836 0.1911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23530 7319SOL OW23528 4.545 2.768 1.429 0.2436 0.0322 -0.3020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23531 7319SOL HW123529 4.609 2.784 1.354 0.0217 -0.2310 -0.5469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23532 7319SOL HW223530 4.485 2.848 1.439 -0.9622 -0.6723 -1.6213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23533 7320SOL OW23531 4.446 2.617 0.362 0.1926 0.8384 0.5979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23534 7320SOL HW123532 4.501 2.549 0.411 -1.4275 -0.4366 0.7314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23535 7320SOL HW223533 4.408 2.682 0.428 -0.7163 0.0485 0.8743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23536 7321SOL OW23534 5.178 3.347 0.182 -0.2302 -0.2342 -0.2045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23537 7321SOL HW123535 5.087 3.307 0.175 -0.5586 0.4196 0.2475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23538 7321SOL HW223536 5.190 3.417 0.111 0.1258 -0.7066 -0.6165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23539 7322SOL OW23537 4.035 3.180 1.467 -0.4584 -0.3384 -0.0285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23540 7322SOL HW123538 4.060 3.242 1.393 -2.5428 2.3527 1.3586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23541 7322SOL HW223539 3.993 3.098 1.429 3.2700 -1.5983 -1.9634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23542 7323SOL OW23540 5.274 3.056 1.235 -0.3420 -0.3912 0.5773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23543 7323SOL HW123541 5.314 3.054 1.327 -2.6998 -1.3116 1.6596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23544 7323SOL HW223542 5.218 3.138 1.225 1.0974 0.4889 -0.6385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23545 7324SOL OW23543 4.843 2.779 0.873 -0.9298 0.0693 0.5198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23546 7324SOL HW123544 4.745 2.766 0.856 -0.7693 0.0813 -0.4845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23547 7324SOL HW223545 4.894 2.755 0.791 -0.0493 -0.3187 1.1629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23548 7325SOL OW23546 4.683 1.849 1.111 0.9674 -0.1568 0.1495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23549 7325SOL HW123547 4.651 1.876 1.020 0.1494 0.1738 0.5239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23550 7325SOL HW223548 4.680 1.750 1.120 -1.0429 -0.0986 0.5407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23551 7326SOL OW23549 4.285 3.303 0.476 0.2190 -0.7112 -0.0638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23552 7326SOL HW123550 4.309 3.388 0.430 0.2136 0.4759 1.9768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23553 7326SOL HW223551 4.203 3.318 0.532 0.0875 -2.1380 0.1604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23554 7327SOL OW23552 5.396 2.203 1.340 -0.6322 0.5674 0.5768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23555 7327SOL HW123553 5.472 2.183 1.402 0.1521 1.3806 -0.0889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23556 7327SOL HW223554 5.327 2.131 1.347 -1.0486 1.1092 3.1135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23557 7328SOL OW23555 4.038 3.359 0.568 -0.1503 0.5782 0.6053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23558 7328SOL HW123556 4.036 3.345 0.469 0.2966 -0.5189 0.7306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23559 7328SOL HW223557 3.947 3.345 0.606 -0.0414 -0.4840 0.5119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23560 7329SOL OW23558 3.966 2.707 1.869 0.0461 -0.0108 0.4551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23561 7329SOL HW123559 3.867 2.721 1.879 0.1762 0.5214 0.9945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23562 7329SOL HW223560 3.997 2.638 1.934 0.1344 0.2592 0.6988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23563 7330SOL OW23561 4.551 1.832 1.345 0.2046 0.3490 -0.0407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23564 7330SOL HW123562 4.499 1.747 1.355 0.5691 0.3657 2.7994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23565 7330SOL HW223563 4.585 1.840 1.251 0.5122 -2.8232 -0.2871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23566 7331SOL OW23564 3.636 2.119 0.070 -0.2394 0.0811 0.1189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23567 7331SOL HW123565 3.590 2.100 -0.017 0.9696 0.2152 -0.5796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23568 7331SOL HW223566 3.617 2.213 0.098 0.6593 0.5987 -0.8873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23569 7332SOL OW23567 5.166 2.640 1.455 0.0842 -0.5224 0.0482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23570 7332SOL HW123568 5.085 2.608 1.406 1.4338 -2.5558 -0.9758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23571 7332SOL HW223569 5.243 2.646 1.392 1.2848 -0.8092 1.4481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23572 7333SOL OW23570 3.720 1.900 0.211 0.2549 -0.2850 -0.7068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23573 7333SOL HW123571 3.699 1.984 0.161 -0.7162 0.2962 0.6156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23574 7333SOL HW223572 3.810 1.867 0.183 1.5450 2.2516 0.1059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23575 7334SOL OW23573 4.959 3.042 0.145 -0.2291 0.1768 0.0230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23576 7334SOL HW123574 4.909 2.957 0.126 -0.9968 0.7348 -0.5562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23577 7334SOL HW223575 4.947 3.068 0.240 -1.0736 0.3048 -0.1103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23578 7335SOL OW23576 4.489 2.495 1.495 0.2697 -0.3787 0.3047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23579 7335SOL HW123577 4.507 2.593 1.484 0.1982 -0.0870 2.2653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23580 7335SOL HW223578 4.575 2.445 1.497 0.3461 -0.2596 0.0500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23581 7336SOL OW23579 5.121 3.611 0.952 0.8165 0.3321 -0.1939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23582 7336SOL HW123580 5.163 3.627 0.863 0.2167 1.1394 -0.3429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23583 7336SOL HW223581 5.190 3.577 1.016 1.6942 1.5321 -0.4561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23584 7337SOL OW23582 4.567 2.296 1.810 -0.3812 -0.2191 -0.0127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23585 7337SOL HW123583 4.658 2.304 1.852 -0.4480 0.9827 -0.0358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23586 7337SOL HW223584 4.542 2.200 1.802 0.7344 -0.5604 0.3294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23587 7338SOL OW23585 5.297 2.948 1.696 -0.1431 0.0247 -0.3934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23588 7338SOL HW123586 5.249 3.023 1.741 0.5601 0.5498 -0.5046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23589 7338SOL HW223587 5.337 2.981 1.611 -0.6885 -0.7350 -0.9613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23590 7339SOL OW23588 4.008 3.526 1.794 -0.0700 -0.0194 -0.1344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23591 7339SOL HW123589 3.960 3.453 1.745 0.9264 -3.5121 3.5137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23592 7339SOL HW223590 3.944 3.576 1.853 -0.3501 0.3677 -0.7592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23593 7340SOL OW23591 5.367 2.658 1.278 0.3179 0.1218 -0.2901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23594 7340SOL HW123592 5.357 2.573 1.227 0.1732 0.1132 -0.2493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23595 7340SOL HW223593 5.407 2.728 1.220 -1.2848 0.5686 -0.9061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23596 7341SOL OW23594 4.855 2.067 0.527 0.4220 -0.4692 -0.2725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23597 7341SOL HW123595 4.937 2.053 0.472 -0.8300 -0.9643 -2.0957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23598 7341SOL HW223596 4.875 2.133 0.600 2.2138 0.0318 -1.1554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23599 7342SOL OW23597 4.169 2.548 0.650 0.1909 0.7331 0.1877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23600 7342SOL HW123598 4.218 2.633 0.631 0.9886 0.0283 -1.0209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23601 7342SOL HW223599 4.089 2.541 0.590 0.9308 -0.0145 -0.7451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23602 7343SOL OW23600 5.172 2.036 1.423 -0.0809 0.2092 -1.0313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23603 7343SOL HW123601 5.075 2.016 1.412 -0.4447 1.8846 -1.1602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23604 7343SOL HW223602 5.185 2.103 1.496 1.1724 -1.3242 0.2209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23605 7344SOL OW23603 5.285 2.494 1.684 0.1269 0.2242 0.1593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23606 7344SOL HW123604 5.256 2.573 1.631 1.4764 0.6705 0.0458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23607 7344SOL HW223605 5.385 2.487 1.683 0.0666 -1.1588 0.6372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23608 7345SOL OW23606 4.642 3.059 7.204 0.4529 -0.2191 0.5313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23609 7345SOL HW123607 4.657 3.061 7.303 1.6553 1.3547 0.3406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23610 7345SOL HW223608 4.627 3.151 7.170 -0.3500 -0.7811 -0.7198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23611 7346SOL OW23609 4.365 3.501 0.849 0.3447 0.0924 -0.1663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23612 7346SOL HW123610 4.320 3.590 0.866 -0.5855 -0.4108 0.0962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23613 7346SOL HW223611 4.443 3.492 0.910 0.3963 0.6949 -0.1313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23614 7347SOL OW23612 4.543 2.749 0.865 0.3591 -0.0467 0.4798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23615 7347SOL HW123613 4.562 2.667 0.919 -1.0212 -0.7693 -0.0979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23616 7347SOL HW223614 4.514 2.823 0.925 -2.5847 -1.2645 0.6850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23617 7348SOL OW23615 4.878 2.768 0.133 0.4217 -0.1725 -0.3919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23618 7348SOL HW123616 4.783 2.754 0.106 -0.0512 0.9559 0.5701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23619 7348SOL HW223617 4.932 2.687 0.110 -0.6991 -0.7043 -1.2411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23620 7349SOL OW23618 5.572 3.403 0.883 0.0020 -0.2301 0.1887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23621 7349SOL HW123619 5.504 3.386 0.811 0.0273 -0.2183 0.1622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23622 7349SOL HW223620 5.593 3.317 0.930 0.6324 -0.4000 -0.3896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23623 7350SOL OW23621 4.094 2.961 1.893 -0.3099 -0.2204 0.6291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23624 7350SOL HW123622 4.061 2.867 1.887 -0.9695 0.1038 -2.5912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23625 7350SOL HW223623 4.018 3.022 1.916 -0.6763 -0.1599 -0.6423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23626 7351SOL OW23624 3.843 3.045 0.600 0.1387 0.2251 -0.2329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23627 7351SOL HW123625 3.864 2.958 0.643 -0.0245 -0.0670 -0.7388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23628 7351SOL HW223626 3.851 3.037 0.501 -2.1778 0.1174 -0.4695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23629 7352SOL OW23627 4.426 3.250 1.639 0.2484 -0.0040 -0.2346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23630 7352SOL HW123628 4.338 3.222 1.676 -0.8324 1.4457 -1.5649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23631 7352SOL HW223629 4.439 3.347 1.655 1.1003 0.0234 -1.0325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23632 7353SOL OW23630 5.542 1.940 1.321 0.1718 0.3077 -0.2635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23633 7353SOL HW123631 5.631 1.906 1.290 -1.1767 -1.5713 -2.4193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23634 7353SOL HW223632 5.503 2.000 1.251 -0.2945 1.1338 0.6724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23635 7354SOL OW23633 4.112 2.157 0.640 -0.0910 0.2489 0.4599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23636 7354SOL HW123634 4.090 2.187 0.547 1.7566 -0.0825 -0.1113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23637 7354SOL HW223635 4.052 2.205 0.705 -0.8979 1.0453 -0.8295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23638 7355SOL OW23636 5.359 3.333 1.075 0.6470 0.3466 -0.1902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23639 7355SOL HW123637 5.270 3.337 1.030 -0.9280 0.4122 2.7191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23640 7355SOL HW223638 5.389 3.238 1.081 0.7105 0.3064 -0.9893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23641 7356SOL OW23639 4.080 2.357 1.254 0.2047 0.5276 -0.5863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23642 7356SOL HW123640 4.073 2.279 1.316 -0.2808 1.2508 0.2896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23643 7356SOL HW223641 4.044 2.331 1.164 0.6220 -0.4336 -0.4836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23644 7357SOL OW23642 4.523 3.466 0.618 -0.0961 -0.1286 0.4001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23645 7357SOL HW123643 4.503 3.548 0.564 2.2382 -0.0700 -0.5053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23646 7357SOL HW223644 4.457 3.458 0.692 -0.4733 2.5037 0.4414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23647 7358SOL OW23645 4.926 1.919 1.181 0.0634 0.0412 -0.4182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23648 7358SOL HW123646 4.843 1.876 1.146 0.1181 0.2115 -0.7617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23649 7358SOL HW223647 4.909 1.955 1.273 -0.2236 0.0263 -0.4663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23650 7359SOL OW23648 4.754 1.583 1.145 -0.4303 0.1277 -0.0535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23651 7359SOL HW123649 4.694 1.505 1.160 -0.1883 0.1390 1.1178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23652 7359SOL HW223650 4.829 1.557 1.084 -0.3466 -0.5650 0.3356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23653 7360SOL OW23651 4.626 3.065 0.224 -0.3409 -0.0833 0.0510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23654 7360SOL HW123652 4.633 2.982 0.281 -0.0594 0.6364 1.0958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23655 7360SOL HW223653 4.652 3.144 0.278 0.5720 0.5632 -1.2882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23656 7361SOL OW23654 4.375 3.320 1.379 1.3696 -0.2520 0.3958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23657 7361SOL HW123655 4.329 3.409 1.389 -1.0156 -1.0544 -2.1215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23658 7361SOL HW223656 4.390 3.280 1.469 0.7483 1.8507 1.5041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23659 7362SOL OW23657 5.117 1.781 0.235 -0.6260 0.4062 -0.4779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23660 7362SOL HW123658 5.190 1.717 0.213 0.3778 1.2895 0.1880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23661 7362SOL HW223659 5.030 1.732 0.240 -0.0468 -0.7118 -0.9972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23662 7363SOL OW23660 4.867 2.215 0.733 -0.1139 -0.1583 -0.8343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23663 7363SOL HW123661 4.868 2.312 0.709 1.3045 0.7737 2.4876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23664 7363SOL HW223662 4.800 2.199 0.806 -0.7262 -1.8306 -1.7060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23665 7364SOL OW23663 5.173 1.957 1.051 -0.4842 0.0820 0.2961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23666 7364SOL HW123664 5.101 1.949 1.120 -1.0205 -0.9491 -0.3579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23667 7364SOL HW223665 5.143 2.021 0.980 -0.9199 -0.5977 -0.1478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23668 7365SOL OW23666 3.851 2.786 0.153 -0.1259 0.1582 -0.6139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23669 7365SOL HW123667 3.945 2.763 0.177 -0.4075 0.5734 0.9914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23670 7365SOL HW223668 3.789 2.747 0.221 -1.2684 -1.3201 -2.3937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23671 7366SOL OW23669 4.574 3.528 0.226 -0.4414 0.9683 0.1231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23672 7366SOL HW123670 4.511 3.458 0.189 0.8237 -0.6755 0.9349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23673 7366SOL HW223671 4.536 3.564 0.311 -0.1692 -0.2552 0.7840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23674 7367SOL OW23672 3.955 2.172 2.124 0.3693 0.5302 0.3779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23675 7367SOL HW123673 3.868 2.220 2.111 -1.0202 -2.0557 -0.5088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23676 7367SOL HW223674 3.990 2.143 2.034 2.0534 1.3189 0.7464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23677 7368SOL OW23675 3.967 2.041 2.743 -0.1673 0.1464 -0.1869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23678 7368SOL HW123676 3.944 2.106 2.670 0.3791 -0.3105 -0.7805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23679 7368SOL HW223677 3.897 1.970 2.747 -0.3887 0.3724 -0.0213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23680 7369SOL OW23678 3.568 2.202 2.595 0.1139 0.2930 0.1462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23681 7369SOL HW123679 3.486 2.217 2.650 -1.0263 -0.2257 -1.3311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23682 7369SOL HW223680 3.544 2.152 2.511 1.7506 1.0661 -0.8520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23683 7370SOL OW23681 5.390 3.350 2.328 0.0170 0.0167 0.2755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23684 7370SOL HW123682 5.343 3.426 2.374 0.7519 1.4114 -1.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23685 7370SOL HW223683 5.482 3.340 2.367 0.1030 0.2185 0.1276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23686 7371SOL OW23684 4.464 2.526 2.637 -0.1573 0.4655 -0.3999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23687 7371SOL HW123685 4.413 2.610 2.659 -0.5578 -0.2460 1.5308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23688 7371SOL HW223686 4.401 2.448 2.637 0.1105 0.1751 -2.7151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23689 7372SOL OW23687 5.451 2.444 2.321 -0.1142 0.4389 0.3913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23690 7372SOL HW123688 5.481 2.504 2.247 1.5077 0.4029 0.9751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23691 7372SOL HW223689 5.411 2.361 2.283 1.7451 -0.0949 -0.5033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23692 7373SOL OW23690 5.042 3.372 3.241 1.0888 -0.2807 -0.0319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23693 7373SOL HW123691 4.976 3.427 3.291 -1.5810 -1.8021 -1.6382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23694 7373SOL HW223692 5.131 3.418 3.240 -0.0938 2.2285 1.5689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23695 7374SOL OW23693 5.046 2.520 2.537 0.2208 0.3166 0.5599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23696 7374SOL HW123694 4.977 2.559 2.477 -0.0457 -1.4853 -0.3612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23697 7374SOL HW223695 5.008 2.441 2.586 2.0644 -1.9642 -1.4228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23698 7375SOL OW23696 4.324 2.359 1.925 0.8914 0.1508 -0.2244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23699 7375SOL HW123697 4.407 2.357 1.869 0.2234 0.0817 -1.2424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23700 7375SOL HW223698 4.333 2.430 1.995 1.4530 0.7670 -0.8933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23701 7376SOL OW23699 5.238 1.830 3.403 -0.2273 -0.3357 0.4147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23702 7376SOL HW123700 5.332 1.863 3.410 -0.0674 -0.8798 0.9192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23703 7376SOL HW223701 5.187 1.858 3.484 -0.5524 0.1115 0.0578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23704 7377SOL OW23702 3.944 2.496 2.374 -0.7646 0.3396 -0.0530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23705 7377SOL HW123703 3.896 2.420 2.331 0.7722 -0.3567 -0.6023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23706 7377SOL HW223704 3.895 2.524 2.457 -2.4183 0.0760 -0.9047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23707 7378SOL OW23705 5.649 3.592 2.097 -0.4926 0.4172 -0.1985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23708 7378SOL HW123706 5.744 3.605 2.068 -0.3563 -1.1838 -0.5482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23709 7378SOL HW223707 5.590 3.655 2.046 0.5142 2.6497 1.2264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23710 7379SOL OW23708 3.740 3.448 2.149 -0.4090 -0.2191 0.4382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23711 7379SOL HW123709 3.700 3.359 2.127 -3.0310 0.6199 1.4249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23712 7379SOL HW223710 3.667 3.515 2.162 1.3118 1.3492 2.8481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23713 7380SOL OW23711 5.461 2.754 2.755 0.0127 0.4864 -0.3708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23714 7380SOL HW123712 5.490 2.711 2.670 -0.7645 0.3605 -0.5794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23715 7380SOL HW223713 5.415 2.840 2.735 -1.3354 -0.1637 -0.1871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23716 7381SOL OW23714 5.300 2.784 2.266 -0.3214 -0.9209 0.2721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23717 7381SOL HW123715 5.400 2.779 2.269 -0.2780 -0.7665 -0.5509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23718 7381SOL HW223716 5.265 2.807 2.357 0.3442 -1.6328 0.7253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23719 7382SOL OW23717 4.393 1.686 2.530 -0.4742 0.0048 -0.3972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23720 7382SOL HW123718 4.402 1.786 2.525 0.5685 -0.0221 0.5552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23721 7382SOL HW223719 4.296 1.662 2.530 -0.7418 1.0358 -0.4356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23722 7383SOL OW23720 5.159 2.904 2.064 0.3658 -0.4745 0.5662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23723 7383SOL HW123721 5.098 2.855 2.002 -0.5024 0.4675 0.6453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23724 7383SOL HW223722 5.188 2.843 2.138 -0.3225 -0.9913 0.4207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23725 7384SOL OW23723 5.148 3.105 2.705 0.6277 0.2972 0.2219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23726 7384SOL HW123724 5.129 3.192 2.659 1.0157 -0.6043 -1.7929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23727 7384SOL HW223725 5.110 3.031 2.650 -2.5677 -0.7314 3.4574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23728 7385SOL OW23726 5.620 3.785 2.617 -0.2613 0.3525 -0.3103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23729 7385SOL HW123727 5.661 3.697 2.594 0.6164 1.0319 -1.4670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23730 7385SOL HW223728 5.543 3.771 2.679 0.0255 -1.1931 -0.2652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23731 7386SOL OW23729 4.294 2.545 2.149 -0.4718 -0.4100 -0.5638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23732 7386SOL HW123730 4.363 2.610 2.182 0.3567 -2.1347 1.3549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23733 7386SOL HW223731 4.207 2.592 2.136 0.1668 1.1526 0.4784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23734 7387SOL OW23732 4.725 2.020 2.918 0.1053 0.3897 0.2965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23735 7387SOL HW123733 4.730 1.955 2.842 -0.7558 0.6794 -0.0233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23736 7387SOL HW223734 4.794 1.996 2.987 -1.3935 -2.0377 1.1040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23737 7388SOL OW23735 5.163 3.484 2.166 -0.8383 0.8555 0.1611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23738 7388SOL HW123736 5.238 3.419 2.169 -0.8260 0.8540 -0.1632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23739 7388SOL HW223737 5.159 3.527 2.075 0.2771 2.6252 0.9110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23740 7389SOL OW23738 4.711 2.411 2.985 -0.4376 0.4304 0.3369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23741 7389SOL HW123739 4.698 2.382 2.890 -1.5254 0.3801 0.4897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23742 7389SOL HW223740 4.699 2.510 2.991 0.9886 0.6285 0.2050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23743 7390SOL OW23741 4.534 2.487 2.371 0.5352 0.5898 0.1864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23744 7390SOL HW123742 4.525 2.497 2.470 0.7278 -2.6944 0.6236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23745 7390SOL HW223743 4.470 2.418 2.338 1.3718 0.6942 -1.7895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23746 7391SOL OW23744 4.548 2.120 2.175 -0.6166 -0.0714 0.6914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23747 7391SOL HW123745 4.612 2.152 2.104 -0.7053 -1.4635 -0.0538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23748 7391SOL HW223746 4.469 2.076 2.131 -0.7372 -0.8311 1.6421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23749 7392SOL OW23747 5.487 2.199 3.862 -0.4360 -0.4885 0.2918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23750 7392SOL HW123748 5.504 2.291 3.827 0.6267 -0.7073 0.1947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23751 7392SOL HW223749 5.424 2.151 3.801 2.4284 -1.3639 -2.2774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23752 7393SOL OW23750 4.964 2.889 2.414 -0.3185 -0.5462 0.0891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23753 7393SOL HW123751 4.904 2.826 2.365 -0.7943 -0.8592 1.0515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23754 7393SOL HW223752 4.965 2.978 2.367 -3.0099 0.0753 1.0088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23755 7394SOL OW23753 4.223 1.833 2.735 -0.9569 -0.6327 -0.2426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23756 7394SOL HW123754 4.140 1.860 2.687 -0.1537 0.7392 -0.9194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23757 7394SOL HW223755 4.301 1.884 2.699 -0.1619 -0.2746 1.8430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23758 7395SOL OW23756 4.962 3.398 2.410 0.0018 -0.0363 0.1615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23759 7395SOL HW123757 4.872 3.441 2.411 0.0745 0.1144 0.1874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23760 7395SOL HW223758 5.023 3.448 2.348 0.2375 0.2027 0.5835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23761 7396SOL OW23759 5.394 3.042 2.858 -0.1326 -0.0558 -0.0461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23762 7396SOL HW123760 5.313 3.070 2.806 -2.5568 -2.6295 2.0320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23763 7396SOL HW223761 5.373 3.043 2.956 2.3698 -0.8955 0.5764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23764 7397SOL OW23762 3.754 2.359 2.088 -0.3298 -0.0776 -0.0028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23765 7397SOL HW123763 3.827 2.411 2.043 -0.2864 -0.3178 -0.2096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23766 7397SOL HW223764 3.695 2.318 2.019 -0.6797 0.1344 0.1607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23767 7398SOL OW23765 5.175 2.670 2.705 -0.1295 -0.3217 -0.5568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23768 7398SOL HW123766 5.126 2.606 2.645 -0.3794 -0.9496 0.3025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23769 7398SOL HW223767 5.273 2.650 2.703 -0.2812 -1.2078 0.2518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23770 7399SOL OW23768 4.848 3.365 1.957 -0.2855 0.0438 0.4013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23771 7399SOL HW123769 4.773 3.386 1.894 0.3005 -0.7363 -0.5776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23772 7399SOL HW223770 4.859 3.266 1.964 0.7210 0.1492 0.4390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23773 7400SOL OW23771 5.288 3.368 1.872 -0.2622 -0.0076 -0.1453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23774 7400SOL HW123772 5.222 3.393 1.802 -2.4073 -0.3465 1.6461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23775 7400SOL HW223773 5.286 3.268 1.885 0.3886 0.0123 0.1304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23776 7401SOL OW23774 5.067 2.149 2.484 -0.5840 0.2639 0.5422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23777 7401SOL HW123775 5.159 2.181 2.508 -0.6053 0.4994 0.3066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23778 7401SOL HW223776 5.049 2.167 2.388 -1.6170 1.9948 1.0248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23779 7402SOL OW23777 4.012 2.622 2.140 -0.1541 -0.2852 0.0520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23780 7402SOL HW123778 3.995 2.605 2.237 -2.5522 0.8247 -0.0928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23781 7402SOL HW223779 3.990 2.540 2.087 1.5104 -1.0112 0.4370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23782 7403SOL OW23780 5.143 1.895 3.644 0.1416 0.5698 0.3542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23783 7403SOL HW123781 5.048 1.918 3.627 0.0788 -1.9113 -3.9452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23784 7403SOL HW223782 5.148 1.806 3.690 0.3362 0.1559 -0.4504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23785 7404SOL OW23783 4.378 1.953 2.066 0.0458 0.0258 0.4270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23786 7404SOL HW123784 4.406 1.860 2.087 0.2787 -0.1004 -0.3986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23787 7404SOL HW223785 4.319 1.952 1.984 0.4668 0.6523 0.1107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23788 7405SOL OW23786 5.131 2.486 3.320 -0.1645 0.5273 0.4372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23789 7405SOL HW123787 5.159 2.477 3.416 -0.5343 -0.2402 0.4793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23790 7405SOL HW223788 5.152 2.578 3.288 -2.1634 1.6056 1.9621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23791 7406SOL OW23789 4.544 2.141 2.769 -0.2752 0.5499 0.1502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23792 7406SOL HW123790 4.506 2.066 2.715 -1.4794 1.6123 -0.5238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23793 7406SOL HW223791 4.609 2.104 2.835 -2.5746 -1.3984 1.4903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23794 7407SOL OW23792 4.122 1.791 2.359 0.1426 0.4993 -0.1018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23795 7407SOL HW123793 4.038 1.792 2.413 -0.6968 0.7799 -1.3684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23796 7407SOL HW223794 4.146 1.884 2.332 0.2316 0.3165 -0.6706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23797 7408SOL OW23795 5.178 3.121 1.871 0.1241 -0.0509 -0.0973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23798 7408SOL HW123796 5.167 3.045 1.934 -0.5626 -0.0497 -0.2052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23799 7408SOL HW223797 5.088 3.150 1.837 0.4398 0.2574 -0.7035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23800 7409SOL OW23798 3.890 1.725 2.093 0.2851 -0.1891 -0.1070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23801 7409SOL HW123799 3.956 1.791 2.059 0.7094 -0.5808 -0.0590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23802 7409SOL HW223800 3.939 1.652 2.142 -0.2351 -0.1265 0.5142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23803 7410SOL OW23801 4.634 2.018 2.404 -0.0712 0.4025 -0.2808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23804 7410SOL HW123802 4.604 2.062 2.320 2.7992 0.7885 -1.2051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23805 7410SOL HW223803 4.701 2.076 2.450 2.9798 -2.3697 -0.9280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23806 7411SOL OW23804 5.047 3.362 2.660 0.0489 -0.3437 -0.5983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23807 7411SOL HW123805 5.038 3.365 2.561 -1.8316 -0.8669 -0.4825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23808 7411SOL HW223806 5.078 3.450 2.694 1.2753 -0.3325 -1.6788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23809 7412SOL OW23807 4.916 3.781 2.356 0.2131 -0.0511 -0.3338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23810 7412SOL HW123808 4.909 3.854 2.288 -0.7856 0.1108 -0.0693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23811 7412SOL HW223809 5.008 3.742 2.353 0.8066 1.2869 -0.4018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23812 7413SOL OW23810 4.774 2.244 2.032 -0.2733 -0.5420 0.0426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23813 7413SOL HW123811 4.735 2.336 2.023 2.3567 0.6194 -0.2277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23814 7413SOL HW223812 4.840 2.243 2.107 -1.3109 -2.6528 0.9909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23815 7414SOL OW23813 4.391 1.984 2.569 -0.3720 0.0928 0.4744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23816 7414SOL HW123814 4.323 2.053 2.547 0.2256 0.1808 -1.2544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23817 7414SOL HW223815 4.480 2.012 2.533 0.4513 -0.3620 2.0478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23818 7415SOL OW23816 4.751 1.784 2.415 -0.2507 -0.3595 0.2327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23819 7415SOL HW123817 4.688 1.862 2.409 -0.8605 -0.6063 2.5993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23820 7415SOL HW223818 4.701 1.699 2.395 -0.3872 -0.4284 0.8355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23821 7416SOL OW23819 5.000 2.878 2.680 -0.2031 0.4180 -0.1537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23822 7416SOL HW123820 5.071 2.812 2.705 -0.6965 0.1078 0.4489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23823 7416SOL HW223821 4.965 2.855 2.589 0.6315 0.7214 -0.5666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23824 7417SOL OW23822 5.055 2.345 2.745 -0.1430 -0.4589 -0.5601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23825 7417SOL HW123823 5.138 2.340 2.801 -0.1650 -1.6466 -0.6045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23826 7417SOL HW223824 5.023 2.253 2.725 -1.8775 -0.0220 0.0481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23827 7418SOL OW23825 5.531 2.598 2.516 0.5206 -0.3886 -0.5775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23828 7418SOL HW123826 5.629 2.615 2.521 0.6657 -1.4445 1.0854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23829 7418SOL HW223827 5.511 2.537 2.439 0.8608 1.4948 -2.2216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23830 7419SOL OW23828 4.257 3.402 2.019 -0.4552 -0.1167 0.4114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23831 7419SOL HW123829 4.198 3.350 2.082 -0.9206 1.0688 0.9882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23832 7419SOL HW223830 4.207 3.419 1.934 0.0400 -1.3959 -0.1633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23833 7420SOL OW23831 5.274 3.120 2.372 -0.3312 0.2158 -0.3166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23834 7420SOL HW123832 5.339 3.086 2.439 -0.5896 -0.2142 -0.2769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23835 7420SOL HW223833 5.303 3.210 2.339 -0.0246 0.2770 0.1166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23836 7421SOL OW23834 5.046 2.462 1.864 0.3914 -0.4238 0.0481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23837 7421SOL HW123835 5.063 2.381 1.920 -0.4051 -1.0033 -0.5264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23838 7421SOL HW223836 5.122 2.474 1.799 0.7229 -0.4564 0.4288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23839 7422SOL OW23837 4.197 2.030 2.256 -0.3988 0.1085 -0.0459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23840 7422SOL HW123838 4.271 2.012 2.191 -0.1892 -0.9881 0.4850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23841 7422SOL HW223839 4.115 2.058 2.205 0.1532 0.6093 -0.6848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23842 7423SOL OW23840 5.373 3.199 3.513 -0.1364 -0.3039 -0.3861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23843 7423SOL HW123841 5.386 3.153 3.600 0.3941 -0.2847 -0.4499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23844 7423SOL HW223842 5.426 3.284 3.512 0.9160 -0.9436 -1.2030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23845 7424SOL OW23843 5.203 3.625 3.669 -0.1879 0.8770 -0.0887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23846 7424SOL HW123844 5.208 3.697 3.600 -0.8420 0.1201 -0.9520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23847 7424SOL HW223845 5.293 3.610 3.710 0.3008 1.0205 -1.0997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23848 7425SOL OW23846 5.260 3.044 3.096 -0.5263 0.0371 -0.5165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23849 7425SOL HW123847 5.234 3.038 3.193 -0.6696 -0.1088 -0.5644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23850 7425SOL HW223848 5.225 2.965 3.047 -0.1360 -0.0750 -0.6163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23851 7426SOL OW23849 4.409 2.030 3.310 -0.1799 0.3671 -0.5886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23852 7426SOL HW123850 4.424 2.033 3.409 0.8570 0.6982 -0.7431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23853 7426SOL HW223851 4.464 1.957 3.270 -1.3182 -0.3905 -0.8192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23854 7427SOL OW23852 4.916 2.273 3.131 -0.2547 -0.1220 0.5619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23855 7427SOL HW123853 4.979 2.335 3.177 -2.8976 3.1214 0.1895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23856 7427SOL HW223854 4.857 2.325 3.068 -1.0282 -3.4251 -1.7589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23857 7428SOL OW23855 4.321 2.290 2.722 -0.3070 0.2395 0.3978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23858 7428SOL HW123856 4.272 2.237 2.652 -1.0722 1.1196 0.2423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23859 7428SOL HW223857 4.406 2.243 2.746 -0.4422 -0.5053 -0.5136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23860 7429SOL OW23858 5.017 3.154 2.288 -0.2964 -0.2369 0.4099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23861 7429SOL HW123859 4.983 3.239 2.327 2.1037 0.9303 0.1210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23862 7429SOL HW223860 5.101 3.127 2.335 -1.7140 -3.2917 1.4788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23863 7430SOL OW23861 5.173 2.587 2.133 0.1638 -0.2551 0.7074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23864 7430SOL HW123862 5.080 2.622 2.149 0.6404 1.3329 0.2329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23865 7430SOL HW223863 5.238 2.641 2.186 0.9304 -0.5075 0.0427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23866 7431SOL OW23864 5.446 2.694 3.508 -0.2151 0.2964 -0.4009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23867 7431SOL HW123865 5.365 2.644 3.539 -0.2842 1.8856 2.4089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23868 7431SOL HW223866 5.418 2.775 3.458 -0.5823 1.6354 1.8039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23869 7432SOL OW23867 4.798 1.913 3.546 0.6682 0.0254 -0.4437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23870 7432SOL HW123868 4.814 1.932 3.449 -0.1418 -0.7869 -0.7478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23871 7432SOL HW223869 4.753 1.825 3.557 0.0692 0.4322 0.6219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23872 7433SOL OW23870 5.153 2.819 2.995 0.1181 0.2283 0.5526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23873 7433SOL HW123871 5.054 2.816 3.010 0.1001 -0.3264 0.3527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23874 7433SOL HW223872 5.174 2.774 2.908 0.5814 0.0478 0.7596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23875 7434SOL OW23873 4.848 2.416 2.361 -0.3474 0.6305 0.4048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23876 7434SOL HW123874 4.904 2.345 2.317 0.3612 1.5995 -0.3156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23877 7434SOL HW223875 4.752 2.390 2.359 -0.2975 0.4393 -1.3954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23878 7435SOL OW23876 5.543 2.635 3.801 -0.0957 -0.1701 0.5467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23879 7435SOL HW123877 5.535 2.647 3.703 1.2685 -0.5897 0.3602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23880 7435SOL HW223878 5.462 2.588 3.836 -0.8724 0.5426 -0.2616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23881 7436SOL OW23879 3.875 1.803 2.516 0.2145 0.6063 -0.6344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23882 7436SOL HW123880 3.863 1.893 2.474 1.5001 1.1708 0.1373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23883 7436SOL HW223881 3.825 1.800 2.602 0.5311 0.7486 -0.4435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23884 7437SOL OW23882 5.180 2.320 2.080 -0.3635 -0.3850 0.3078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23885 7437SOL HW123883 5.264 2.275 2.110 -0.1163 -0.7144 -0.8317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23886 7437SOL HW223884 5.188 2.419 2.093 0.5642 -0.3257 -0.6099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23887 7438SOL OW23885 5.460 3.465 3.523 0.4467 -0.3551 0.3932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23888 7438SOL HW123886 5.551 3.464 3.480 0.6666 -0.3720 0.8538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23889 7438SOL HW223887 5.460 3.530 3.599 0.1438 -0.5376 0.5476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23890 7439SOL OW23888 4.985 2.177 2.215 0.0711 -0.1175 -0.6195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23891 7439SOL HW123889 4.973 2.077 2.208 -0.0520 -0.1020 -0.6312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23892 7439SOL HW223890 5.060 2.205 2.155 1.5406 -0.4756 0.9978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23893 7440SOL OW23891 4.983 2.720 1.927 0.2903 -0.2069 -0.2167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23894 7440SOL HW123892 4.993 2.621 1.922 -0.9621 -0.3749 0.1648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23895 7440SOL HW223893 5.024 2.762 1.846 1.1858 -0.9987 -0.1841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23896 7441SOL OW23894 4.805 2.014 3.304 -0.2336 -0.0669 0.5449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23897 7441SOL HW123895 4.763 1.946 3.243 -1.7004 -0.8426 2.3344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23898 7441SOL HW223896 4.806 2.103 3.259 0.1811 -0.9153 -1.2031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23899 7442SOL OW23897 3.898 3.175 1.954 0.4138 0.3252 0.5529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23900 7442SOL HW123898 3.941 3.245 1.897 -0.1146 -0.1361 -0.4427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23901 7442SOL HW223899 3.806 3.204 1.979 0.1009 -0.1091 -0.0688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23902 7443SOL OW23900 3.697 2.225 2.964 0.3053 -0.4692 0.0209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23903 7443SOL HW123901 3.685 2.174 2.878 -0.2416 -2.9042 1.4434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23904 7443SOL HW223902 3.792 2.256 2.971 0.4859 -0.6597 -1.2282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23905 7444SOL OW23903 4.365 2.305 2.293 0.6640 -0.5177 0.6232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23906 7444SOL HW123904 4.409 2.254 2.220 -0.1193 -0.9674 0.4535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23907 7444SOL HW223905 4.316 2.383 2.255 0.1752 -0.8070 0.6492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23908 7445SOL OW23906 5.262 2.168 2.914 -0.5915 -0.1649 0.0589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23909 7445SOL HW123907 5.184 2.147 2.973 -0.3053 1.2593 0.9742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23910 7445SOL HW223908 5.326 2.228 2.962 0.6784 -0.6387 -0.9727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23911 7446SOL OW23909 4.199 3.400 3.591 -0.1422 0.6841 0.2360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23912 7446SOL HW123910 4.285 3.450 3.598 -0.4762 1.3391 -0.2012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23913 7446SOL HW223911 4.198 3.345 3.508 0.4212 -0.4645 0.9569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23914 7447SOL OW23912 4.148 2.155 1.888 0.1360 -0.5924 -0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23915 7447SOL HW123913 4.200 2.240 1.893 -0.4558 -0.2212 -0.1650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23916 7447SOL HW223914 4.107 2.146 1.797 -0.1182 -0.7921 0.0625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23917 7448SOL OW23915 4.936 2.654 2.245 0.4105 -0.1061 -0.2221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23918 7448SOL HW123916 4.898 2.573 2.290 1.8334 -0.7758 -0.2013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23919 7448SOL HW223917 4.862 2.702 2.196 -0.3375 -1.7711 -0.7844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23920 7449SOL OW23918 5.256 3.616 2.950 -0.0911 0.3909 0.0622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23921 7449SOL HW123919 5.305 3.679 3.010 -1.1519 0.7015 0.6270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23922 7449SOL HW223920 5.272 3.522 2.980 -0.8474 0.5538 1.0454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23923 7450SOL OW23921 5.397 2.205 2.211 0.2066 -0.4585 0.4243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23924 7450SOL HW123922 5.483 2.197 2.161 0.1306 -1.4420 0.4458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23925 7450SOL HW223923 5.367 2.115 2.242 -0.7006 -0.0930 0.6475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23926 7451SOL OW23924 5.292 3.535 2.487 0.2156 0.2680 0.6003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23927 7451SOL HW123925 5.250 3.607 2.432 2.3301 0.3015 -1.0896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23928 7451SOL HW223926 5.279 3.556 2.584 -0.4867 2.1659 0.1387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23929 7452SOL OW23927 4.840 2.642 2.763 0.3453 -0.2981 0.0860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23930 7452SOL HW123928 4.785 2.664 2.844 -1.0981 2.5504 -1.5053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23931 7452SOL HW223929 4.913 2.578 2.789 -0.5959 -0.2465 3.3832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23932 7453SOL OW23930 4.434 3.537 2.179 0.1016 0.6290 0.2599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23933 7453SOL HW123931 4.483 3.612 2.134 1.1325 0.5560 1.2022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23934 7453SOL HW223932 4.376 3.490 2.112 1.7638 0.3693 -1.0898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23935 7454SOL OW23933 5.282 3.548 3.323 -0.4610 -0.8014 -0.5532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23936 7454SOL HW123934 5.249 3.640 3.344 0.7414 0.4154 -3.3986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23937 7454SOL HW223935 5.335 3.513 3.400 -2.5611 -0.0048 1.3752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23938 7455SOL OW23936 5.638 2.082 2.656 -0.1543 0.5956 -0.1432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23939 7455SOL HW123937 5.633 2.001 2.715 -0.4341 0.9148 0.2736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23940 7455SOL HW223938 5.545 2.117 2.640 -0.2215 -0.2880 -1.8920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23941 7456SOL OW23939 3.833 2.237 2.617 0.0723 0.1609 -0.1109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23942 7456SOL HW123940 3.734 2.234 2.599 0.0926 -1.5452 -0.0996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23943 7456SOL HW223941 3.857 2.326 2.655 -1.0201 1.5823 -2.5094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23944 7457SOL OW23942 4.869 3.216 1.674 0.3410 0.0775 0.0355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23945 7457SOL HW123943 4.867 3.124 1.636 -0.5096 0.5712 -1.1877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23946 7457SOL HW223944 4.791 3.227 1.737 0.5995 -0.1140 0.3934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23947 7458SOL OW23945 4.515 2.706 2.212 0.4874 -0.0658 -0.2637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23948 7458SOL HW123946 4.583 2.700 2.140 -0.9757 -0.5012 -1.6723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23949 7458SOL HW223947 4.527 2.630 2.276 0.8634 -0.5717 -0.9211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23950 7459SOL OW23948 5.102 3.388 1.674 0.1955 -0.2334 0.4133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23951 7459SOL HW123949 5.020 3.334 1.654 -0.1140 1.0324 -2.1710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23952 7459SOL HW223950 5.171 3.371 1.603 1.3242 0.4051 1.3196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23953 7460SOL OW23951 5.145 3.167 3.380 0.2090 0.4379 -0.1308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23954 7460SOL HW123952 5.228 3.193 3.429 0.0328 -0.5702 0.7358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23955 7460SOL HW223953 5.108 3.247 3.333 1.7078 0.8803 -0.6105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23956 7461SOL OW23954 4.704 2.771 2.555 -0.2953 -0.0294 -0.3025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23957 7461SOL HW123955 4.619 2.721 2.569 -0.2795 0.1315 0.3959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23958 7461SOL HW223956 4.777 2.729 2.609 -0.0193 0.0715 -0.5900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23959 7462SOL OW23957 4.715 1.853 2.698 -0.4165 0.1364 -0.3164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23960 7462SOL HW123958 4.767 1.859 2.613 -0.8209 -0.0162 -0.5782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23961 7462SOL HW223959 4.706 1.757 2.726 0.5152 0.2503 0.4024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23962 7463SOL OW23960 5.415 2.134 3.417 0.1918 0.2803 -0.4613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23963 7463SOL HW123961 5.367 2.163 3.334 -0.7849 0.4485 0.1492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23964 7463SOL HW223962 5.463 2.047 3.399 0.8702 0.8462 -1.4931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23965 7464SOL OW23963 4.102 3.241 2.174 -0.7225 0.1358 0.5615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23966 7464SOL HW123964 4.094 3.174 2.101 0.1220 1.4756 -0.8276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23967 7464SOL HW223965 4.031 3.225 2.242 -0.0774 -2.5954 0.6960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23968 7465SOL OW23966 4.630 2.276 3.206 -0.5457 0.2657 0.2070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23969 7465SOL HW123967 4.683 2.332 3.142 1.3129 0.2405 1.6347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23970 7465SOL HW223968 4.613 2.186 3.166 1.8158 -0.2550 0.1994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23971 7466SOL OW23969 3.790 2.002 1.904 -0.4597 0.2780 0.3216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23972 7466SOL HW123970 3.758 1.913 1.871 0.3443 0.3475 -0.7156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23973 7466SOL HW223971 3.711 2.059 1.927 -1.0152 -0.3469 0.0063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23974 7467SOL OW23972 5.206 2.754 3.272 -0.0318 -0.1842 0.4498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23975 7467SOL HW123973 5.204 2.756 3.172 0.9922 -1.4328 0.3810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23976 7467SOL HW223974 5.250 2.837 3.306 -2.1180 1.1975 -0.0144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23977 7468SOL OW23975 3.663 1.878 2.210 0.1078 -0.0493 0.0288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23978 7468SOL HW123976 3.599 1.909 2.140 1.6321 3.4503 -0.0228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23979 7468SOL HW223977 3.742 1.835 2.166 -0.6940 -1.5011 -0.0722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23980 7469SOL OW23978 4.902 3.108 2.023 0.0389 0.3448 0.3325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23981 7469SOL HW123979 4.819 3.106 2.079 -0.3682 1.3922 -0.2115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23982 7469SOL HW223980 4.982 3.090 2.080 -0.6771 -2.6861 0.5515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23983 7470SOL OW23981 5.143 3.616 2.709 -0.0213 -0.2691 -0.2931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23984 7470SOL HW123982 5.147 3.712 2.681 0.7534 -0.4959 -1.0009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23985 7470SOL HW223983 5.181 3.607 2.801 0.9970 -0.0655 -0.6898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23986 7471SOL OW23984 5.650 2.929 3.213 0.0770 0.6239 0.1433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23987 7471SOL HW123985 5.641 2.864 3.137 2.8624 0.6201 -0.2575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23988 7471SOL HW223986 5.638 3.022 3.179 0.6605 0.5835 -0.1754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23989 7472SOL OW23987 4.808 2.145 2.551 -1.0077 -0.4216 0.0719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23990 7472SOL HW123988 4.905 2.158 2.530 -0.9850 -1.9650 -0.8955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23991 7472SOL HW223989 4.771 2.231 2.587 0.0371 1.0784 -2.1730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23992 7473SOL OW23990 4.218 2.208 2.495 0.3966 0.0469 -0.7415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23993 7473SOL HW123991 4.267 2.264 2.428 -1.3867 3.2209 0.3639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23994 7473SOL HW223992 4.134 2.173 2.454 1.8636 -2.7019 -1.6668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23995 7474SOL OW23993 5.306 2.112 3.676 0.2969 0.1170 0.2670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23996 7474SOL HW123994 5.360 2.110 3.592 -0.0760 0.5027 0.0106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23997 7474SOL HW223995 5.240 2.037 3.676 1.1406 -0.6549 0.8044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23998 7475SOL OW23996 5.399 2.954 3.335 -0.1250 0.0472 -0.7490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
23999 7475SOL HW123997 5.416 3.033 3.393 -2.7618 -0.1386 0.3893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24000 7475SOL HW223998 5.486 2.916 3.304 1.2264 2.7744 -0.5357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24001 7476SOL OW23999 4.473 3.244 2.060 -0.0183 0.4617 0.4392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24002 7476SOL HW124000 4.401 3.310 2.036 1.0374 0.8800 -1.8596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24003 7476SOL HW224001 4.552 3.258 2.001 0.0431 -3.2515 -0.6455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24004 7477SOL OW24002 4.773 2.769 2.077 0.2804 0.1615 -0.4917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24005 7477SOL HW124003 4.726 2.850 2.041 0.5355 0.2083 -0.7180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24006 7477SOL HW224004 4.851 2.747 2.018 0.9519 0.4857 0.2634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24007 7478SOL OW24005 5.779 3.057 2.848 0.5323 0.0597 0.3142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24008 7478SOL HW124006 5.720 3.136 2.836 0.0037 -0.3458 0.2242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24009 7478SOL HW224007 5.727 2.982 2.888 1.3311 0.1394 1.5677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24010 7479SOL OW24008 5.510 1.881 3.369 -0.0704 0.0629 0.4334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24011 7479SOL HW124009 5.550 1.830 3.445 1.4008 0.5246 -0.0029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24012 7479SOL HW224010 5.542 1.843 3.283 0.2671 1.0749 0.0925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24013 7480SOL OW24011 3.881 2.052 2.393 0.2469 0.2973 0.3371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24014 7480SOL HW124012 3.902 2.086 2.301 -0.8395 -0.0417 -0.0503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24015 7480SOL HW224013 3.833 2.123 2.445 -1.0068 -0.2141 -0.0857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24016 7481SOL OW24014 5.227 3.348 2.913 0.0926 -0.1591 -0.1994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24017 7481SOL HW124015 5.133 3.344 2.947 0.3417 -0.6215 0.4571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24018 7481SOL HW224016 5.227 3.333 2.814 -0.3681 -2.1280 0.0572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24019 7482SOL OW24017 5.027 2.035 3.057 0.8214 -0.9193 0.0611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24020 7482SOL HW124018 5.041 2.003 3.151 2.7304 -2.3403 -0.6401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24021 7482SOL HW224019 4.974 2.119 3.058 -0.8721 -1.9140 2.2777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24022 7483SOL OW24020 4.804 1.831 3.108 -0.1236 0.3474 -0.5176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24023 7483SOL HW124021 4.768 1.759 3.050 0.9185 -0.1579 -0.5532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24024 7483SOL HW224022 4.885 1.798 3.157 0.6578 1.6139 -0.8951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24025 7484SOL OW24023 4.690 3.096 2.175 -0.4901 -0.4889 -0.3417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24026 7484SOL HW124024 4.654 3.020 2.229 -0.3336 0.0088 0.4883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24027 7484SOL HW224025 4.619 3.164 2.161 0.1702 0.7134 1.6974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24028 7485SOL OW24026 5.013 1.928 2.139 0.3994 -0.0437 -0.2684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24029 7485SOL HW124027 5.104 1.900 2.110 1.0099 -1.6428 2.7227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24030 7485SOL HW224028 4.960 1.846 2.165 -0.7610 1.0559 0.9936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24031 7486SOL OW24029 4.667 2.353 2.658 -0.1096 0.0985 0.1078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24032 7486SOL HW124030 4.604 2.430 2.646 0.4348 0.7363 1.1304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24033 7486SOL HW224031 4.618 2.276 2.698 -0.2668 0.5988 0.9148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24034 7487SOL OW24032 5.383 2.149 2.662 0.2147 -0.0157 -0.1567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24035 7487SOL HW124033 5.325 2.126 2.740 0.7774 -1.6822 -0.1805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24036 7487SOL HW224034 5.345 2.228 2.614 0.2992 1.5645 2.2358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24037 7488SOL OW24035 3.726 2.901 2.120 -0.4468 -0.2166 -0.4193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24038 7488SOL HW124036 3.800 2.919 2.054 0.4416 1.8997 1.0345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24039 7488SOL HW224037 3.724 2.804 2.142 1.0138 -0.5349 -1.5180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24040 7489SOL OW24038 4.688 3.391 2.229 -0.2023 0.3374 -0.0079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24041 7489SOL HW124039 4.775 3.370 2.184 -0.0579 -0.4995 0.6336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24042 7489SOL HW224040 4.668 3.489 2.219 1.1422 0.6769 0.3997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24043 7490SOL OW24041 5.794 2.244 3.784 0.2503 0.0032 0.1262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24044 7490SOL HW124042 5.738 2.230 3.866 -1.6565 -0.3368 -1.1747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24045 7490SOL HW224043 5.810 2.341 3.770 -0.5200 0.1404 0.1949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24046 7491SOL OW24044 4.392 2.279 5.692 -0.4122 -0.1410 -0.3953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24047 7491SOL HW124045 4.332 2.358 5.705 0.5061 0.7995 -1.5844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24048 7491SOL HW224046 4.441 2.289 5.605 2.3902 -0.2282 1.0476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24049 7492SOL OW24047 4.175 2.929 5.541 0.5835 -0.8692 0.3374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24050 7492SOL HW124048 4.178 2.968 5.632 0.4808 -1.2538 0.5100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24051 7492SOL HW224049 4.082 2.933 5.505 0.9651 1.0886 -0.5680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24052 7493SOL OW24050 5.185 3.333 5.023 -0.6609 0.4519 -0.0097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24053 7493SOL HW124051 5.158 3.428 5.013 -1.4523 0.2948 0.4854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24054 7493SOL HW224052 5.274 3.328 5.069 -1.3461 0.9352 1.4446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24055 7494SOL OW24053 3.938 2.126 5.250 -0.3554 0.5343 -0.0229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24056 7494SOL HW124054 4.012 2.058 5.255 -1.6966 -1.0322 -0.5712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24057 7494SOL HW224055 3.850 2.079 5.253 -1.3542 2.0991 -2.4596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24058 7495SOL OW24056 4.673 2.839 5.521 -0.3669 -0.6878 -0.2819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24059 7495SOL HW124057 4.649 2.746 5.547 0.0669 -0.4786 0.9241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24060 7495SOL HW224058 4.592 2.885 5.484 -1.2314 -0.7769 1.4031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24061 7496SOL OW24059 4.333 3.511 5.285 -0.2861 -0.4508 0.6928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24062 7496SOL HW124060 4.238 3.530 5.308 -0.7576 -1.4748 -0.3214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24063 7496SOL HW224061 4.363 3.573 5.212 -0.0439 0.1198 1.2659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24064 7497SOL OW24062 5.321 1.811 5.275 -0.2189 0.3115 0.2836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24065 7497SOL HW124063 5.296 1.875 5.202 0.6501 0.6855 0.2966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24066 7497SOL HW224064 5.256 1.819 5.350 -1.5969 -0.6360 -0.7447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24067 7498SOL OW24065 5.478 3.307 4.217 0.5759 0.5810 -0.2014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24068 7498SOL HW124066 5.448 3.213 4.199 0.4890 -0.0624 2.7039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24069 7498SOL HW224067 5.569 3.321 4.180 0.2103 -0.3224 -1.5042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24070 7499SOL OW24068 5.460 2.802 4.314 0.0720 -0.4565 0.2472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24071 7499SOL HW124069 5.417 2.743 4.246 -1.1759 0.1328 0.5074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24072 7499SOL HW224070 5.548 2.762 4.342 0.3015 -1.0257 -1.2248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24073 7500SOL OW24071 4.049 2.509 5.305 0.0293 0.3836 -0.0813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24074 7500SOL HW124072 4.128 2.500 5.366 0.0265 -1.1508 -0.2554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24075 7500SOL HW224073 4.026 2.605 5.294 2.5853 0.9802 -0.9522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24076 7501SOL OW24074 5.093 2.926 4.781 0.7854 0.4145 -0.1537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24077 7501SOL HW124075 5.168 2.982 4.745 0.5909 0.2792 -0.7761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24078 7501SOL HW224076 5.024 2.986 4.821 0.3675 0.6666 -1.2099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24079 7502SOL OW24077 4.835 3.623 5.408 0.0117 -0.2021 -0.1006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24080 7502SOL HW124078 4.862 3.691 5.339 -0.4147 0.9058 0.7891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24081 7502SOL HW224079 4.901 3.623 5.483 -1.4653 1.3606 1.3031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24082 7503SOL OW24080 3.910 2.050 5.677 -0.1706 -0.0243 0.1531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24083 7503SOL HW124081 3.962 2.131 5.706 -1.9775 0.5930 1.9176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24084 7503SOL HW224082 3.847 2.076 5.603 -0.0792 -0.0459 0.0677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24085 7504SOL OW24083 4.941 3.303 4.733 0.5475 0.5260 0.1436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24086 7504SOL HW124084 4.982 3.241 4.800 2.5599 0.8411 -0.7273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24087 7504SOL HW224085 4.860 3.260 4.694 0.8979 -0.8099 0.8097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24088 7505SOL OW24086 4.880 1.989 4.571 0.1988 0.5757 -0.6218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24089 7505SOL HW124087 4.895 2.088 4.579 1.2782 0.2701 1.6295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24090 7505SOL HW224088 4.864 1.949 4.661 2.7081 -1.7386 -1.0704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24091 7506SOL OW24089 4.269 2.169 5.142 0.0894 0.2528 0.1194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24092 7506SOL HW124090 4.339 2.214 5.086 -0.2915 -1.3915 -1.7856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24093 7506SOL HW224091 4.180 2.211 5.124 -0.0367 -0.2905 -0.5607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24094 7507SOL OW24092 4.994 2.329 5.433 0.2808 -0.7172 -0.4793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24095 7507SOL HW124093 4.990 2.365 5.526 -0.0519 0.3914 -0.8976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24096 7507SOL HW224094 5.079 2.278 5.420 1.4440 1.0732 -0.2290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24097 7508SOL OW24095 4.524 2.372 5.476 0.1103 -0.3884 0.2766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24098 7508SOL HW124096 4.526 2.351 5.378 -0.1947 -2.8087 0.7253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24099 7508SOL HW224097 4.586 2.448 5.495 0.5641 -0.2011 -1.7127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24100 7509SOL OW24098 4.909 2.226 4.704 0.5471 0.0550 0.0638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24101 7509SOL HW124099 4.884 2.230 4.800 -0.2192 1.9158 -0.1621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24102 7509SOL HW224100 5.007 2.245 4.694 0.2442 2.0248 0.3856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24103 7510SOL OW24101 5.442 2.279 5.431 -0.1424 0.5288 0.4785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24104 7510SOL HW124102 5.441 2.368 5.385 0.1267 1.2327 1.7729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24105 7510SOL HW224103 5.351 2.239 5.429 -0.6146 1.5200 1.1108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24106 7511SOL OW24104 5.604 2.884 4.602 0.2998 0.1766 0.2340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24107 7511SOL HW124105 5.612 2.944 4.522 -0.6702 2.0269 1.4521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24108 7511SOL HW224106 5.509 2.853 4.611 0.1703 0.8156 1.2098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24109 7512SOL OW24107 4.962 3.166 5.235 0.3500 -0.0801 0.5887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24110 7512SOL HW124108 4.909 3.228 5.293 0.0107 0.1716 0.0173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24111 7512SOL HW224109 4.905 3.135 5.158 0.8503 -0.2524 0.2817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24112 7513SOL OW24110 5.267 2.700 4.502 -0.4224 0.6567 0.2249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24113 7513SOL HW124111 5.212 2.627 4.462 -1.0290 -0.6685 3.1729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24114 7513SOL HW224112 5.319 2.746 4.430 -0.5994 -2.1412 -1.8827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24115 7514SOL OW24113 3.707 2.065 5.499 0.5647 0.2711 0.1161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24116 7514SOL HW124114 3.695 2.085 5.402 4.0941 1.3195 -0.2410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24117 7514SOL HW224115 3.642 1.995 5.527 -0.4115 -0.2379 -3.0552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24118 7515SOL OW24116 5.114 1.872 5.430 -0.1979 0.1095 0.4865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24119 7515SOL HW124117 5.085 1.878 5.525 0.1427 0.3014 0.5796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24120 7515SOL HW224118 5.034 1.874 5.370 -0.3290 2.3074 0.6517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24121 7516SOL OW24119 4.318 1.932 5.471 0.3619 -0.2843 0.0612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24122 7516SOL HW124120 4.371 1.857 5.510 -0.1659 -0.7527 -0.1186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24123 7516SOL HW224121 4.242 1.954 5.532 0.4616 0.0496 0.0692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24124 7517SOL OW24122 4.644 3.317 4.952 -0.5657 0.4305 0.2261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24125 7517SOL HW124123 4.562 3.260 4.954 -0.4878 0.2943 -0.2695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24126 7517SOL HW224124 4.724 3.262 4.973 -0.2715 -0.0637 -1.9468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24127 7518SOL OW24125 4.890 2.358 5.169 -0.2406 0.2114 0.3111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24128 7518SOL HW124126 4.909 2.369 5.267 0.6689 -0.3618 0.2135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24129 7518SOL HW224127 4.948 2.420 5.117 -0.9418 0.7324 0.1392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24130 7519SOL OW24128 4.693 2.363 4.649 0.5747 0.1458 -0.1251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24131 7519SOL HW124129 4.622 2.293 4.654 -0.2560 0.9491 -0.4530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24132 7519SOL HW224130 4.782 2.321 4.668 -0.3302 -0.1987 4.5611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24133 7520SOL OW24131 4.634 2.287 5.232 -0.1076 0.4332 0.0142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24134 7520SOL HW124132 4.618 2.197 5.272 0.8686 -0.2876 -1.1607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24135 7520SOL HW224133 4.727 2.291 5.196 -0.3901 1.6678 -0.6065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24136 7521SOL OW24134 5.183 3.343 4.643 -0.4760 -0.5427 0.1449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24137 7521SOL HW124135 5.179 3.399 4.561 -0.6065 0.0266 0.5308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24138 7521SOL HW224136 5.098 3.353 4.695 -0.1691 -0.4488 0.6383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24139 7522SOL OW24137 3.305 2.432 5.151 -0.0176 0.0809 -0.2443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24140 7522SOL HW124138 3.328 2.525 5.179 -0.0205 0.0136 -0.0153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24141 7522SOL HW224139 3.207 2.417 5.161 0.3350 -0.9286 2.7749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24142 7523SOL OW24140 4.303 1.750 4.814 -0.5470 0.4227 -0.1649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24143 7523SOL HW124141 4.384 1.810 4.814 -1.0087 1.0531 -0.1605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24144 7523SOL HW224142 4.221 1.805 4.798 -0.8671 -0.3661 -1.3705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24145 7524SOL OW24143 5.362 3.096 4.414 -0.0104 -0.4772 -0.2856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24146 7524SOL HW124144 5.422 3.142 4.480 0.5958 0.9754 -1.7894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24147 7524SOL HW224145 5.278 3.067 4.461 0.7543 -0.2542 1.3009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24148 7525SOL OW24146 5.175 2.301 4.681 -0.1937 -0.0007 0.5067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24149 7525SOL HW124147 5.187 2.289 4.582 0.2015 -1.8711 0.7455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24150 7525SOL HW224148 5.262 2.328 4.722 0.2838 -1.5866 0.6225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24151 7526SOL OW24149 5.476 2.537 4.168 -0.4268 -0.1405 -0.4674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24152 7526SOL HW124150 5.565 2.507 4.202 -0.4404 -0.3261 -0.5910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24153 7526SOL HW224151 5.489 2.582 4.079 -0.4290 0.0400 -0.3758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24154 7527SOL OW24152 5.413 3.043 4.114 0.2369 -0.5191 -0.0548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24155 7527SOL HW124153 5.485 2.988 4.072 -0.2253 -0.5749 -0.7810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24156 7527SOL HW224154 5.394 3.009 4.206 0.5194 -1.0615 -0.1978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24157 7528SOL OW24155 5.157 2.313 3.762 -0.7256 -0.4719 -0.2895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24158 7528SOL HW124156 5.088 2.263 3.814 0.3535 -2.5937 -0.7727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24159 7528SOL HW224157 5.238 2.255 3.750 0.0379 0.8786 -2.1548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24160 7529SOL OW24158 5.349 2.994 5.228 -0.5001 -0.0372 0.1446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24161 7529SOL HW124159 5.362 2.895 5.226 -1.0800 -0.1275 0.4678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24162 7529SOL HW224160 5.372 3.029 5.319 -0.5133 0.0929 0.0982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24163 7530SOL OW24161 4.876 2.951 5.068 -0.0820 -0.0316 0.3672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24164 7530SOL HW124162 4.785 2.925 5.035 -0.5860 0.5674 1.2588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24165 7530SOL HW224163 4.893 2.907 5.156 1.2285 -1.5660 -0.5744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24166 7531SOL OW24164 5.196 3.260 5.353 0.1977 -0.4173 0.4107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24167 7531SOL HW124165 5.117 3.222 5.306 0.6883 0.5989 -1.3191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24168 7531SOL HW224166 5.256 3.304 5.287 0.0722 2.6499 2.1866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24169 7532SOL OW24167 4.639 2.928 4.932 -0.7423 -0.6249 -0.1001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24170 7532SOL HW124168 4.585 2.959 5.011 -2.0999 -1.7812 -0.5191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24171 7532SOL HW224169 4.578 2.885 4.865 0.6746 -1.6933 -0.7605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24172 7533SOL OW24170 5.358 2.765 4.747 0.3121 0.8572 -0.0167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24173 7533SOL HW124171 5.291 2.831 4.783 0.9853 1.6905 -0.2603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24174 7533SOL HW224172 5.326 2.731 4.659 -0.4556 0.1998 0.5065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24175 7534SOL OW24173 4.405 2.014 4.947 -0.7668 -0.0854 -1.2381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24176 7534SOL HW124174 4.493 1.993 4.989 -0.1969 -0.6532 -2.6620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24177 7534SOL HW224175 4.342 2.048 5.017 -0.2607 -2.1234 0.2998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24178 7535SOL OW24176 4.418 2.868 5.383 -0.1735 0.7747 0.6962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24179 7535SOL HW124177 4.335 2.892 5.434 -0.1124 3.5486 -0.3027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24180 7535SOL HW224178 4.394 2.812 5.304 -0.6268 -1.1218 2.1139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24181 7536SOL OW24179 3.730 2.321 5.077 -0.1664 0.1490 0.5597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24182 7536SOL HW124180 3.695 2.329 5.171 -0.1432 -1.4654 0.7382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24183 7536SOL HW224181 3.756 2.226 5.060 0.8882 0.6470 -0.7248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24184 7537SOL OW24182 4.805 2.241 4.952 0.5122 0.0381 1.3818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24185 7537SOL HW124183 4.847 2.296 5.025 -0.5830 1.3659 1.0516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24186 7537SOL HW224184 4.706 2.250 4.956 0.4296 0.6511 -0.6262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24187 7538SOL OW24185 5.013 3.144 4.936 0.0594 0.1258 -0.1916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24188 7538SOL HW124186 5.075 3.201 4.990 -0.6425 0.0716 0.7050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24189 7538SOL HW224187 4.974 3.073 4.995 -1.1101 0.3714 -0.6528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24190 7539SOL OW24188 4.292 2.527 5.464 0.7360 -0.2702 0.3651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24191 7539SOL HW124189 4.314 2.588 5.540 0.8160 0.3716 -0.1631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24192 7539SOL HW224190 4.367 2.463 5.449 0.9005 -0.1221 0.5633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24193 7540SOL OW24191 5.353 2.532 5.336 0.7829 0.3698 0.0195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24194 7540SOL HW124192 5.270 2.565 5.381 1.0329 0.1453 0.6439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24195 7540SOL HW224193 5.379 2.597 5.264 1.5431 1.8285 1.5524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24196 7541SOL OW24194 4.751 1.819 5.593 -0.0765 -1.0615 0.2057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24197 7541SOL HW124195 4.828 1.877 5.567 0.1999 -0.7621 1.6048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24198 7541SOL HW224196 4.779 1.757 5.666 -0.9702 -1.4597 0.2251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24199 7542SOL OW24197 3.999 1.865 5.499 -0.3710 -0.0437 -0.0053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24200 7542SOL HW124198 3.930 1.793 5.489 -0.3715 -0.0638 0.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24201 7542SOL HW224199 3.963 1.937 5.558 -0.5520 0.3034 -0.5270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24202 7543SOL OW24200 5.028 2.515 4.657 0.0295 -0.5048 0.3946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24203 7543SOL HW124201 5.075 2.517 4.569 -0.6620 0.5284 0.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24204 7543SOL HW224202 5.067 2.443 4.714 2.2062 0.4233 0.1946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24205 7544SOL OW24203 4.185 2.735 4.997 0.0186 0.2808 -0.0104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24206 7544SOL HW124204 4.134 2.652 4.973 0.4862 0.1390 -0.5231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24207 7544SOL HW224205 4.221 2.777 4.914 -1.1133 1.5928 0.1353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24208 7545SOL OW24206 5.419 2.796 5.479 0.9496 -0.5006 0.5812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24209 7545SOL HW124207 5.421 2.697 5.462 -1.0289 -0.4195 -0.3993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24210 7545SOL HW224208 5.366 2.815 5.562 -3.7234 -0.1224 -2.1180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24211 7546SOL OW24209 5.439 2.310 4.390 0.0510 -0.0404 -0.6933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24212 7546SOL HW124210 5.464 2.368 4.312 1.2624 -0.0933 -0.3658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24213 7546SOL HW224211 5.342 2.321 4.409 -0.1330 0.4623 -1.8064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24214 7547SOL OW24212 4.370 3.255 5.601 -0.4169 -0.1087 -0.4307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24215 7547SOL HW124213 4.410 3.250 5.510 -2.0455 -1.6783 -1.1255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24216 7547SOL HW224214 4.412 3.185 5.660 1.1558 1.3806 0.3053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24217 7548SOL OW24215 5.397 3.320 5.177 0.1007 0.3605 -0.4507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24218 7548SOL HW124216 5.436 3.389 5.114 0.3888 -0.2148 -0.9134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24219 7548SOL HW224217 5.469 3.284 5.236 0.0072 0.2444 -0.4066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24220 7549SOL OW24218 3.933 2.673 5.645 -0.1504 -0.3741 -0.0702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24221 7549SOL HW124219 4.025 2.660 5.607 0.1303 1.0100 0.1021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24222 7549SOL HW224220 3.890 2.584 5.659 1.5136 -1.0823 0.7188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24223 7550SOL OW24221 4.865 2.071 5.402 -0.3532 -0.1955 0.8381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24224 7550SOL HW124222 4.789 2.077 5.466 -0.2587 -1.7381 1.1305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24225 7550SOL HW224223 4.917 2.157 5.404 -2.2806 1.0448 0.3357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24226 7551SOL OW24224 4.917 1.998 5.136 0.0265 -0.2384 -0.3754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24227 7551SOL HW124225 4.922 2.029 5.231 -0.6081 3.4843 -1.4002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24228 7551SOL HW224226 4.992 2.039 5.084 -0.5974 -0.8826 -1.8468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24229 7552SOL OW24227 4.475 2.298 5.011 -0.1020 -0.1217 0.8404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24230 7552SOL HW124228 4.467 2.393 4.980 0.6975 0.1282 1.3576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24231 7552SOL HW224229 4.533 2.295 5.093 2.9493 -1.4215 -1.1632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24232 7553SOL OW24230 3.631 2.405 4.858 0.0198 0.7458 0.3111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24233 7553SOL HW124231 3.558 2.339 4.837 0.7160 0.1793 -0.4208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24234 7553SOL HW224232 3.675 2.380 4.944 0.3863 0.1391 -0.0426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24235 7554SOL OW24233 3.815 2.365 5.394 0.1304 -0.4509 0.2389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24236 7554SOL HW124234 3.857 2.283 5.355 -1.6729 -1.5475 0.4606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24237 7554SOL HW224235 3.871 2.445 5.373 1.5361 -1.6260 -0.6709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24238 7555SOL OW24236 5.092 2.663 5.365 0.6412 -0.2207 0.3036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24239 7555SOL HW124237 5.052 2.751 5.339 -0.4911 -0.7299 0.2873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24240 7555SOL HW224238 5.072 2.595 5.294 1.1087 -0.6136 0.5443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24241 7556SOL OW24239 5.419 2.342 4.808 0.1513 0.2246 1.0390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24242 7556SOL HW124240 5.452 2.277 4.878 2.2241 0.4374 0.3403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24243 7556SOL HW224241 5.480 2.338 4.729 -3.4724 -1.8278 -1.9618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24244 7557SOL OW24242 3.952 3.355 5.513 0.3284 -0.5135 0.3405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24245 7557SOL HW124243 3.876 3.379 5.573 -2.9432 -2.0236 -2.8711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24246 7557SOL HW224244 3.946 3.259 5.488 1.7255 -0.0276 -2.1423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24247 7558SOL OW24245 4.125 2.481 4.856 -0.0113 -0.4650 0.3380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24248 7558SOL HW124246 4.219 2.513 4.853 0.8420 -2.7753 -0.1864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24249 7558SOL HW224247 4.115 2.414 4.930 -1.5465 0.5735 1.1092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24250 7559SOL OW24248 4.770 3.341 5.335 -0.4962 -0.5009 -0.0844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24251 7559SOL HW124249 4.790 3.317 5.429 -0.5464 -1.0035 -0.1966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24252 7559SOL HW224250 4.798 3.435 5.317 1.2042 -0.9829 -0.0813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24253 7560SOL OW24251 3.994 2.762 5.313 0.1967 0.3877 -0.0897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24254 7560SOL HW124252 3.906 2.786 5.353 -1.1986 -1.0327 -2.0554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24255 7560SOL HW224253 4.045 2.845 5.290 -0.2367 1.2150 1.8056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24256 7561SOL OW24254 4.927 2.691 4.832 0.7983 0.2066 0.0241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24257 7561SOL HW124255 4.958 2.630 4.759 1.3574 0.3102 0.1680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24258 7561SOL HW224256 4.973 2.780 4.823 -2.3824 1.8266 -2.1519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24259 7562SOL OW24257 5.353 3.514 4.768 -0.4531 0.0813 -0.4171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24260 7562SOL HW124258 5.381 3.570 4.691 2.7410 -3.3117 -2.0267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24261 7562SOL HW224259 5.319 3.426 4.734 -1.3949 -0.5945 2.0477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24262 7563SOL OW24260 4.668 3.576 5.003 0.1907 0.0231 1.0765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24263 7563SOL HW124261 4.764 3.586 4.974 -0.0772 -0.3649 0.0348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24264 7563SOL HW224262 4.641 3.480 4.997 -0.3565 0.1741 1.0905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24265 7564SOL OW24263 4.189 3.431 5.651 0.9117 0.0464 -0.0168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24266 7564SOL HW124264 4.104 3.398 5.608 0.9518 -1.2164 0.8135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24267 7564SOL HW224265 4.260 3.362 5.640 1.3959 0.4404 0.6282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24268 7565SOL OW24266 4.000 3.417 5.857 -0.3382 -0.0432 0.2221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24269 7565SOL HW124267 3.912 3.408 5.811 -1.0038 -2.3131 1.8284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24270 7565SOL HW224268 4.074 3.403 5.790 -1.2490 -1.5955 -0.5140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24271 7566SOL OW24269 5.180 3.605 4.967 -0.4359 -0.0687 0.1287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24272 7566SOL HW124270 5.227 3.557 4.893 0.9327 0.1531 0.8234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24273 7566SOL HW224271 5.247 3.636 5.035 -1.4746 1.2281 0.6077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24274 7567SOL OW24272 5.282 1.864 4.635 -0.0908 -0.1155 0.4782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24275 7567SOL HW124273 5.311 1.801 4.563 2.0023 1.7569 -0.4522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24276 7567SOL HW224274 5.243 1.946 4.593 -0.8454 0.1136 1.5837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24277 7568SOL OW24275 5.027 3.424 3.696 0.0411 -0.0257 -0.6639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24278 7568SOL HW124276 4.958 3.460 3.758 -0.6022 0.4268 -1.6263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24279 7568SOL HW224277 5.095 3.495 3.677 0.5465 -0.3345 -0.0670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24280 7569SOL OW24278 4.433 2.574 4.934 0.3019 -0.1434 -0.2276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24281 7569SOL HW124279 4.439 2.655 4.877 -0.0751 -0.4321 -0.6873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24282 7569SOL HW224280 4.423 2.601 5.030 0.2103 0.3478 -0.3725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24283 7570SOL OW24281 5.340 3.072 4.776 0.8535 0.5700 0.0036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24284 7570SOL HW124282 5.391 3.040 4.856 1.6406 1.5492 -0.0773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24285 7570SOL HW224283 5.314 3.168 4.790 0.9580 0.7388 -0.8853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24286 7571SOL OW24284 5.246 2.165 5.108 -0.0667 -0.3476 0.0490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24287 7571SOL HW124285 5.324 2.225 5.090 -2.0193 2.0442 -1.2916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24288 7571SOL HW224286 5.262 2.075 5.068 1.5803 0.4048 -1.0886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24289 7572SOL OW24287 3.775 2.841 5.508 0.4575 -0.0050 0.3827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24290 7572SOL HW124288 3.690 2.851 5.559 0.9063 -0.8222 1.3326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24291 7572SOL HW224289 3.835 2.777 5.556 1.1989 -0.2306 -0.8020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24292 7573SOL OW24290 4.163 1.957 5.255 -0.8218 -0.0718 0.0171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24293 7573SOL HW124291 4.210 2.028 5.203 -0.8306 0.0627 0.1941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24294 7573SOL HW224292 4.220 1.929 5.333 -0.8047 -0.2792 -0.0695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24295 7574SOL OW24293 5.067 2.556 5.050 -0.4766 -0.0096 0.1250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24296 7574SOL HW124294 5.019 2.624 4.996 0.1614 -0.2671 -0.7941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24297 7574SOL HW224295 5.152 2.531 5.004 -0.5749 -1.2389 0.5754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24298 7575SOL OW24296 4.352 2.646 5.209 -0.0405 -0.5749 -0.4982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24299 7575SOL HW124297 4.324 2.626 5.302 0.7807 -0.1518 -0.1434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24300 7575SOL HW224298 4.279 2.694 5.161 -0.0868 0.1097 0.2476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24301 7576SOL OW24299 4.907 3.567 4.886 0.6752 -0.6654 0.0964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24302 7576SOL HW124300 4.906 3.470 4.860 -0.5949 -0.7954 0.5458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24303 7576SOL HW224301 4.997 3.591 4.921 1.2269 -1.4954 -0.6941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24304 7577SOL OW24302 4.557 2.062 5.346 0.0919 0.4553 -0.5495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24305 7577SOL HW124303 4.585 2.065 5.442 -0.2698 1.0403 -0.4596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24306 7577SOL HW224304 4.460 2.037 5.341 0.2588 -0.1662 -0.7939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24307 7578SOL OW24305 4.966 2.904 5.307 -0.1043 -0.2469 0.5060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24308 7578SOL HW124306 4.996 2.997 5.284 1.4882 -0.5432 1.2333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24309 7578SOL HW224307 4.969 2.892 5.406 -2.8899 -0.2739 0.6593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24310 7579SOL OW24308 4.051 3.534 5.302 0.1823 -0.6978 -0.2332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24311 7579SOL HW124309 4.033 3.488 5.389 2.1634 0.2881 0.7584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24312 7579SOL HW224310 4.066 3.466 5.230 2.4490 -1.6593 1.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24313 7580SOL OW24311 5.298 2.567 4.923 0.2018 0.6830 0.4133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24314 7580SOL HW124312 5.324 2.479 4.884 -0.6254 0.0269 1.2971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24315 7580SOL HW224313 5.316 2.640 4.856 -1.2330 -0.4002 -1.2509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24316 7581SOL OW24314 5.183 2.137 5.385 0.4285 -0.2078 0.0937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24317 7581SOL HW124315 5.221 2.146 5.293 -0.1241 0.0374 -0.1125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24318 7581SOL HW224316 5.165 2.040 5.404 -2.8621 -0.0252 -1.4733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24319 7582SOL OW24317 5.433 2.691 5.142 0.6201 0.3439 -0.3029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24320 7582SOL HW124318 5.504 2.753 5.109 -0.2349 1.7026 0.3256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24321 7582SOL HW224319 5.381 2.656 5.064 -0.2816 2.1848 -0.5972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24322 7583SOL OW24320 5.420 3.416 4.449 0.0332 0.2388 -0.6180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24323 7583SOL HW124321 5.435 3.398 4.352 2.5385 2.0070 -0.6635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24324 7583SOL HW224322 5.473 3.351 4.504 -1.8426 -1.1387 -0.3460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24325 7584SOL OW24323 3.922 3.080 5.548 -0.9215 0.7016 0.1830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24326 7584SOL HW124324 3.850 3.020 5.514 -0.6985 0.6036 -0.1231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24327 7584SOL HW224325 3.919 3.082 5.648 -2.0221 1.5356 0.1550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24328 7585SOL OW24326 5.273 1.921 5.019 -0.6843 0.2399 -0.6694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24329 7585SOL HW124327 5.361 1.906 4.974 0.7234 2.0921 1.2896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24330 7585SOL HW224328 5.200 1.888 4.959 1.2871 -1.5796 -2.2845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24331 7586SOL OW24329 5.506 3.231 4.603 0.6938 -0.0623 0.1037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24332 7586SOL HW124330 5.458 3.169 4.665 -0.0834 1.9413 1.6251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24333 7586SOL HW224331 5.601 3.241 4.633 0.2825 1.0191 1.1713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24334 7587SOL OW24332 4.051 2.330 5.087 0.1607 -0.2242 -0.4964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24335 7587SOL HW124333 4.043 2.402 5.155 -0.0646 -0.7207 0.0135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24336 7587SOL HW224334 4.000 2.249 5.118 1.0552 -0.8774 -0.6841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24337 7588SOL OW24335 4.752 1.947 4.808 0.4154 -0.0763 0.4289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24338 7588SOL HW124336 4.734 1.898 4.893 -0.1428 1.6454 1.3318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24339 7588SOL HW224337 4.744 2.045 4.823 -0.4806 0.2490 -1.7933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24340 7589SOL OW24338 4.650 1.951 5.123 0.1945 -0.1809 0.2453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24341 7589SOL HW124339 4.747 1.975 5.128 -0.1875 2.4866 -2.6821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24342 7589SOL HW224340 4.604 1.982 5.207 1.6150 -0.3276 1.1143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24343 7590SOL OW24341 4.466 3.293 5.342 -0.3732 0.3434 0.0173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24344 7590SOL HW124342 4.415 3.376 5.319 -1.6283 -0.6957 -1.1673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24345 7590SOL HW224343 4.563 3.306 5.319 -0.6833 1.2223 -0.8645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24346 7591SOL OW24344 5.135 2.036 4.456 -0.0296 0.3554 0.2716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24347 7591SOL HW124345 5.048 1.991 4.478 -0.3289 0.4361 -0.6814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24348 7591SOL HW224346 5.119 2.135 4.444 0.3224 0.4730 0.7831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24349 7592SOL OW24347 3.830 2.425 5.651 -0.3760 0.9897 0.2156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24350 7592SOL HW124348 3.742 2.420 5.699 0.4068 -2.3461 1.5953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24351 7592SOL HW224349 3.824 2.372 5.566 -0.2131 2.4000 -0.6976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24352 7593SOL OW24350 3.905 2.113 6.470 -0.2872 -0.1294 0.2012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24353 7593SOL HW124351 3.945 2.073 6.552 0.2268 -0.8753 -0.4082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24354 7593SOL HW224352 3.838 2.183 6.497 1.0644 0.8266 1.2426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24355 7594SOL OW24353 3.731 2.262 6.135 -0.4746 -0.7626 -0.0049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24356 7594SOL HW124354 3.654 2.278 6.197 0.1752 -0.2807 0.6949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24357 7594SOL HW224355 3.719 2.173 6.090 -0.9476 -1.1389 0.8357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24358 7595SOL OW24356 4.366 3.143 6.714 -0.1493 -0.0265 -0.0681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24359 7595SOL HW124357 4.361 3.242 6.708 1.2749 0.0358 -0.6519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24360 7595SOL HW224358 4.299 3.102 6.653 -2.0802 0.5377 1.5886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24361 7596SOL OW24359 5.189 3.127 6.123 -0.2282 0.1938 -0.3256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24362 7596SOL HW124360 5.201 3.090 6.215 -0.9470 1.0081 0.1004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24363 7596SOL HW224361 5.153 3.220 6.128 -0.6466 0.1086 -1.4324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24364 7597SOL OW24362 4.680 2.701 6.081 -0.3684 0.2073 0.0782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24365 7597SOL HW124363 4.767 2.707 6.132 1.1853 -2.0844 -2.0538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24366 7597SOL HW224364 4.606 2.681 6.145 0.6210 2.0412 1.9554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24367 7598SOL OW24365 5.580 2.314 5.674 0.2587 -0.3910 -0.8084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24368 7598SOL HW124366 5.516 2.297 5.599 -0.2099 -0.2586 -0.4419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24369 7598SOL HW224367 5.621 2.227 5.703 0.2940 -0.4669 -1.0855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24370 7599SOL OW24368 4.417 2.833 6.648 0.1820 0.0591 0.1500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24371 7599SOL HW124369 4.336 2.884 6.617 1.2429 1.2516 -0.7841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24372 7599SOL HW224370 4.460 2.882 6.723 0.4934 -0.1378 0.1010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24373 7600SOL OW24371 4.589 2.461 0.161 0.4244 0.3392 -0.0130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24374 7600SOL HW124372 4.546 2.502 0.242 -0.7584 -1.1324 0.1581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24375 7600SOL HW224373 4.586 2.526 0.085 -0.6113 0.8864 0.4781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24376 7601SOL OW24374 4.492 2.682 6.288 -0.5370 -0.0417 -0.1618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24377 7601SOL HW124375 4.564 2.725 6.343 0.3749 0.7455 -1.8862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24378 7601SOL HW224376 4.407 2.733 6.297 -0.3510 0.1693 0.3893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24379 7602SOL OW24377 4.051 3.290 6.618 -0.2518 -0.0738 0.1162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24380 7602SOL HW124378 4.117 3.264 6.548 -3.0333 -0.6334 -2.5492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24381 7602SOL HW224379 3.971 3.230 6.611 -1.0496 0.4878 3.2222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24382 7603SOL OW24380 4.928 3.419 7.069 0.1883 0.3710 0.0022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24383 7603SOL HW124381 5.008 3.456 7.117 0.4513 -0.7247 0.4322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24384 7603SOL HW224382 4.951 3.403 6.973 0.1838 0.9522 -0.1012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24385 7604SOL OW24383 4.149 2.172 7.032 0.2477 -0.1804 -0.3983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24386 7604SOL HW124384 4.194 2.086 7.007 -0.2796 -0.4075 -0.5609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24387 7604SOL HW224385 4.219 2.241 7.050 0.6645 -0.3292 -1.3652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24388 7605SOL OW24386 5.208 2.340 6.108 -0.4986 -0.1228 0.1846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24389 7605SOL HW124387 5.234 2.382 6.021 1.0545 -0.3803 0.4966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24390 7605SOL HW224388 5.120 2.376 6.137 -0.1370 1.4256 -0.5400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24391 7606SOL OW24389 3.719 3.554 6.045 0.6228 0.0123 0.2232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24392 7606SOL HW124390 3.651 3.571 6.116 -0.7384 1.1615 -1.2874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24393 7606SOL HW224391 3.808 3.590 6.075 0.1507 0.2202 1.4287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24394 7607SOL OW24392 3.566 3.332 5.985 0.0282 0.5811 0.1083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24395 7607SOL HW124393 3.601 3.425 5.975 -0.6735 0.7289 -1.1983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24396 7607SOL HW224394 3.470 3.335 6.012 -0.1302 0.2592 -0.3908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24397 7608SOL OW24395 4.165 2.963 6.556 -0.3217 0.1043 0.0817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24398 7608SOL HW124396 4.120 2.892 6.610 -2.7162 1.3805 -0.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24399 7608SOL HW224397 4.096 3.028 6.524 1.6852 2.0972 -0.3871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24400 7609SOL OW24398 4.325 3.476 7.190 0.1976 0.4275 -0.5990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24401 7609SOL HW124399 4.226 3.465 7.180 0.2353 -0.0363 -0.4696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24402 7609SOL HW224400 4.358 3.540 7.121 0.0820 -0.8551 -1.8966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24403 7610SOL OW24401 4.270 2.707 5.652 0.1378 -0.8833 0.3171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24404 7610SOL HW124402 4.225 2.788 5.616 -2.5934 -2.4914 -0.2013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24405 7610SOL HW224403 4.292 2.721 5.749 1.1052 0.9475 -0.1229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24406 7611SOL OW24404 5.281 2.107 7.049 -0.4926 0.3648 -0.5620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24407 7611SOL HW124405 5.294 2.205 7.061 2.1850 0.0050 0.1405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24408 7611SOL HW224406 5.329 2.058 7.121 -1.6379 -1.4992 -0.9979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24409 7612SOL OW24407 4.070 2.499 6.210 0.4496 0.4746 0.3424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24410 7612SOL HW124408 4.131 2.424 6.185 0.7614 1.9348 -4.1401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24411 7612SOL HW224409 4.097 2.536 6.300 1.6495 -3.2220 1.6793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24412 7613SOL OW24410 5.438 3.574 5.905 0.1505 0.0739 -0.0637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24413 7613SOL HW124411 5.525 3.526 5.917 -0.9418 -2.0452 0.0023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24414 7613SOL HW224412 5.453 3.657 5.852 1.9376 -1.3097 -1.9315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24415 7614SOL OW24413 3.776 3.418 5.716 -0.3616 0.0366 0.2339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24416 7614SOL HW124414 3.717 3.337 5.725 -2.1260 1.0305 -1.5478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24417 7614SOL HW224415 3.726 3.499 5.747 0.0752 0.9099 -1.2668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24418 7615SOL OW24416 5.554 2.720 6.332 -0.3854 0.0587 0.3902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24419 7615SOL HW124417 5.559 2.629 6.373 -1.0860 -0.6538 -1.0245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24420 7615SOL HW224418 5.630 2.733 6.269 0.7464 1.1861 1.9355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24421 7616SOL OW24419 5.576 2.860 6.029 0.5019 -0.4074 -0.2553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24422 7616SOL HW124420 5.579 2.797 5.952 1.0953 0.5766 -1.0658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24423 7616SOL HW224421 5.523 2.941 6.004 0.3186 -0.2747 0.5308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24424 7617SOL OW24422 3.827 2.501 7.193 -0.2839 -0.2047 0.2037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24425 7617SOL HW124423 3.913 2.503 7.245 -0.5047 -1.0247 0.6217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24426 7617SOL HW224424 3.782 2.590 7.200 -0.4140 -0.3552 1.6174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24427 7618SOL OW24425 4.372 3.109 6.208 0.4894 0.1069 -0.1761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24428 7618SOL HW124426 4.390 3.059 6.124 0.2971 0.3062 -0.3357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24429 7618SOL HW224427 4.282 3.154 6.202 0.4678 0.1094 0.1381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24430 7619SOL OW24428 4.792 2.961 7.010 0.2861 0.3388 0.8051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24431 7619SOL HW124429 4.874 3.018 7.008 -0.5497 1.5595 0.0176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24432 7619SOL HW224430 4.731 2.993 7.082 -1.3343 2.1778 -1.2684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24433 7620SOL OW24431 4.541 1.734 6.110 -0.2879 -0.1685 0.2502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24434 7620SOL HW124432 4.582 1.819 6.078 -0.5702 -0.6252 -1.3847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24435 7620SOL HW224433 4.460 1.755 6.165 0.1837 0.6260 0.6620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24436 7621SOL OW24434 4.013 2.763 6.747 0.1878 -0.1173 -0.2456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24437 7621SOL HW124435 4.014 2.763 6.847 -1.8073 2.1455 -0.1133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24438 7621SOL HW224436 4.056 2.680 6.713 0.2229 -1.3393 2.4962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24439 7622SOL OW24437 5.388 2.747 5.799 0.4321 0.2014 -0.0384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24440 7622SOL HW124438 5.345 2.750 5.889 1.4158 1.1114 0.4189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24441 7622SOL HW224439 5.464 2.683 5.800 0.8989 0.7484 -0.0059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24442 7623SOL OW24440 5.125 3.600 0.044 -0.3931 0.4449 -0.4270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24443 7623SOL HW124441 5.170 3.646 -0.033 -0.2427 -1.2106 -1.3768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24444 7623SOL HW224442 5.028 3.623 0.044 -0.3944 0.4737 -1.1263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24445 7624SOL OW24443 4.065 2.072 0.012 -0.4990 -0.1628 0.4742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24446 7624SOL HW124444 4.032 2.141 0.076 1.2309 0.2682 0.9564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24447 7624SOL HW224445 4.093 2.115 -0.073 -1.6298 -0.5882 -0.1299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24448 7625SOL OW24446 5.143 3.182 6.486 0.0950 -0.2805 0.2195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24449 7625SOL HW124447 5.131 3.138 6.575 -1.6453 0.5916 0.4600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24450 7625SOL HW224448 5.159 3.112 6.417 -0.2224 -1.1108 0.9570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24451 7626SOL OW24449 5.299 3.816 6.088 0.5900 -0.5765 -0.4748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24452 7626SOL HW124450 5.338 3.728 6.115 -0.2328 -0.7694 0.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24453 7626SOL HW224451 5.246 3.853 6.164 1.8735 1.0203 -0.2897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24454 7627SOL OW24452 4.228 2.479 5.790 0.0446 -0.0205 0.4264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24455 7627SOL HW124453 4.238 2.533 5.707 -1.1664 0.0292 0.2942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24456 7627SOL HW224454 4.171 2.528 5.856 2.4626 0.7786 2.0629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24457 7628SOL OW24455 5.052 2.339 6.534 -0.2666 -0.2005 0.4945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24458 7628SOL HW124456 4.955 2.316 6.526 0.1654 -1.9428 -0.2424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24459 7628SOL HW224457 5.089 2.296 6.617 0.0302 -0.1529 0.3862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24460 7629SOL OW24458 5.186 3.472 5.845 -0.2232 0.3296 -0.5152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24461 7629SOL HW124459 5.284 3.492 5.856 -0.4576 0.4252 1.8305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24462 7629SOL HW224460 5.170 3.439 5.752 1.8857 1.1278 -1.2374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24463 7630SOL OW24461 4.374 2.324 7.044 0.2069 0.0088 0.2963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24464 7630SOL HW124462 4.431 2.252 7.084 1.0736 -0.3562 -1.4946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24465 7630SOL HW224463 4.374 2.315 6.944 -0.9526 1.5491 0.1211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24466 7631SOL OW24464 4.665 2.664 7.243 -0.0355 -0.3261 -1.2733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24467 7631SOL HW124465 4.696 2.576 7.208 0.5004 -0.5677 -0.2350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24468 7631SOL HW224466 4.597 2.703 7.181 -0.4461 -1.5650 -1.6289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24469 7632SOL OW24467 4.708 2.237 6.838 -0.6964 0.4706 -0.3372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24470 7632SOL HW124468 4.662 2.168 6.781 0.7555 0.4978 -1.6262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24471 7632SOL HW224469 4.757 2.191 6.912 -0.5407 0.1940 -0.6082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24472 7633SOL OW24470 4.579 2.545 5.853 0.2689 0.1127 -0.0920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24473 7633SOL HW124471 4.636 2.573 5.930 0.4433 1.6998 -0.7509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24474 7633SOL HW224472 4.570 2.445 5.852 -1.4552 0.1021 3.1539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24475 7634SOL OW24473 4.119 2.649 6.438 0.3442 -0.0796 0.1309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24476 7634SOL HW124474 4.152 2.623 6.529 -0.1139 0.3306 0.4209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24477 7634SOL HW224475 4.176 2.723 6.402 0.9611 -0.7099 -0.2245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24478 7635SOL OW24476 3.610 3.782 7.144 0.4206 0.7921 0.0218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24479 7635SOL HW124477 3.597 3.738 7.232 2.1488 -0.9802 -0.5375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24480 7635SOL HW224478 3.554 3.865 7.139 -2.0057 -0.6346 1.5982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24481 7636SOL OW24479 4.538 1.997 5.759 0.0207 -0.2915 -0.1955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24482 7636SOL HW124480 4.578 2.056 5.688 0.1744 -0.7117 -0.4607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24483 7636SOL HW224481 4.508 1.911 5.718 -2.2751 0.4688 -0.2387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24484 7637SOL OW24482 4.949 2.919 5.980 0.3792 0.5155 0.2670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24485 7637SOL HW124483 4.955 3.017 5.961 1.7524 0.5310 0.6773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24486 7637SOL HW224484 4.870 2.881 5.933 1.5530 1.2403 -2.4975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24487 7638SOL OW24485 4.365 1.907 6.460 -0.4521 -0.2708 -0.1670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24488 7638SOL HW124486 4.302 1.922 6.537 0.2054 1.0034 0.1492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24489 7638SOL HW224487 4.388 1.994 6.418 2.3754 -0.4526 0.7559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24490 7639SOL OW24488 4.680 3.346 5.990 -0.1514 0.1306 0.1981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24491 7639SOL HW124489 4.626 3.369 5.909 0.1196 1.3762 0.3447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24492 7639SOL HW224490 4.629 3.373 6.073 1.2685 2.8312 0.3036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24493 7640SOL OW24491 3.977 3.533 6.498 0.1129 -0.3452 0.3465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24494 7640SOL HW124492 4.011 3.458 6.554 2.0278 -0.0843 -0.4052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24495 7640SOL HW224493 4.030 3.615 6.515 0.8493 -0.2814 -1.8546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24496 7641SOL OW24494 5.455 2.945 6.493 0.1557 0.4558 0.2529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24497 7641SOL HW124495 5.517 2.866 6.493 0.9598 1.0326 2.2578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24498 7641SOL HW224496 5.375 2.924 6.550 -0.9893 0.1424 -1.3930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24499 7642SOL OW24497 4.693 3.551 7.147 0.3410 -0.4161 -0.7727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24500 7642SOL HW124498 4.655 3.503 7.227 -1.0382 0.0119 -1.1402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24501 7642SOL HW224499 4.782 3.512 7.124 1.0069 -0.2435 1.2537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24502 7643SOL OW24500 4.058 2.624 5.947 0.0442 0.2692 0.2661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24503 7643SOL HW124501 3.970 2.599 5.906 -0.3783 0.8638 0.8020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24504 7643SOL HW224502 4.069 2.577 6.034 0.5663 -0.3287 -0.1121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24505 7644SOL OW24503 5.287 2.709 6.263 -0.2667 0.3607 -0.6215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24506 7644SOL HW124504 5.257 2.639 6.327 0.8826 1.4501 1.1864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24507 7644SOL HW224505 5.386 2.717 6.265 -0.1071 -0.1031 -3.1707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24508 7645SOL OW24506 4.170 2.918 0.103 -0.1163 -0.5001 -0.1341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24509 7645SOL HW124507 4.152 2.975 0.023 1.8240 1.5252 0.7548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24510 7645SOL HW224508 4.261 2.876 0.094 -0.1336 -0.7341 0.7269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24511 7646SOL OW24509 4.808 3.597 5.844 -0.3695 -0.5684 0.0088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24512 7646SOL HW124510 4.722 3.546 5.836 -0.7081 -0.0096 0.0594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24513 7646SOL HW224511 4.833 3.606 5.940 1.0192 -2.8131 -0.0624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24514 7647SOL OW24512 3.909 2.069 6.938 -0.0053 0.2076 -0.1417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24515 7647SOL HW124513 3.984 2.102 6.995 0.2782 -1.0264 0.2448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24516 7647SOL HW224514 3.842 2.142 6.925 0.6126 0.9288 0.6022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24517 7648SOL OW24515 5.406 3.134 5.480 0.3502 -0.4829 -0.1736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24518 7648SOL HW124516 5.325 3.181 5.444 0.7212 0.8462 0.6712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24519 7648SOL HW224517 5.379 3.076 5.557 0.2679 0.3624 0.4437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24520 7649SOL OW24518 3.986 3.505 6.120 0.1147 0.5468 -0.4612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24521 7649SOL HW124519 4.021 3.599 6.121 1.6202 0.0306 -1.5677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24522 7649SOL HW224520 3.984 3.471 6.026 -0.5579 -0.4927 -0.0862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24523 7650SOL OW24521 5.115 1.892 6.095 0.3724 -0.1605 -0.3470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24524 7650SOL HW124522 5.107 1.821 6.025 0.0262 0.5604 -1.0610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24525 7650SOL HW224523 5.209 1.926 6.099 0.0916 0.8257 -1.5249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24526 7651SOL OW24524 3.836 3.573 6.793 -0.0707 -0.5123 0.1283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24527 7651SOL HW124525 3.930 3.538 6.788 -1.4136 -4.6201 -0.0990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24528 7651SOL HW224526 3.796 3.570 6.701 -1.0637 -0.8806 0.5706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24529 7652SOL OW24527 4.726 3.421 6.538 0.1441 0.2255 0.5303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24530 7652SOL HW124528 4.797 3.401 6.471 0.4191 0.3218 0.7939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24531 7652SOL HW224529 4.675 3.337 6.558 -1.4127 0.6127 -1.4679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24532 7653SOL OW24530 4.301 2.337 6.053 0.2221 -0.3265 -0.1269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24533 7653SOL HW124531 4.256 2.249 6.067 0.0218 -0.1338 0.5189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24534 7653SOL HW224532 4.277 2.373 5.963 -0.6538 -0.3924 0.0642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24535 7654SOL OW24533 4.486 1.777 5.607 0.3955 -0.1259 -0.3013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24536 7654SOL HW124534 4.577 1.785 5.566 1.0292 0.0983 1.1080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24537 7654SOL HW224535 4.448 1.687 5.586 2.0554 -1.2685 1.2317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24538 7655SOL OW24536 4.366 2.067 0.132 0.3169 -0.1340 0.0708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24539 7655SOL HW124537 4.456 2.023 0.140 0.0516 -0.8236 -0.6070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24540 7655SOL HW224538 4.299 2.000 0.099 -0.4571 0.3682 0.5927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24541 7656SOL OW24539 4.719 3.134 6.619 -0.1147 -0.3340 0.5932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24542 7656SOL HW124540 4.681 3.145 6.528 1.5306 1.3327 0.0473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24543 7656SOL HW224541 4.656 3.079 6.675 -1.6109 -0.5706 -1.2197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24544 7657SOL OW24542 4.937 2.286 7.094 -0.6466 0.2160 -0.0090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24545 7657SOL HW124543 4.962 2.192 7.074 -0.7540 0.8234 -3.7997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24546 7657SOL HW224544 5.014 2.347 7.070 -1.1921 1.2263 0.7117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24547 7658SOL OW24545 4.586 3.158 6.369 -0.4296 -0.1558 -0.2747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24548 7658SOL HW124546 4.667 3.137 6.314 -0.0003 -0.2878 0.3993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24549 7658SOL HW224547 4.505 3.121 6.323 0.1887 -2.4843 0.3491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24550 7659SOL OW24548 4.757 2.326 6.531 0.3662 -0.6352 -0.2189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24551 7659SOL HW124549 4.749 2.309 6.433 -0.8920 -2.0884 0.1095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24552 7659SOL HW224550 4.730 2.245 6.582 -2.4963 1.1485 1.3854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24553 7660SOL OW24551 4.276 1.816 6.186 -0.4030 0.5284 0.0818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24554 7660SOL HW124552 4.241 1.886 6.124 0.9464 0.3586 -0.9269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24555 7660SOL HW224553 4.275 1.851 6.280 0.1505 1.8713 -0.3925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24556 7661SOL OW24554 5.300 2.990 5.677 0.1944 -0.2154 0.2311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24557 7661SOL HW124555 5.305 2.910 5.737 -1.5471 -1.4559 -1.1640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24558 7661SOL HW224556 5.212 3.035 5.688 0.3603 0.3046 -0.4646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24559 7662SOL OW24557 3.907 1.822 5.861 0.8835 -0.5217 0.7592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24560 7662SOL HW124558 3.927 1.878 5.781 0.4491 0.3256 1.2270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24561 7662SOL HW224559 3.990 1.774 5.890 0.3444 -3.7425 -2.3006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24562 7663SOL OW24560 4.612 1.988 6.047 -0.1188 0.5880 0.2092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24563 7663SOL HW124561 4.585 1.990 5.951 -2.1602 1.4727 0.7606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24564 7663SOL HW224562 4.702 2.030 6.057 0.1520 0.4280 -1.3070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24565 7664SOL OW24563 4.712 2.448 7.098 -0.0572 -0.1782 -0.2466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24566 7664SOL HW124564 4.676 2.368 7.050 0.8517 -0.1913 -0.9174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24567 7664SOL HW224565 4.807 2.433 7.122 0.2254 0.8317 -0.6729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24568 7665SOL OW24566 4.896 3.290 6.393 0.3128 0.7037 0.1975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24569 7665SOL HW124567 4.988 3.261 6.420 -0.5858 -1.6721 0.9716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24570 7665SOL HW224568 4.859 3.226 6.326 -0.2232 2.5189 -1.3194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24571 7666SOL OW24569 4.277 2.830 6.325 -0.0786 0.0208 -0.5612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24572 7666SOL HW124570 4.251 2.909 6.380 0.4738 1.0610 -1.7349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24573 7666SOL HW224571 4.224 2.830 6.240 1.4843 0.4453 -1.5865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24574 7667SOL OW24572 5.014 3.654 6.187 -0.1531 -0.8609 -0.3178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24575 7667SOL HW124573 5.006 3.737 6.132 0.0559 0.1405 1.1391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24576 7667SOL HW224574 4.923 3.625 6.218 -0.2178 -1.1557 -0.7680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24577 7668SOL OW24575 4.664 2.150 5.586 0.6101 -0.3966 -0.2275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24578 7668SOL HW124576 4.623 2.231 5.543 0.7171 -0.2970 -0.1419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24579 7668SOL HW224577 4.723 2.179 5.661 -2.3474 -0.6594 2.4181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24580 7669SOL OW24578 3.780 2.389 6.955 0.5158 -0.5071 0.3160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24581 7669SOL HW124579 3.865 2.376 6.903 -0.1234 -0.6895 -0.7015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24582 7669SOL HW224580 3.802 2.425 7.046 1.7500 -1.4478 0.4115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24583 7670SOL OW24581 4.223 1.960 6.696 -0.0720 0.3051 -0.7254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24584 7670SOL HW124582 4.270 1.919 6.775 1.3643 1.5505 -0.8949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24585 7670SOL HW224583 4.125 1.941 6.703 0.0764 -0.0246 1.0944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24586 7671SOL OW24584 4.723 2.250 6.255 0.6897 0.7191 -0.6399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24587 7671SOL HW124585 4.643 2.310 6.245 0.8103 0.9453 -0.2726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24588 7671SOL HW224586 4.693 2.160 6.286 0.6126 0.9369 -0.0586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24589 7672SOL OW24587 4.622 2.012 6.340 0.2877 -0.1923 0.3626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24590 7672SOL HW124588 4.575 1.981 6.257 1.2842 -1.1764 0.1328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24591 7672SOL HW224589 4.664 1.934 6.386 1.5918 0.6198 0.6110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24592 7673SOL OW24590 5.227 2.976 6.342 0.2947 -0.0501 -0.0477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24593 7673SOL HW124591 5.225 2.884 6.304 0.2913 0.6338 -1.8049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24594 7673SOL HW224592 5.316 2.992 6.387 0.2422 -0.9249 0.3816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24595 7674SOL OW24593 5.235 2.525 6.464 -0.1104 -0.5192 -0.4063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24596 7674SOL HW124594 5.167 2.452 6.471 0.3114 -0.7715 1.5830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24597 7674SOL HW224595 5.311 2.506 6.525 -0.7591 2.3494 1.5229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24598 7675SOL OW24596 5.548 2.532 5.864 0.4009 0.3741 -0.6317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24599 7675SOL HW124597 5.617 2.527 5.936 -0.6923 0.9406 0.5058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24600 7675SOL HW224598 5.560 2.457 5.800 -0.6245 -2.2430 2.0250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24601 7676SOL OW24599 3.971 3.068 5.986 0.0077 0.0634 0.5172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24602 7676SOL HW124600 3.897 3.129 6.017 0.6186 0.5338 1.0725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24603 7676SOL HW224601 3.933 2.997 5.926 -0.7851 0.7193 0.2291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24604 7677SOL OW24602 5.437 3.101 5.995 0.0535 -0.0817 -0.0881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24605 7677SOL HW124603 5.477 3.115 6.085 -0.7993 2.0108 0.0375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24606 7677SOL HW224604 5.337 3.111 6.002 0.0702 1.3320 -1.4253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24607 7678SOL OW24605 4.988 2.379 5.694 -0.2254 0.6792 -0.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24608 7678SOL HW124606 4.914 2.333 5.744 -0.2902 2.1141 1.1161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24609 7678SOL HW224607 5.075 2.338 5.720 -0.2394 1.5351 1.3295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24610 7679SOL OW24608 4.246 2.052 5.826 -0.2401 0.4133 0.2349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24611 7679SOL HW124609 4.340 2.070 5.796 -0.9553 0.2906 -2.3812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24612 7679SOL HW224610 4.186 2.123 5.790 -1.2176 0.3009 1.5834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24613 7680SOL OW24611 5.334 2.965 6.993 0.5062 -0.2896 -0.2973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24614 7680SOL HW124612 5.378 2.881 7.024 -1.2327 -0.9456 0.4778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24615 7680SOL HW224613 5.388 3.044 7.024 1.3488 -1.0674 0.2648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24616 7681SOL OW24614 4.610 2.968 6.809 0.3040 -0.2438 -0.3446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24617 7681SOL HW124615 4.677 2.948 6.880 2.2242 0.4012 -1.8844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24618 7681SOL HW224616 4.560 3.051 6.832 3.0742 1.7820 -1.0633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24619 7682SOL OW24617 4.969 3.008 6.693 -0.0499 -0.1517 0.0317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24620 7682SOL HW124618 4.993 3.051 6.779 -0.9776 0.7652 -0.1468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24621 7682SOL HW224619 4.880 3.042 6.662 -1.0504 -2.4906 0.0814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24622 7683SOL OW24620 5.269 2.861 6.695 -0.4776 -0.0171 -0.5358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24623 7683SOL HW124621 5.179 2.826 6.669 -0.4306 -1.9238 1.6508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24624 7683SOL HW224622 5.260 2.924 6.772 0.0462 -0.1648 -0.3462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24625 7684SOL OW24623 4.754 1.997 7.001 -0.3907 -0.1363 -1.4924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24626 7684SOL HW124624 4.728 1.910 6.960 0.3249 -1.8631 1.4282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24627 7684SOL HW224625 4.849 1.992 7.033 -1.0595 0.7971 0.8736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24628 7685SOL OW24626 4.392 2.720 5.931 0.5394 0.1767 -0.0599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24629 7685SOL HW124627 4.451 2.650 5.891 -0.1405 -1.1711 1.2091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24630 7685SOL HW224628 4.407 2.723 6.030 -1.4909 -0.1955 0.2867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24631 7686SOL OW24629 4.090 2.600 6.982 -0.0505 0.0262 0.2632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24632 7686SOL HW124630 4.166 2.582 7.045 0.0069 1.3630 0.6160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24633 7686SOL HW224631 4.071 2.519 6.928 0.7553 -0.7474 1.1106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24634 7687SOL OW24632 5.007 2.310 6.798 0.3083 -0.1769 -0.5257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24635 7687SOL HW124633 5.015 2.408 6.817 1.9412 -0.4078 0.1270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24636 7687SOL HW224634 4.910 2.284 6.799 -0.1056 1.2681 0.0961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24637 7688SOL OW24635 3.773 3.162 6.891 -0.8706 -0.1991 0.5899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24638 7688SOL HW124636 3.721 3.217 6.826 -0.5173 0.5523 0.9252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24639 7688SOL HW224637 3.869 3.191 6.891 -0.6063 -1.0403 0.5420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24640 7689SOL OW24638 4.130 2.845 6.103 -0.3578 0.2927 -0.0025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24641 7689SOL HW124639 4.036 2.850 6.136 0.1331 -0.9434 1.7285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24642 7689SOL HW224640 4.141 2.764 6.045 -1.0959 2.1938 -3.0096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24643 7690SOL OW24641 4.355 2.132 6.335 -0.5237 0.4487 0.6864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24644 7690SOL HW124642 4.300 2.118 6.252 -0.0186 -1.0608 0.5839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24645 7690SOL HW224643 4.393 2.225 6.334 -1.6471 0.9292 -0.0811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24646 7691SOL OW24644 4.928 3.209 5.958 -0.6669 -0.1371 0.5632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24647 7691SOL HW124645 5.001 3.249 6.014 0.7630 -0.0841 -1.2482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24648 7691SOL HW224646 4.842 3.257 5.977 0.0572 0.7836 1.6967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24649 7692SOL OW24647 5.196 3.337 6.990 -0.1338 -0.2321 0.5044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24650 7692SOL HW124648 5.259 3.316 7.064 1.8811 -0.4657 -1.1968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24651 7692SOL HW224649 5.224 3.421 6.945 -0.6555 -0.6699 -0.6735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24652 7693SOL OW24650 5.260 2.454 5.874 -0.3184 -0.2028 0.0799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24653 7693SOL HW124651 5.187 2.522 5.868 -1.6435 -1.5888 -0.0863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24654 7693SOL HW224652 5.348 2.499 5.858 -1.1730 1.3892 -0.4346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24655 7694SOL OW24653 4.112 3.377 6.859 -0.2330 -0.1316 -0.1642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24656 7694SOL HW124654 4.069 3.328 6.783 0.2106 0.8265 -1.0515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24657 7694SOL HW224655 4.209 3.391 6.840 -0.0542 -0.1214 0.7121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24658 7695SOL OW24656 4.127 2.472 0.018 -0.0391 -0.0861 0.6203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24659 7695SOL HW124657 4.187 2.535 -0.030 -0.4417 0.2802 0.6012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24660 7695SOL HW224658 4.180 2.393 0.050 0.9133 1.2249 2.4774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24661 7696SOL OW24659 5.262 2.655 7.198 -0.1940 -0.1783 -0.0444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24662 7696SOL HW124660 5.245 2.735 7.256 1.3849 -0.6921 1.1933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24663 7696SOL HW224661 5.355 2.659 7.163 -0.6258 -0.6897 -1.2959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24664 7697SOL OW24662 4.429 2.593 6.760 0.1799 -0.5971 0.0750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24665 7697SOL HW124663 4.409 2.683 6.722 -1.3612 -0.3230 1.4194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24666 7697SOL HW224664 4.511 2.598 6.818 0.8401 -0.3808 -0.8480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24667 7698SOL OW24665 5.069 2.699 6.626 -0.1930 -0.2946 0.4645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24668 7698SOL HW124666 4.972 2.679 6.635 -0.9825 1.6128 -2.4406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24669 7698SOL HW224667 5.113 2.630 6.568 -0.3390 0.0219 -0.0330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24670 7699SOL OW24668 4.801 2.232 5.815 -0.3651 -0.5334 -0.1178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24671 7699SOL HW124669 4.827 2.183 5.898 -0.0755 -0.8221 -0.3775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24672 7699SOL HW224670 4.711 2.273 5.828 0.0604 0.2064 0.6779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24673 7700SOL OW24671 3.961 1.920 6.707 -0.4411 -0.4891 -0.2702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24674 7700SOL HW124672 3.944 1.959 6.798 0.0909 0.2063 -0.4616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24675 7700SOL HW224673 3.899 1.843 6.692 -0.7159 -0.4448 0.5781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24676 7701SOL OW24674 3.761 2.904 6.735 -0.2342 -0.5426 -0.1839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24677 7701SOL HW124675 3.856 2.872 6.739 0.9813 2.7076 0.0734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24678 7701SOL HW224676 3.749 2.979 6.800 -1.2442 3.0674 -4.0826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24679 7702SOL OW24677 4.460 2.343 6.601 -0.2114 -0.2021 -0.3308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24680 7702SOL HW124678 4.544 2.308 6.642 -0.2048 1.0592 0.8243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24681 7702SOL HW224679 4.445 2.438 6.631 0.1980 1.1492 -3.9015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24682 7703SOL OW24680 3.881 1.854 6.337 0.1176 -0.3991 -0.4335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24683 7703SOL HW124681 3.909 1.944 6.370 -1.5045 -0.4313 1.1786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24684 7703SOL HW224682 3.923 1.783 6.394 -0.6945 -0.5539 -0.0197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24685 7704SOL OW24683 5.210 2.171 5.802 0.3619 0.2158 -0.2758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24686 7704SOL HW124684 5.275 2.105 5.839 0.5456 -0.7714 -2.2284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24687 7704SOL HW224685 5.241 2.264 5.824 1.7783 -0.2607 -0.1415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24688 7705SOL OW24686 4.794 2.571 6.634 -0.1309 -0.1804 0.0596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24689 7705SOL HW124687 4.739 2.577 6.718 -0.3736 0.8993 -0.1538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24690 7705SOL HW224688 4.777 2.484 6.589 -0.7680 -0.3554 0.6148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24691 7706SOL OW24689 5.489 3.209 7.097 0.2017 0.2090 0.3695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24692 7706SOL HW124690 5.550 3.287 7.083 0.1389 0.3444 0.8219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24693 7706SOL HW224691 5.473 3.197 7.195 -0.6578 0.3002 0.2459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24694 7707SOL OW24692 5.046 1.930 5.685 0.0226 0.0482 -0.1880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24695 7707SOL HW124693 5.042 1.866 5.762 -5.0312 0.5872 0.3390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24696 7707SOL HW224694 5.088 2.015 5.715 -1.0360 -0.0604 1.8176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24697 7708SOL OW24695 4.939 2.619 5.589 -0.6898 0.4528 -0.6330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24698 7708SOL HW124696 4.983 2.546 5.643 0.2622 1.4502 -0.0218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24699 7708SOL HW224697 4.998 2.642 5.512 -1.6462 -0.3630 -1.6426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24700 7709SOL OW24698 4.819 3.061 6.242 0.1180 0.0211 -0.1585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24701 7709SOL HW124699 4.850 2.988 6.302 1.2482 -0.1834 -0.9662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24702 7709SOL HW224700 4.808 3.025 6.149 -0.4592 0.6089 -0.3262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24703 7710SOL OW24701 4.172 2.548 6.670 0.4244 -0.4815 0.4858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24704 7710SOL HW124702 4.258 2.548 6.721 0.2567 -1.1417 0.7827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24705 7710SOL HW224703 4.163 2.461 6.620 -0.7281 -1.0336 1.5964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24706 7711SOL OW24704 4.163 2.300 6.522 0.2928 0.1622 -0.2877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24707 7711SOL HW124705 4.102 2.231 6.483 1.1010 -2.0363 2.0270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24708 7711SOL HW224706 4.258 2.270 6.513 0.6352 0.6748 1.2676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24709 7712SOL OW24707 5.035 2.035 7.107 0.3373 0.1084 -0.1910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24710 7712SOL HW124708 5.048 2.042 7.206 -0.5167 0.9315 -0.1237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24711 7712SOL HW224709 5.118 2.065 7.060 0.1597 1.3689 0.2662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24712 7713SOL OW24710 3.803 2.971 5.779 0.1518 -0.0013 0.0734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24713 7713SOL HW124711 3.717 3.022 5.788 -0.1907 -0.2801 -1.3263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24714 7713SOL HW224712 3.786 2.873 5.794 0.1064 -0.1234 -0.7340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24715 7714SOL OW24713 3.705 3.547 6.529 0.0894 -0.7099 -0.7583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24716 7714SOL HW124714 3.653 3.573 6.447 -0.7870 0.4979 0.1341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24717 7714SOL HW224715 3.802 3.561 6.513 -0.2226 1.9163 -0.8393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24718 7715SOL OW24716 4.230 3.233 6.446 0.1621 -0.5127 -0.0807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24719 7715SOL HW124717 4.328 3.235 6.428 0.5801 4.8736 1.0742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24720 7715SOL HW224718 4.180 3.242 6.360 0.6873 -1.8955 -0.5516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24721 7716SOL OW24719 4.675 2.620 6.892 0.4061 0.1599 0.4464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24722 7716SOL HW124720 4.763 2.667 6.901 -0.5954 1.9411 1.6270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24723 7716SOL HW224721 4.665 2.553 6.965 0.3402 0.7778 1.0194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24724 7717SOL OW24722 3.602 2.376 6.757 0.3818 -0.2332 -0.1089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24725 7717SOL HW124723 3.669 2.381 6.831 -0.6033 0.5283 0.7617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24726 7717SOL HW224724 3.583 2.468 6.723 0.0004 -0.4712 -0.5541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24727 7718SOL OW24725 4.555 2.280 5.918 0.3002 0.1824 0.4280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24728 7718SOL HW124726 4.496 2.265 5.838 0.3781 0.7912 0.2495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24729 7718SOL HW224727 4.509 2.246 6.000 0.4966 -1.0508 0.0486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24730 7719SOL OW24728 5.349 2.439 6.696 -0.1820 0.1277 -0.5962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24731 7719SOL HW124729 5.273 2.374 6.695 -0.0888 0.0241 -1.1453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24732 7719SOL HW224730 5.436 2.389 6.704 -0.1942 0.2801 0.8666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24733 7720SOL OW24731 4.070 3.348 7.131 -0.3482 0.6579 -0.2109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24734 7720SOL HW124732 4.071 3.270 7.194 0.1630 0.6589 -0.2111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24735 7720SOL HW224733 4.072 3.315 7.037 -0.5857 0.6642 -0.2180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24736 7721SOL OW24734 4.330 2.213 6.786 -0.0127 0.2253 -0.3401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24737 7721SOL HW124735 4.315 2.115 6.770 1.8465 -0.2090 0.2336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24738 7721SOL HW224736 4.386 2.250 6.712 -0.9327 0.9279 -0.6912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24739 7722SOL OW24737 4.661 3.377 6.833 -0.2084 -0.2019 0.3603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24740 7722SOL HW124738 4.715 3.311 6.781 -0.0315 -0.7120 1.1655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24741 7722SOL HW224739 4.713 3.462 6.844 -0.4901 0.1263 -0.7900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24742 7723SOL OW24740 4.040 2.276 5.778 -0.4190 0.0649 -0.3530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24743 7723SOL HW124741 4.118 2.336 5.798 -0.1076 -0.1817 -0.7877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24744 7723SOL HW224742 3.957 2.331 5.769 -0.5478 0.2029 1.3743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24745 7724SOL OW24743 3.955 2.831 7.014 -0.2786 -0.4182 -0.0052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24746 7724SOL HW124744 3.866 2.829 7.059 0.0806 -0.1163 0.7450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24747 7724SOL HW224745 4.000 2.743 7.027 -0.5679 -0.6505 -0.5891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24748 7725SOL OW24746 4.926 2.724 6.954 0.2431 0.4280 0.6227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24749 7725SOL HW124747 4.975 2.764 6.877 1.2306 0.3059 1.1733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24750 7725SOL HW224748 4.900 2.795 7.019 2.3546 0.2061 1.8030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24751 7726SOL OW24749 5.208 2.720 6.003 -0.9037 0.2247 -0.1021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24752 7726SOL HW124750 5.241 2.703 6.096 -0.9141 -1.5282 -0.3758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24753 7726SOL HW224751 5.117 2.761 6.007 -0.2016 1.7668 0.6444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24754 7727SOL OW24752 5.286 3.558 6.863 0.5136 -0.4056 0.3157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24755 7727SOL HW124753 5.383 3.581 6.853 0.2751 -0.4816 -3.3395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24756 7727SOL HW224754 5.242 3.556 6.773 -2.4590 -2.4131 1.6438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24757 7728SOL OW24755 4.959 3.391 6.788 0.0195 0.5109 0.1099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24758 7728SOL HW124756 5.059 3.386 6.784 -0.0490 -1.6840 -0.2945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24759 7728SOL HW224757 4.921 3.358 6.702 -1.0942 3.5393 -0.6822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24760 7729SOL OW24758 3.872 3.106 6.579 0.3992 -0.6398 -0.9365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24761 7729SOL HW124759 3.830 3.035 6.635 0.2722 -0.5831 -0.9594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24762 7729SOL HW224760 3.842 3.095 6.484 0.1699 -0.3923 -0.8916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24763 7730SOL OW24761 5.401 2.011 5.923 0.2277 -0.2988 0.1328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24764 7730SOL HW124762 5.393 1.965 5.834 -0.3393 0.9894 -0.5168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24765 7730SOL HW224763 5.405 1.943 5.996 0.9116 -1.3879 -0.8923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24766 7731SOL OW24764 5.116 3.406 6.117 0.0743 0.0855 0.3908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24767 7731SOL HW124765 5.136 3.418 6.020 -0.4105 3.1886 0.5694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24768 7731SOL HW224766 5.066 3.486 6.151 -0.6159 -1.3334 3.0134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24769 7732SOL OW24767 4.959 2.757 6.182 0.1440 -0.2600 -0.4200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24770 7732SOL HW124768 4.974 2.810 6.266 0.0834 -0.0519 -0.5397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24771 7732SOL HW224769 4.961 2.819 6.103 -1.7695 -0.1466 -0.4204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24772 7733SOL OW24770 4.383 3.039 7.018 -0.9890 0.1544 0.1889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24773 7733SOL HW124771 4.445 3.087 7.080 0.1484 0.0905 -0.8670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24774 7733SOL HW224772 4.352 3.102 6.946 -0.4619 -0.3553 -0.4980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24775 7734SOL OW24773 4.177 2.986 5.828 0.8532 -0.2948 -0.0397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24776 7734SOL HW124774 4.120 3.064 5.854 2.9085 1.2088 0.2601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24777 7734SOL HW224775 4.169 2.914 5.897 3.4152 2.1379 3.1935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24778 7735SOL OW24776 5.179 3.730 7.072 0.5272 -0.1728 -0.5003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24779 7735SOL HW124777 5.242 3.698 7.002 1.6636 0.8966 0.0072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24780 7735SOL HW224778 5.190 3.828 7.086 0.5640 -0.4029 1.3758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24781 7736SOL OW24779 5.451 2.151 6.476 0.2479 0.5368 -0.1205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24782 7736SOL HW124780 5.435 2.054 6.490 -0.9709 1.0235 2.4892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24783 7736SOL HW224781 5.385 2.186 6.409 1.2705 -0.5420 -1.7500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24784 7737SOL OW24782 3.979 2.159 6.213 0.3862 0.4008 0.5636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24785 7737SOL HW124783 3.901 2.200 6.166 0.5585 0.5823 0.4350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24786 7737SOL HW224784 3.959 2.151 6.311 -1.0666 -2.4384 0.1424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24787 7738SOL OW24785 4.762 3.313 5.622 -0.7161 0.5289 0.3509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24788 7738SOL HW124786 4.808 3.230 5.653 -0.9377 0.9940 2.0737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24789 7738SOL HW224787 4.678 3.326 5.675 -0.9704 1.5574 -0.2745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24790 7739SOL OW24788 4.482 2.777 7.059 0.1721 0.1297 0.6558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24791 7739SOL HW124789 4.539 2.794 6.979 -0.2064 0.3533 0.4328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24792 7739SOL HW224790 4.440 2.863 7.090 -0.0687 -0.0369 0.7991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24793 7740SOL OW24791 4.912 2.905 5.629 -0.4232 -0.0283 -0.6016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24794 7740SOL HW124792 4.827 2.909 5.576 -0.0156 1.0281 -1.1909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24795 7740SOL HW224793 4.929 2.810 5.657 -0.7042 -0.6033 -2.2599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24796 7741SOL OW24794 5.108 3.368 5.588 -0.1386 -0.0489 -0.1070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24797 7741SOL HW124795 5.096 3.285 5.642 0.2639 0.3795 0.6531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24798 7741SOL HW224796 5.130 3.343 5.493 -2.8015 -0.8185 -0.5937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24799 7742SOL OW24797 4.092 3.047 7.140 -0.0063 -0.2359 0.7187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24800 7742SOL HW124798 4.176 3.037 7.087 -0.5591 -1.0682 -0.0188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24801 7742SOL HW224799 4.020 2.991 7.100 -1.3549 1.6020 0.4452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24802 7743SOL OW24800 5.057 3.041 6.973 -0.0683 0.6618 -0.3698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24803 7743SOL HW124801 5.141 2.990 6.987 -0.7126 -0.4259 -0.3228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24804 7743SOL HW224802 5.077 3.139 6.966 1.1197 0.4794 0.2768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24805 7744SOL OW24803 4.892 2.874 6.426 -0.1581 0.1723 0.3829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24806 7744SOL HW124804 4.806 2.830 6.448 0.8187 -2.1791 -0.2141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24807 7744SOL HW224805 4.942 2.894 6.511 -0.9485 0.8818 0.6921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24808 7745SOL OW24806 4.615 2.078 6.655 -0.4007 -0.4687 -0.0938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24809 7745SOL HW124807 4.581 2.051 6.565 -1.7378 -1.1359 0.5769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24810 7745SOL HW224808 4.595 2.006 6.722 1.3340 -0.3590 0.5935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24811 7746SOL OW24809 4.122 3.221 6.181 0.4029 -0.0906 -0.3234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24812 7746SOL HW124810 4.058 3.166 6.128 0.0233 -0.0895 0.1324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24813 7746SOL HW224811 4.123 3.314 6.144 -2.3950 0.8582 1.6907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24814 7747SOL OW24812 5.388 2.349 7.078 0.2042 -0.1068 0.3953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24815 7747SOL HW124813 5.419 2.347 7.173 0.1880 1.2409 0.4599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24816 7747SOL HW224814 5.465 2.373 7.018 -0.1486 0.7807 0.2799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24817 7748SOL OW24815 3.806 3.257 6.091 -0.2225 0.3685 -0.4295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24818 7748SOL HW124816 3.858 3.332 6.134 -0.4542 0.0311 0.4629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24819 7748SOL HW224817 3.722 3.293 6.051 0.3289 0.8005 -1.2222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24820 7749SOL OW24818 3.703 2.749 7.172 -0.0790 0.2362 -0.1760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24821 7749SOL HW124819 3.607 2.724 7.180 -0.1415 -0.1602 -1.8101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24822 7749SOL HW224820 3.737 2.779 7.261 -2.1688 2.0636 0.1007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24823 7750SOL OW24821 4.506 2.088 7.118 -0.4521 -0.0489 -0.1242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24824 7750SOL HW124822 4.602 2.068 7.101 -0.0719 2.4659 -1.4496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24825 7750SOL HW224823 4.488 2.086 7.216 1.4931 1.4772 0.3182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24826 7751SOL OW24824 3.739 2.029 5.952 -0.2283 0.2083 -0.0802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24827 7751SOL HW124825 3.783 1.942 5.929 -0.9662 -0.2549 0.2423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24828 7751SOL HW224826 3.716 2.078 5.868 1.0905 0.5736 -0.2645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24829 7752SOL OW24827 5.066 2.516 7.079 0.1081 -0.0277 -0.9120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24830 7752SOL HW124828 5.032 2.595 7.029 -1.1735 -0.7984 -1.3075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24831 7752SOL HW224829 5.154 2.538 7.121 0.0591 1.3973 -1.5116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24832 7753SOL OW24830 3.758 1.790 6.106 -0.2924 -0.0684 0.7697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24833 7753SOL HW124831 3.791 1.802 6.199 -1.6603 2.0814 1.0496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24834 7753SOL HW224832 3.834 1.794 6.042 0.4906 0.0206 1.6923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24835 7754SOL OW24833 5.053 3.118 5.706 0.2058 -0.3637 0.0897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24836 7754SOL HW124834 4.996 3.047 5.666 -0.7558 0.3806 0.0819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24837 7754SOL HW224835 5.021 3.138 5.799 -0.1326 0.6740 -0.2326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24838 7755SOL OW24836 4.320 2.582 7.130 -0.3801 0.0954 -0.2900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24839 7755SOL HW124837 4.387 2.654 7.112 -0.2437 0.1257 0.3168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24840 7755SOL HW224838 4.359 2.494 7.106 -0.3727 0.1757 -0.5810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24841 7756SOL OW24839 5.157 3.572 6.632 -0.1673 -0.1680 0.4649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24842 7756SOL HW124840 5.160 3.641 6.559 -0.7033 -0.0090 0.5914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24843 7756SOL HW224841 5.200 3.488 6.600 1.5188 0.5626 0.6739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24844 7757SOL OW24842 4.308 2.325 0.186 -0.0490 0.5063 0.4946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24845 7757SOL HW124843 4.397 2.366 0.208 0.2920 -0.8559 1.7898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24846 7757SOL HW224844 4.315 2.226 0.191 -1.2677 0.3207 -0.9885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24847 7758SOL OW24845 3.969 3.618 7.100 0.2792 0.5510 -0.0973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24848 7758SOL HW124846 4.010 3.530 7.075 -0.2871 -0.0448 1.0308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24849 7758SOL HW224847 3.938 3.615 7.194 -0.6564 1.6365 -0.3522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24850 7759SOL OW24848 5.448 2.668 6.803 -0.1732 -0.0907 -0.2758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24851 7759SOL HW124849 5.416 2.582 6.762 0.2780 -0.4199 0.0524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24852 7759SOL HW224850 5.380 2.740 6.786 -0.5463 -0.5046 -0.5736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24853 7760SOL OW24851 4.853 2.120 6.065 -0.3300 0.5264 0.1018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24854 7760SOL HW124852 4.943 2.076 6.074 -0.4582 0.3877 0.7954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24855 7760SOL HW224853 4.832 2.169 6.149 0.3144 2.9408 -1.0399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24856 7761SOL OW24854 4.494 2.403 6.274 0.4297 -0.3458 -0.2030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24857 7761SOL HW124855 4.479 2.497 6.306 -1.9154 -1.1133 1.1768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24858 7761SOL HW224856 4.424 2.378 6.207 2.5493 -0.3418 -2.5700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24859 7762SOL OW24857 5.484 2.721 7.087 0.4960 0.0481 -0.4119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24860 7762SOL HW124858 5.570 2.725 7.138 0.1796 2.0714 0.0596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24861 7762SOL HW224859 5.500 2.684 6.996 2.0872 1.3435 -0.7060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24862 7763SOL OW24860 4.496 3.026 5.771 -0.5079 0.0009 0.4371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24863 7763SOL HW124861 4.567 2.955 5.777 0.4368 0.7142 -1.4021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24864 7763SOL HW224862 4.408 2.988 5.800 0.4739 -1.1003 2.1502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24865 7764SOL OW24863 4.354 3.546 6.397 -0.4598 -0.4269 0.1589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24866 7764SOL HW124864 4.279 3.508 6.452 -1.4700 -0.9484 -1.5009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24867 7764SOL HW224865 4.316 3.608 6.329 0.7138 -0.1533 -0.2597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24868 7765SOL OW24866 4.651 2.766 6.489 0.0341 -0.3263 0.7196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24869 7765SOL HW124867 4.710 2.696 6.531 -0.3784 -0.7830 0.5426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24870 7765SOL HW224868 4.569 2.778 6.545 -1.2853 -2.0636 -0.7097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24871 7766SOL OW24869 4.658 2.569 5.593 0.2480 -0.3041 -0.6691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24872 7766SOL HW124870 4.634 2.565 5.690 0.1778 0.2463 -0.6572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24873 7766SOL HW224871 4.758 2.566 5.584 0.2299 -1.3697 -0.6471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24874 7767SOL OW24872 5.364 3.533 6.162 0.6819 -0.5725 0.3563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24875 7767SOL HW124873 5.384 3.541 6.064 0.7813 0.1065 0.4233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24876 7767SOL HW224874 5.281 3.478 6.175 -0.1924 0.5651 -0.1998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24877 7768SOL OW24875 3.835 3.062 6.324 0.2066 0.4379 0.1887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24878 7768SOL HW124876 3.862 2.975 6.282 -0.1900 -0.3560 1.5359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24879 7768SOL HW224877 3.822 3.130 6.252 1.8332 -0.2325 -0.8090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24880 7769SOL OW24878 4.518 3.283 7.055 -0.3645 0.6179 0.4008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24881 7769SOL HW124879 4.452 3.350 7.090 -1.3610 0.0286 -0.2820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24882 7769SOL HW224880 4.568 3.323 6.978 -1.3001 0.4372 -0.3201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24883 7770SOL OW24881 5.362 1.972 6.825 0.1583 0.1742 -0.1114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24884 7770SOL HW124882 5.334 2.018 6.909 -0.1843 -1.0100 0.4426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24885 7770SOL HW224883 5.458 1.992 6.806 -0.6530 3.4443 -1.4710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24886 7771SOL OW24884 4.216 2.087 6.077 -0.3138 0.0779 -0.0108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24887 7771SOL HW124885 4.208 2.059 5.982 -0.7885 0.8117 -0.1868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24888 7771SOL HW224886 4.126 2.097 6.118 -0.1657 1.2427 0.0746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24889 7772SOL OW24887 5.302 3.396 6.517 0.0526 0.2407 -0.0822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24890 7772SOL HW124888 5.242 3.322 6.487 -1.2365 1.5780 -0.9419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24891 7772SOL HW224889 5.397 3.364 6.519 -0.2482 -0.9377 -2.1186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24892 7773SOL OW24890 4.024 2.354 6.863 -0.4013 0.3148 -0.1085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24893 7773SOL HW124891 4.082 2.280 6.896 -0.7020 0.4131 0.6486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24894 7773SOL HW224892 4.044 2.370 6.766 0.5642 0.0919 0.0363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24895 7774SOL OW24893 4.534 3.412 6.250 -0.0343 -0.3448 -0.0845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24896 7774SOL HW124894 4.459 3.451 6.304 1.1044 -0.0767 1.3432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24897 7774SOL HW224895 4.557 3.321 6.286 0.6130 -0.2445 -0.2445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24898 7775SOL OW24896 5.237 2.194 6.692 -0.0324 -0.3981 0.1299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24899 7775SOL HW124897 5.285 2.118 6.737 0.6265 0.6244 1.2101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24900 7775SOL HW224898 5.160 2.222 6.749 -0.1838 -0.1638 -0.1922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24901 7776SOL OW24899 4.712 1.798 6.801 -0.0843 0.8862 -0.2722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24902 7776SOL HW124900 4.671 1.711 6.774 1.6494 -0.6690 1.7604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24903 7776SOL HW224901 4.791 1.818 6.743 0.8142 -0.0467 0.5922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24904 7777SOL OW24902 4.715 2.847 5.848 -0.1783 -0.1878 -0.0142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24905 7777SOL HW124903 4.721 2.817 5.753 -1.0557 0.0960 -0.1729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24906 7777SOL HW224904 4.676 2.773 5.903 0.3043 -0.3421 0.1248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24907 7778SOL OW24905 4.392 3.397 6.744 0.0113 -0.0101 0.4056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24908 7778SOL HW124906 4.481 3.396 6.791 -0.3031 1.5280 1.0886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24909 7778SOL HW224907 4.388 3.475 6.682 -1.1184 0.3324 0.8920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24910 7779SOL OW24908 5.031 1.726 5.863 -0.0518 -0.1453 0.4968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24911 7779SOL HW124909 5.080 1.650 5.820 -0.5704 -1.5499 2.2309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24912 7779SOL HW224910 4.933 1.706 5.864 -0.1412 0.2713 1.4738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24913 7780SOL OW24911 4.984 2.484 6.195 -0.3807 -0.8486 0.1101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24914 7780SOL HW124912 4.994 2.583 6.200 2.3348 -1.0830 1.5866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24915 7780SOL HW224913 4.898 2.456 6.236 -1.1249 0.8693 -0.2291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24916 7781SOL OW24914 5.209 2.197 6.334 0.3309 0.5541 -0.9597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24917 7781SOL HW124915 5.156 2.243 6.406 2.5360 0.7256 0.6608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24918 7781SOL HW224916 5.205 2.252 6.250 -1.9255 0.5793 -0.9124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24919 7782SOL OW24917 3.755 2.710 5.997 -0.3141 -0.2560 -0.2587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24920 7782SOL HW124918 3.765 2.721 6.096 1.0865 0.5576 -0.4655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24921 7782SOL HW224919 3.769 2.614 5.973 1.2487 -0.1604 0.1552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24922 7783SOL OW24920 4.547 3.437 5.769 -0.5094 0.4881 -0.6309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24923 7783SOL HW124921 4.484 3.387 5.709 -0.0660 1.4597 -1.9362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24924 7783SOL HW224922 4.512 3.529 5.785 -0.3004 0.4461 0.1081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24925 7784SOL OW24923 3.898 4.232 0.121 0.0256 -0.1755 -0.1638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24926 7784SOL HW124924 3.808 4.189 0.119 -1.0829 2.0198 -0.0365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24927 7784SOL HW224925 3.921 4.266 0.030 0.9918 -1.1536 -0.3150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24928 7785SOL OW24926 3.981 3.867 1.016 -0.3687 -0.0601 -0.1871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24929 7785SOL HW124927 4.025 3.844 1.103 -0.5159 -1.7412 -0.5252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24930 7785SOL HW224928 3.882 3.858 1.026 -0.4137 0.1628 -0.4166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24931 7786SOL OW24929 3.584 4.107 0.598 -0.0870 0.1378 -0.0037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24932 7786SOL HW124930 3.528 4.064 0.668 0.7517 0.9269 1.1734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24933 7786SOL HW224931 3.591 4.045 0.519 -0.5397 -1.0186 0.8365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24934 7787SOL OW24932 4.256 5.077 0.944 0.4092 -0.5306 -0.1868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24935 7787SOL HW124933 4.288 5.052 0.853 -0.6865 -0.6933 -0.5351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24936 7787SOL HW224934 4.162 5.046 0.957 -0.1502 1.2132 0.2678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24937 7788SOL OW24935 5.308 5.325 0.714 -0.1865 -0.3958 -0.3564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24938 7788SOL HW124936 5.321 5.247 0.775 -0.3187 -0.1580 -0.0235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24939 7788SOL HW224937 5.300 5.292 0.620 2.2405 -0.6468 -0.5581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24940 7789SOL OW24938 4.798 4.295 0.521 -0.1510 0.1033 0.3379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24941 7789SOL HW124939 4.845 4.363 0.578 -2.3521 0.6184 1.6456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24942 7789SOL HW224940 4.726 4.251 0.574 0.7345 -2.8196 -0.7037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24943 7790SOL OW24941 5.443 4.004 0.109 -0.4984 -0.2450 0.2441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24944 7790SOL HW124942 5.511 4.029 0.178 -0.9098 0.1644 0.5084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24945 7790SOL HW224943 5.351 4.019 0.146 -0.7345 -0.6749 -0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24946 7791SOL OW24944 4.383 4.796 0.988 -0.2602 0.1116 0.2003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24947 7791SOL HW124945 4.336 4.882 1.006 -2.4376 -1.0944 0.6995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24948 7791SOL HW224946 4.410 4.791 0.892 -1.3575 0.8030 -0.1623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24949 7792SOL OW24947 4.528 4.327 1.958 -0.3135 0.0802 0.1075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24950 7792SOL HW124948 4.586 4.394 1.912 -0.4390 -0.3683 -0.7246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24951 7792SOL HW224949 4.435 4.335 1.923 -0.8773 1.0499 1.6949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24952 7793SOL OW24950 4.585 4.611 0.600 0.3242 -0.4818 0.2421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24953 7793SOL HW124951 4.610 4.582 0.693 -0.0336 -1.4213 0.0558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24954 7793SOL HW224952 4.545 4.534 0.551 -1.3582 0.5397 -0.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24955 7794SOL OW24953 4.338 4.778 1.368 0.0839 0.2598 0.3529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24956 7794SOL HW124954 4.303 4.870 1.349 -1.2934 -0.7148 -2.4349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24957 7794SOL HW224955 4.262 4.713 1.369 1.1652 -1.0487 0.9675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24958 7795SOL OW24956 3.849 5.186 0.910 0.2641 0.3317 0.4210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24959 7795SOL HW124957 3.838 5.087 0.913 -1.8663 0.4962 -0.5766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24960 7795SOL HW224958 3.847 5.217 0.815 0.8765 1.3539 0.7224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24961 7796SOL OW24959 5.115 5.218 1.300 0.0624 -0.0332 -0.3023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24962 7796SOL HW124960 5.185 5.285 1.327 0.1362 -0.1094 -0.3034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24963 7796SOL HW224961 5.094 5.158 1.377 -0.5315 0.4505 -0.0809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24964 7797SOL OW24962 4.313 4.039 1.425 0.2064 -0.9573 -0.0025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24965 7797SOL HW124963 4.374 3.965 1.398 1.1809 0.1435 -0.9648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24966 7797SOL HW224964 4.239 4.003 1.481 0.9570 -2.5543 0.0167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24967 7798SOL OW24965 5.231 3.997 0.606 -0.1657 0.0745 0.1095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24968 7798SOL HW124966 5.236 3.977 0.704 -1.0349 -0.7009 0.0000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24969 7798SOL HW224967 5.136 3.997 0.576 0.0853 0.3855 -0.7250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24970 7799SOL OW24968 3.992 5.181 0.452 -0.0746 -0.5268 0.4469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24971 7799SOL HW124969 3.966 5.168 0.357 -0.3840 -1.2740 0.6295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24972 7799SOL HW224970 4.068 5.246 0.457 0.0153 -0.5689 -0.3111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24973 7800SOL OW24971 4.639 4.879 1.741 -0.2792 -0.1518 -0.2090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24974 7800SOL HW124972 4.679 4.892 1.650 -0.4875 2.2851 -0.0211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24975 7800SOL HW224973 4.711 4.851 1.805 0.4361 0.6684 -0.6230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24976 7801SOL OW24974 3.658 5.118 0.227 -0.3583 0.3007 -0.1955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24977 7801SOL HW124975 3.590 5.186 0.252 0.8529 1.5722 -0.2310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24978 7801SOL HW224976 3.664 5.049 0.299 -0.4852 1.1173 0.6138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24979 7802SOL OW24977 4.031 4.876 0.911 -0.3875 0.1174 0.0683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24980 7802SOL HW124978 4.036 4.815 0.990 -2.0077 -1.7670 -1.1789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24981 7802SOL HW224979 3.950 4.935 0.920 -0.3191 0.2208 0.0094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24982 7803SOL OW24980 4.180 5.491 1.420 -0.5402 -0.0816 -0.3138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24983 7803SOL HW124981 4.150 5.457 1.509 -0.2887 -2.1986 -0.9836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24984 7803SOL HW224982 4.244 5.567 1.433 -2.0811 1.0553 1.2239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24985 7804SOL OW24983 4.402 4.801 0.398 -0.3850 0.2228 -0.2698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24986 7804SOL HW124984 4.480 4.783 0.337 -0.1601 -0.2435 0.1447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24987 7804SOL HW224985 4.328 4.844 0.346 0.4018 1.3098 -0.5195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24988 7805SOL OW24986 5.083 3.921 1.407 -0.1986 0.2081 -0.4162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24989 7805SOL HW124987 5.016 3.941 1.336 1.0774 -3.0465 -2.7640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24990 7805SOL HW224988 5.169 3.968 1.386 0.3943 -1.2922 -1.5448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24991 7806SOL OW24989 3.732 4.190 0.809 -0.1632 -0.6348 -0.3090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24992 7806SOL HW124990 3.670 4.163 0.736 0.5363 -0.5993 -0.9256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24993 7806SOL HW224991 3.780 4.274 0.783 -0.7300 0.0153 0.6721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24994 7807SOL OW24992 5.608 5.291 0.058 0.5340 -0.2520 0.1817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24995 7807SOL HW124993 5.645 5.333 0.141 -1.5470 -0.4504 1.3054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24996 7807SOL HW224994 5.576 5.363 -0.004 0.7133 -0.1170 0.2519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24997 7808SOL OW24995 3.804 4.902 0.037 -0.5150 0.6046 -0.1324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24998 7808SOL HW124996 3.707 4.882 0.023 -0.3950 -0.8357 0.9016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
24999 7808SOL HW224997 3.839 4.953 -0.042 -1.3685 -1.5546 -2.0192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25000 7809SOL OW24998 5.452 4.633 0.605 0.0507 0.5176 0.0384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25001 7809SOL HW124999 5.483 4.591 0.520 0.2187 -0.9414 0.8014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25002 7809SOL HW225000 5.437 4.731 0.589 0.3239 0.3301 -1.5916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25003 7810SOL OW25001 5.354 4.765 0.310 -0.3412 0.1019 0.4662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25004 7810SOL HW125002 5.271 4.710 0.300 -0.3498 0.1407 0.3236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25005 7810SOL HW225003 5.434 4.705 0.299 -0.3506 0.2139 -0.2195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25006 7811SOL OW25004 3.874 4.388 1.584 -0.4481 -0.3030 0.2763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25007 7811SOL HW125005 3.924 4.438 1.655 -0.6309 0.5097 -0.1512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25008 7811SOL HW225006 3.794 4.441 1.557 -0.9485 -1.0981 0.1963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25009 7812SOL OW25007 4.274 5.076 0.678 0.3221 -0.0881 -0.8779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25010 7812SOL HW125008 4.218 5.001 0.641 0.2527 -0.3438 -0.2749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25011 7812SOL HW225009 4.371 5.054 0.668 0.3020 -0.2355 -0.7541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25012 7813SOL OW25010 4.768 4.928 1.517 -0.1850 -0.1804 0.4000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25013 7813SOL HW125011 4.733 4.853 1.460 -0.1393 -0.3669 0.6167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25014 7813SOL HW225012 4.833 4.982 1.464 -1.2173 0.5108 -0.1982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25015 7814SOL OW25013 4.467 3.672 0.447 -0.1124 0.0713 0.5561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25016 7814SOL HW125014 4.522 3.754 0.431 0.1662 0.0348 1.2938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25017 7814SOL HW225015 4.378 3.699 0.483 -1.4461 0.2840 -2.5886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25018 7815SOL OW25016 4.114 4.615 1.312 0.3456 0.2095 0.4250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25019 7815SOL HW125017 4.154 4.545 1.254 0.4588 0.6787 -0.0709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25020 7815SOL HW225018 4.049 4.670 1.260 -1.8292 -1.2138 1.4817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25021 7816SOL OW25019 5.127 4.601 0.341 -0.3069 -0.6703 0.0968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25022 7816SOL HW125020 5.142 4.505 0.316 -0.7243 -1.2630 1.9780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25023 7816SOL HW225021 5.046 4.635 0.294 -1.6418 -2.0469 1.2794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25024 7817SOL OW25022 4.932 5.549 1.561 0.2143 -0.3183 -0.4120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25025 7817SOL HW125023 4.868 5.621 1.534 0.5783 -0.1274 -0.7703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25026 7817SOL HW225024 4.901 5.461 1.523 0.3772 -0.1589 -0.9175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25027 7818SOL OW25025 4.094 3.933 1.569 -0.0189 -0.1796 -0.1082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25028 7818SOL HW125026 4.013 3.874 1.572 -0.0183 -0.4778 -3.0400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25029 7818SOL HW225027 4.083 4.008 1.634 -2.1150 -0.8634 0.4067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25030 7819SOL OW25028 5.266 5.078 0.858 -0.1034 0.8357 -0.0239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25031 7819SOL HW125029 5.220 5.072 0.947 1.6313 -1.1056 0.8224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25032 7819SOL HW225030 5.247 4.996 0.805 1.7040 0.3382 0.0371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25033 7820SOL OW25031 5.332 5.692 0.431 -0.4314 0.4483 0.0542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25034 7820SOL HW125032 5.413 5.675 0.374 -0.8003 0.7920 -0.5813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25035 7820SOL HW225033 5.282 5.607 0.444 -0.0473 0.2635 0.3214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25036 7821SOL OW25034 4.263 4.569 0.454 0.3387 -0.1861 0.2433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25037 7821SOL HW125035 4.317 4.651 0.434 -0.0674 -0.0500 -0.2915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25038 7821SOL HW225036 4.320 4.505 0.506 1.1134 -0.1589 -0.5435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25039 7822SOL OW25037 5.080 4.094 0.837 0.5819 0.5444 0.3782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25040 7822SOL HW125038 5.016 4.163 0.870 -0.6165 0.4168 -1.5351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25041 7822SOL HW225039 5.063 4.007 0.882 -1.2784 0.2633 -0.7890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25042 7823SOL OW25040 5.356 5.399 0.173 -0.6952 -0.5779 -0.7001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25043 7823SOL HW125041 5.416 5.342 0.117 0.9255 1.3011 -0.9739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25044 7823SOL HW225042 5.309 5.465 0.114 -0.5217 0.0998 -0.0812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25045 7824SOL OW25043 4.464 4.234 1.529 0.4652 -0.2217 -0.2737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25046 7824SOL HW125044 4.539 4.198 1.584 -0.5556 -0.3509 1.0740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25047 7824SOL HW225045 4.418 4.160 1.481 -0.7916 -0.5941 1.4394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25048 7825SOL OW25046 4.935 4.146 1.624 0.0887 -0.4413 -0.3190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25049 7825SOL HW125047 4.968 4.209 1.694 -0.8696 0.0045 -0.2423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25050 7825SOL HW225048 4.933 4.053 1.660 -1.6306 -0.0533 0.7389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25051 7826SOL OW25049 4.716 4.672 1.400 -0.4784 -0.2963 -0.5177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25052 7826SOL HW125050 4.727 4.573 1.402 -0.6904 -0.3211 0.8530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25053 7826SOL HW225051 4.653 4.698 1.328 -0.8916 -1.2177 -0.4984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25054 7827SOL OW25052 4.724 4.036 1.018 -0.0744 -0.1784 0.1351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25055 7827SOL HW125053 4.724 3.960 0.954 -0.8521 0.1440 -0.2563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25056 7827SOL HW225054 4.631 4.051 1.052 0.2366 -0.0192 0.9544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25057 7828SOL OW25055 4.686 4.439 0.307 0.3534 -0.3961 -0.1240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25058 7828SOL HW125056 4.733 4.412 0.391 1.5041 -0.3873 -0.7354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25059 7828SOL HW225057 4.623 4.367 0.280 0.6542 -0.8117 0.2611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25060 7829SOL OW25058 3.905 4.373 0.708 0.0341 0.1133 -0.0939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25061 7829SOL HW125059 3.972 4.353 0.780 -1.2472 0.7867 1.3405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25062 7829SOL HW225060 3.950 4.425 0.635 1.5982 -1.4445 -0.3046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25063 7830SOL OW25061 3.815 5.495 1.579 0.1316 0.3863 -0.5514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25064 7830SOL HW125062 3.835 5.544 1.663 1.2440 0.1868 -0.6909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25065 7830SOL HW225063 3.726 5.449 1.588 0.3207 0.2054 0.5812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25066 7831SOL OW25064 4.788 3.973 0.100 -0.5348 -0.1507 0.5563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25067 7831SOL HW125065 4.768 4.046 0.036 1.3836 -1.3787 -1.6076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25068 7831SOL HW225066 4.848 4.007 0.172 2.1298 0.0800 -1.6069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25069 7832SOL OW25067 5.267 4.254 1.805 0.2785 0.1945 -0.6975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25070 7832SOL HW125068 5.268 4.337 1.749 0.8897 0.1983 -0.6875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25071 7832SOL HW225069 5.312 4.180 1.755 1.4066 0.3681 0.0361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25072 7833SOL OW25070 5.415 4.901 0.539 -0.1768 -0.2789 -0.2843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25073 7833SOL HW125071 5.375 4.859 0.458 -0.0402 -1.2890 0.1550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25074 7833SOL HW225072 5.505 4.938 0.517 0.0114 -0.8651 -0.5207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25075 7834SOL OW25073 4.219 3.730 0.871 -0.1594 -0.0103 0.3848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25076 7834SOL HW125074 4.203 3.767 0.963 -1.6893 2.3589 -0.7310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25077 7834SOL HW225075 4.251 3.803 0.811 -1.2852 -0.9634 -1.4817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25078 7835SOL OW25076 4.832 5.313 0.401 -0.0585 1.1675 -0.0098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25079 7835SOL HW125077 4.747 5.356 0.368 -0.9268 0.4947 1.2379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25080 7835SOL HW225078 4.853 5.348 0.492 -0.4976 -0.5895 0.8221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25081 7836SOL OW25079 4.005 5.561 0.824 0.0129 0.1010 0.1947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25082 7836SOL HW125080 4.061 5.482 0.799 0.1944 0.0727 0.6850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25083 7836SOL HW225081 4.006 5.627 0.749 -0.5319 -0.5732 -0.4161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25084 7837SOL OW25082 5.568 4.787 0.900 -0.1492 -0.1010 0.3776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25085 7837SOL HW125083 5.609 4.721 0.837 -0.5634 -1.1736 1.2009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25086 7837SOL HW225084 5.480 4.752 0.932 -1.0396 1.4922 -0.2297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25087 7838SOL OW25085 5.057 5.098 1.533 0.1270 -0.3944 -0.4519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25088 7838SOL HW125086 5.152 5.105 1.562 -0.0458 -0.3533 0.1017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25089 7838SOL HW225087 4.999 5.157 1.590 -0.4515 -1.5571 0.1845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25090 7839SOL OW25088 4.002 4.494 0.480 -0.0881 -0.0015 -0.9766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25091 7839SOL HW125089 4.097 4.524 0.482 0.2712 -1.1246 0.2727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25092 7839SOL HW225090 3.996 4.403 0.439 -0.3732 -0.6433 0.4286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25093 7840SOL OW25091 5.247 4.443 0.623 0.6929 -0.5616 -0.2753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25094 7840SOL HW125092 5.251 4.406 0.715 -1.2042 -0.0229 0.0623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25095 7840SOL HW225093 5.302 4.527 0.618 0.6129 -0.4665 0.4285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25096 7841SOL OW25094 4.229 4.847 1.721 0.2886 -0.4799 0.1191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25097 7841SOL HW125095 4.202 4.817 1.629 -0.8457 0.0723 0.2553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25098 7841SOL HW225096 4.152 4.838 1.783 0.1623 1.7945 0.3819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25099 7842SOL OW25097 4.755 5.435 0.117 0.2570 0.3824 0.2192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25100 7842SOL HW125098 4.703 5.435 0.202 0.3917 0.3107 0.3017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25101 7842SOL HW225099 4.829 5.368 0.122 0.2376 0.3455 0.0284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25102 7843SOL OW25100 3.904 3.697 1.569 0.2161 0.0423 -0.7063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25103 7843SOL HW125101 3.898 3.630 1.494 0.7444 0.5617 -1.2239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25104 7843SOL HW225102 3.830 3.681 1.634 1.4111 -2.2499 0.1828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25105 7844SOL OW25103 5.298 4.841 0.026 -0.3905 0.2816 -0.9118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25106 7844SOL HW125104 5.318 4.828 0.123 1.3507 -0.4514 -1.3282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25107 7844SOL HW225105 5.199 4.842 0.012 -0.6789 -1.4213 0.6400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25108 7845SOL OW25106 4.184 5.375 0.488 -0.3178 -0.1346 -0.2749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25109 7845SOL HW125107 4.202 5.365 0.586 -2.2674 1.1367 0.2771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25110 7845SOL HW225108 4.162 5.471 0.468 -0.7345 -0.5274 -1.8122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25111 7846SOL OW25109 5.195 3.742 0.259 -0.1327 -0.0830 0.2296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25112 7846SOL HW125110 5.182 3.685 0.178 -2.0711 -1.4476 1.4124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25113 7846SOL HW225111 5.277 3.712 0.308 -0.5878 -1.2218 0.3133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25114 7847SOL OW25112 4.106 5.627 1.067 -0.1116 -0.2358 0.0329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25115 7847SOL HW125113 4.102 5.531 1.096 2.9340 -0.2762 0.5584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25116 7847SOL HW225114 4.079 5.634 0.971 -0.9827 -1.4968 0.1581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25117 7848SOL OW25115 4.627 5.386 0.865 0.3119 -0.1132 -0.1583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25118 7848SOL HW125116 4.593 5.302 0.907 0.0461 -0.0209 -0.1888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25119 7848SOL HW225117 4.569 5.410 0.787 1.7902 -1.2594 -1.7115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25120 7849SOL OW25118 4.315 4.217 0.681 0.4817 0.0392 -0.3197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25121 7849SOL HW125119 4.308 4.119 0.660 0.5337 -0.3899 1.5236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25122 7849SOL HW225120 4.233 4.245 0.731 0.1707 1.1196 -1.3816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25123 7850SOL OW25121 5.107 3.897 1.674 0.8751 0.2653 0.1721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25124 7850SOL HW125122 5.075 3.809 1.709 -1.1846 1.3824 1.2710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25125 7850SOL HW225123 5.101 3.896 1.574 -2.9398 0.3813 0.2604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25126 7851SOL OW25124 4.252 3.679 0.121 -0.0050 0.2607 0.9769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25127 7851SOL HW125125 4.253 3.598 0.062 -0.7086 1.7340 -1.1540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25128 7851SOL HW225126 4.211 3.655 0.209 -1.9463 -1.3076 -0.2622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25129 7852SOL OW25127 4.629 3.571 1.811 0.1077 0.2821 0.7785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25130 7852SOL HW125128 4.689 3.593 1.734 -1.5819 1.1985 -0.3693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25131 7852SOL HW225129 4.631 3.647 1.877 -0.7189 0.9330 0.0907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25132 7853SOL OW25130 4.504 5.199 1.006 -0.5864 0.0667 -0.0284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25133 7853SOL HW125131 4.421 5.144 1.012 0.2197 -1.0731 1.1853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25134 7853SOL HW225132 4.577 5.156 1.059 1.0113 0.6786 -1.6255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25135 7854SOL OW25133 4.980 4.251 1.382 0.1618 0.2168 -0.2025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25136 7854SOL HW125134 4.972 4.224 1.478 0.1321 -0.4909 -0.3991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25137 7854SOL HW225135 5.038 4.332 1.375 1.1840 -0.4407 0.3188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25138 7855SOL OW25136 4.434 4.811 0.719 0.6255 0.3259 -0.3785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25139 7855SOL HW125137 4.489 4.745 0.668 1.1346 1.3361 -1.1689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25140 7855SOL HW225138 4.341 4.810 0.685 0.6780 0.1578 -0.5194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25141 7856SOL OW25139 4.600 4.209 0.726 -0.3299 0.2451 0.2158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25142 7856SOL HW125140 4.519 4.253 0.763 -1.1672 -1.4132 0.4466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25143 7856SOL HW225141 4.619 4.126 0.778 1.2288 0.3210 -0.1665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25144 7857SOL OW25142 4.230 3.633 0.577 -0.0229 -0.7008 0.3147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25145 7857SOL HW125143 4.142 3.667 0.610 0.8046 1.3234 0.5965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25146 7857SOL HW225144 4.280 3.590 0.653 0.3474 0.6499 0.8719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25147 7858SOL OW25145 5.028 4.849 0.052 -0.4690 -0.1872 1.0692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25148 7858SOL HW125146 4.999 4.764 0.096 0.1524 0.0637 2.0063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25149 7858SOL HW225147 4.954 4.916 0.056 -0.5909 -0.3344 1.3015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25150 7859SOL OW25148 3.925 3.592 0.116 -0.6049 0.0259 -0.3718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25151 7859SOL HW125149 3.903 3.689 0.108 0.7661 0.3058 -0.9952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25152 7859SOL HW225150 3.999 3.579 0.182 0.6067 -0.3496 -1.7496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25153 7860SOL OW25151 4.542 3.958 0.371 0.3127 0.0468 -0.2931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25154 7860SOL HW125152 4.544 3.924 0.277 0.9089 1.2952 -0.7464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25155 7860SOL HW225153 4.628 3.935 0.417 0.8734 1.2643 -0.7223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25156 7861SOL OW25154 4.746 4.410 1.401 0.2669 -0.2305 0.0844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25157 7861SOL HW125155 4.676 4.338 1.402 1.2273 -1.2901 -2.1252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25158 7861SOL HW225156 4.835 4.369 1.381 0.4884 1.7643 -3.9252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25159 7862SOL OW25157 5.027 5.424 0.849 0.0828 -0.7126 0.3421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25160 7862SOL HW125158 5.123 5.423 0.820 -0.2032 0.6437 -0.7899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25161 7862SOL HW225159 5.021 5.466 0.940 0.4376 0.8812 -0.3234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25162 7863SOL OW25160 4.167 4.827 0.683 0.0872 -0.3486 0.1609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25163 7863SOL HW125161 4.126 4.853 0.770 -0.4337 0.7970 -0.4106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25164 7863SOL HW225162 4.100 4.777 0.628 0.6174 -1.6619 0.6428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25165 7864SOL OW25163 5.107 5.550 0.484 0.2394 0.1401 -0.2154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25166 7864SOL HW125164 5.123 5.643 0.518 -1.1144 1.6948 -3.3727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25167 7864SOL HW225165 5.026 5.512 0.528 -0.6047 1.4784 -0.5427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25168 7865SOL OW25166 4.715 4.210 0.009 -0.5302 0.2322 0.1818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25169 7865SOL HW125167 4.623 4.244 0.031 -0.0629 1.7886 -0.1910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25170 7865SOL HW225168 4.773 4.218 0.089 -0.3860 0.4243 0.0579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25171 7866SOL OW25169 3.883 4.228 1.373 0.7577 0.0781 0.6788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25172 7866SOL HW125170 3.969 4.222 1.323 1.6800 3.3661 1.5938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25173 7866SOL HW225171 3.892 4.295 1.447 -2.4836 0.2994 1.0450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25174 7867SOL OW25172 4.287 3.831 1.123 0.0793 0.1633 -0.2356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25175 7867SOL HW125173 4.387 3.827 1.131 0.0373 0.1147 0.2968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25176 7867SOL HW225174 4.246 3.782 1.200 -0.3677 1.9894 0.7446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25177 7868SOL OW25175 4.505 4.221 0.316 -0.0188 -0.2626 0.2365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25178 7868SOL HW125176 4.416 4.236 0.273 0.4249 1.2617 -0.2104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25179 7868SOL HW225177 4.524 4.122 0.321 -1.1565 -0.5562 -0.8245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25180 7869SOL OW25178 4.788 3.574 0.673 0.8496 -0.2338 -0.2225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25181 7869SOL HW125179 4.719 3.523 0.622 2.0469 -1.2358 -0.8718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25182 7869SOL HW225180 4.781 3.552 0.770 -0.8950 1.0556 0.0087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25183 7870SOL OW25181 5.215 4.836 0.724 1.0777 -0.5555 0.3764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25184 7870SOL HW125182 5.132 4.879 0.689 1.5058 -0.0814 -0.0809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25185 7870SOL HW225183 5.288 4.845 0.657 1.0463 -2.5029 0.0117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25186 7871SOL OW25184 5.292 4.275 0.838 0.5890 -0.7510 0.5223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25187 7871SOL HW125185 5.224 4.201 0.837 0.2028 -0.5078 2.9693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25188 7871SOL HW225186 5.334 4.280 0.928 3.5375 -0.5286 -0.7329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25189 7872SOL OW25187 5.571 4.310 0.434 0.1960 -0.0794 0.3799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25190 7872SOL HW125188 5.595 4.325 0.530 -0.1291 -0.3071 0.4990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25191 7872SOL HW225189 5.476 4.279 0.428 0.3616 -0.5410 0.0251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25192 7873SOL OW25190 4.221 4.853 0.208 -0.3125 0.6154 0.3614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25193 7873SOL HW125191 4.123 4.837 0.200 -0.1738 0.2715 -1.1576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25194 7873SOL HW225192 4.270 4.777 0.165 0.6575 0.3780 1.8143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25195 7874SOL OW25193 5.696 4.893 0.631 -0.4031 -0.2680 0.2340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25196 7874SOL HW125194 5.717 4.796 0.644 -1.3065 -0.4682 0.2955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25197 7874SOL HW225195 5.616 4.917 0.686 1.1859 1.1018 2.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25198 7875SOL OW25196 5.092 4.217 7.185 0.8999 0.2817 -0.0170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25199 7875SOL HW125197 5.053 4.288 7.244 0.8765 -0.8464 1.3775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25200 7875SOL HW225198 5.022 4.183 7.122 1.1956 2.2241 -1.4959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25201 7876SOL OW25199 4.293 4.083 0.124 -0.3740 -0.8539 0.3217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25202 7876SOL HW125200 4.343 3.997 0.125 -0.6760 -1.0498 -0.7651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25203 7876SOL HW225201 4.351 4.155 0.086 -1.1114 -1.2212 -1.5669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25204 7877SOL OW25202 5.270 4.842 1.440 -0.4955 0.3425 -0.0911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25205 7877SOL HW125203 5.211 4.884 1.509 -2.4006 -0.6029 -1.0652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25206 7877SOL HW225204 5.234 4.863 1.349 -0.2633 -1.5855 -0.6554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25207 7878SOL OW25205 4.653 5.094 1.223 0.4014 0.9490 0.3925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25208 7878SOL HW125206 4.627 5.180 1.267 -0.1147 0.3654 1.2556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25209 7878SOL HW225207 4.637 5.018 1.286 -0.6963 0.0404 -0.9365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25210 7879SOL OW25208 5.223 5.319 1.642 -0.0983 -0.1261 0.8143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25211 7879SOL HW125209 5.201 5.388 1.573 1.2728 0.0424 0.4999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25212 7879SOL HW225210 5.321 5.300 1.638 -0.1141 -0.5965 2.2901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25213 7880SOL OW25211 4.864 4.979 1.082 0.5556 0.3145 0.3285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25214 7880SOL HW125212 4.799 5.035 1.134 -1.0124 -0.9221 -0.2176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25215 7880SOL HW225213 4.899 5.032 1.004 -0.4925 0.7314 0.1225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25216 7881SOL OW25214 5.300 4.671 0.933 -0.0775 -0.1015 -0.0022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25217 7881SOL HW125215 5.305 4.741 1.005 1.6925 0.3539 -0.5329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25218 7881SOL HW225216 5.253 4.708 0.854 -0.6707 -0.0969 0.3442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25219 7882SOL OW25217 4.541 3.685 1.161 0.1144 0.0938 0.5948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25220 7882SOL HW125218 4.559 3.597 1.118 -0.3337 0.4120 -0.2647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25221 7882SOL HW225219 4.624 3.718 1.207 0.1093 -1.0600 1.4791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25222 7883SOL OW25220 4.516 4.647 1.614 0.1276 0.0679 0.8029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25223 7883SOL HW125221 4.491 4.742 1.597 -1.9911 -0.1686 2.1281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25224 7883SOL HW225222 4.600 4.624 1.564 0.2149 2.3565 -0.2112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25225 7884SOL OW25223 4.793 4.734 0.465 0.2631 0.0515 0.3024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25226 7884SOL HW125224 4.760 4.677 0.541 0.7963 0.0670 0.5567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25227 7884SOL HW225225 4.723 4.740 0.394 -1.0721 1.7175 1.6822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25228 7885SOL OW25226 4.306 4.390 1.283 -0.2026 -0.1759 0.4468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25229 7885SOL HW125227 4.339 4.414 1.374 -1.1838 0.6418 0.6004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25230 7885SOL HW225228 4.224 4.334 1.291 -1.6758 1.8392 0.1068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25231 7886SOL OW25229 4.894 4.042 1.231 0.1866 0.5269 -0.2508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25232 7886SOL HW125230 4.926 4.125 1.276 0.5169 0.3855 -0.2203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25233 7886SOL HW225231 4.861 4.065 1.139 0.5652 0.6459 -0.3586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25234 7887SOL OW25232 3.938 5.243 1.334 -0.5397 -0.7339 0.0787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25235 7887SOL HW125233 3.863 5.308 1.346 -0.7322 -0.7092 -1.1784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25236 7887SOL HW225234 3.994 5.271 1.256 0.4235 -1.1024 0.6178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25237 7888SOL OW25235 3.951 4.743 0.508 0.1440 -0.3382 -0.3970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25238 7888SOL HW125236 3.956 4.782 0.416 0.4799 0.1510 -0.1737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25239 7888SOL HW225237 3.978 4.647 0.505 1.7505 0.0923 -0.5489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25240 7889SOL OW25238 4.281 3.940 0.717 0.0679 0.4404 -0.2217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25241 7889SOL HW125239 4.248 3.949 0.623 -0.2828 4.5198 0.1203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25242 7889SOL HW225240 4.379 3.919 0.717 -0.0883 -0.3472 -1.4563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25243 7890SOL OW25241 5.017 5.114 0.450 -0.0841 0.0216 -0.1656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25244 7890SOL HW125242 5.101 5.155 0.414 -0.6249 1.6910 0.3861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25245 7890SOL HW225243 4.938 5.162 0.412 -0.7687 -1.0139 -0.0676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25246 7891SOL OW25244 5.148 5.024 1.116 -0.0521 0.1715 0.4127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25247 7891SOL HW125245 5.136 5.116 1.155 -0.1217 0.4247 -0.1999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25248 7891SOL HW225246 5.063 4.973 1.124 -0.1261 0.2939 0.4099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25249 7892SOL OW25247 5.306 4.228 0.452 -0.0680 0.4031 0.1189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25250 7892SOL HW125248 5.287 4.157 0.520 -1.8364 -1.7166 -2.3633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25251 7892SOL HW225249 5.276 4.316 0.487 -0.1107 -0.4531 2.3867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25252 7893SOL OW25250 4.055 5.339 1.114 -0.4454 0.4215 -0.1069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25253 7893SOL HW125251 3.992 5.311 1.042 1.1637 -0.4325 -1.2335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25254 7893SOL HW225252 4.148 5.342 1.078 0.4391 -0.2030 1.9758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25255 7894SOL OW25253 4.170 4.312 1.828 -0.7044 -0.2224 -0.1339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25256 7894SOL HW125254 4.255 4.334 1.780 -1.9354 1.3098 -1.7820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25257 7894SOL HW225255 4.121 4.241 1.778 -0.8266 -0.4248 0.2703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25258 7895SOL OW25256 5.271 4.492 1.639 0.4924 0.9100 -0.2551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25259 7895SOL HW125257 5.176 4.525 1.646 -0.6079 -1.6923 -1.4849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25260 7895SOL HW225258 5.305 4.511 1.547 1.1874 1.8115 0.1767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25261 7896SOL OW25259 4.853 3.648 1.665 -0.1831 -0.1178 -0.3896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25262 7896SOL HW125260 4.919 3.644 1.740 -0.2175 -0.2423 -0.3641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25263 7896SOL HW225261 4.895 3.612 1.581 -0.5495 -1.2223 -0.1203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25264 7897SOL OW25262 4.209 3.697 1.648 -0.0128 -0.0830 -0.1592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25265 7897SOL HW125263 4.135 3.649 1.695 1.1339 -0.0695 1.7568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25266 7897SOL HW225264 4.177 3.786 1.617 -1.0062 -0.3845 -0.0227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25267 7898SOL OW25265 4.230 4.518 1.050 0.0358 0.0493 -0.0308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25268 7898SOL HW125266 4.252 4.615 1.039 0.4804 -0.0431 0.0212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25269 7898SOL HW225267 4.257 4.488 1.142 -0.0890 -0.1264 -0.0513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25270 7899SOL OW25268 4.902 4.701 0.800 -0.4635 0.0307 0.4888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25271 7899SOL HW125269 4.967 4.646 0.748 0.0854 1.5928 -0.5552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25272 7899SOL HW225270 4.907 4.796 0.770 -3.4576 0.1738 0.1743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25273 7900SOL OW25271 4.888 4.213 0.247 -0.4453 0.8282 0.2394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25274 7900SOL HW125272 4.838 4.253 0.324 -0.7457 0.6698 0.1272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25275 7900SOL HW225273 4.979 4.254 0.242 -0.1891 0.3831 1.0589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25276 7901SOL OW25274 4.045 3.837 1.276 -0.0601 -0.5880 0.1536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25277 7901SOL HW125275 4.045 3.902 1.352 1.0359 -1.2002 0.7045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25278 7901SOL HW225276 4.012 3.748 1.308 0.0689 -0.7585 -0.1806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25279 7902SOL OW25277 3.942 4.962 1.306 -0.5511 -0.1152 -0.3778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25280 7902SOL HW125278 3.966 4.939 1.400 0.3592 -0.3602 -0.6643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25281 7902SOL HW225279 3.934 5.061 1.297 -1.6922 -0.1380 0.1950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25282 7903SOL OW25280 4.420 4.332 0.992 -0.0863 -0.1830 -0.5671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25283 7903SOL HW125281 4.334 4.378 1.013 0.7434 1.2505 -0.1683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25284 7903SOL HW225282 4.496 4.396 1.003 1.0315 -1.3695 -1.0609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25285 7904SOL OW25283 5.520 4.504 1.813 -0.0755 0.3027 -0.0492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25286 7904SOL HW125284 5.589 4.459 1.756 -1.2204 -1.8859 0.2029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25287 7904SOL HW225285 5.429 4.489 1.775 -0.7849 -0.3877 1.7831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25288 7905SOL OW25286 3.958 3.719 0.638 0.3743 -0.0804 0.0620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25289 7905SOL HW125287 3.931 3.812 0.662 -0.5813 -0.5085 0.6746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25290 7905SOL HW225288 4.005 3.677 0.716 0.5822 -0.2047 -0.1274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25291 7906SOL OW25289 5.197 4.038 0.214 -0.0625 0.2828 0.3128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25292 7906SOL HW125290 5.196 3.940 0.232 1.3047 0.2430 0.2710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25293 7906SOL HW225291 5.226 4.087 0.296 0.9898 0.5011 -0.1733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25294 7907SOL OW25292 4.873 4.237 0.900 -0.1833 0.1657 0.4422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25295 7907SOL HW125293 4.809 4.168 0.934 -0.1038 0.4241 1.1406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25296 7907SOL HW225294 4.827 4.298 0.837 -0.0109 -1.1365 -1.0165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25297 7908SOL OW25295 4.789 5.209 1.595 0.5347 -0.2723 -0.6358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25298 7908SOL HW125296 4.762 5.276 1.526 0.7145 0.8144 0.3061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25299 7908SOL HW225297 4.758 5.118 1.568 0.7804 0.0858 -2.2334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25300 7909SOL OW25298 5.508 5.264 1.544 0.6316 0.6885 0.0509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25301 7909SOL HW125299 5.520 5.265 1.445 0.1439 1.8573 -0.0103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25302 7909SOL HW225300 5.595 5.238 1.587 0.9393 0.5005 -0.6633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25303 7910SOL OW25301 4.287 4.694 1.963 -0.0023 0.0593 -0.2085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25304 7910SOL HW125302 4.368 4.738 2.001 -0.8412 0.5052 1.1504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25305 7910SOL HW225303 4.261 4.739 1.877 0.2977 0.9173 0.1426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25306 7911SOL OW25304 5.283 4.403 7.163 -0.1955 0.0874 0.5857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25307 7911SOL HW125305 5.293 4.431 7.068 -0.2949 1.4102 0.9544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25308 7911SOL HW225306 5.224 4.322 7.168 -1.3314 0.8303 -0.3676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25309 7912SOL OW25307 4.958 4.486 7.207 0.0156 0.7255 -0.2084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25310 7912SOL HW125308 4.862 4.510 7.192 0.5127 2.7814 -0.4360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25311 7912SOL HW225309 5.014 4.527 7.134 1.1692 0.4068 0.4795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25312 7913SOL OW25310 4.933 5.143 0.879 -0.0441 0.2603 0.0941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25313 7913SOL HW125311 4.962 5.098 0.794 1.8269 -0.1050 0.8665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25314 7913SOL HW225312 4.969 5.237 0.880 -0.3950 0.3906 0.3008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25315 7914SOL OW25313 4.131 4.331 0.875 -0.0583 -0.3863 -0.5571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25316 7914SOL HW125314 4.165 4.414 0.921 -0.6735 -1.2106 1.4609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25317 7914SOL HW225315 4.129 4.255 0.939 -1.6254 -1.4455 -1.7760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25318 7915SOL OW25316 4.134 4.077 0.947 0.3090 -0.1895 -0.1033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25319 7915SOL HW125317 4.076 3.998 0.967 -0.8031 0.1800 -1.6679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25320 7915SOL HW225318 4.185 4.060 0.863 1.1925 0.1864 0.3436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25321 7916SOL OW25319 4.664 4.095 1.642 0.7023 0.0556 -0.0425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25322 7916SOL HW125320 4.659 4.057 1.734 2.1588 0.2258 0.1198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25323 7916SOL HW225321 4.751 4.144 1.630 0.0604 0.9893 -1.1434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25324 7917SOL OW25322 4.762 3.783 1.285 -0.2523 -0.0838 0.5720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25325 7917SOL HW125323 4.747 3.802 1.382 -0.7221 0.1893 0.4492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25326 7917SOL HW225324 4.801 3.864 1.241 0.0822 -0.2513 0.5561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25327 7918SOL OW25325 3.796 4.605 0.059 0.0180 -0.7175 -0.0894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25328 7918SOL HW125326 3.715 4.650 0.022 0.3621 0.9681 1.1199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25329 7918SOL HW225327 3.777 4.571 0.151 0.7891 0.0540 0.3650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25330 7919SOL OW25328 3.785 5.458 0.908 0.8453 0.3776 -0.3938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25331 7919SOL HW125329 3.792 5.359 0.915 1.7936 0.4785 0.2904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25332 7919SOL HW225330 3.869 5.495 0.868 1.9172 1.1633 2.3970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25333 7920SOL OW25331 4.179 5.330 0.761 -0.3597 0.4107 -0.5005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25334 7920SOL HW125332 4.242 5.373 0.825 0.9196 2.1791 -2.7981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25335 7920SOL HW225333 4.211 5.237 0.740 -0.8438 -0.2265 1.3702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25336 7921SOL OW25334 4.629 4.478 1.119 0.4631 0.2224 -0.5106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25337 7921SOL HW125335 4.692 4.432 1.182 -0.9885 -1.3151 -0.0968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25338 7921SOL HW225336 4.602 4.566 1.158 2.1552 0.8212 -0.6069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25339 7922SOL OW25337 3.585 4.272 1.061 0.0423 -0.3902 0.4987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25340 7922SOL HW125338 3.639 4.237 0.984 2.1446 2.4110 0.5802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25341 7922SOL HW225339 3.567 4.197 1.124 0.3835 -2.2514 -1.4723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25342 7923SOL OW25340 3.965 4.151 1.734 -0.0149 0.1902 0.4067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25343 7923SOL HW125341 3.897 4.082 1.758 -0.3255 0.8584 1.5214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25344 7923SOL HW225342 3.928 4.210 1.661 -0.0683 -0.3144 0.0240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25345 7924SOL OW25343 5.014 4.592 1.587 -0.0998 0.2551 -0.1211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25346 7924SOL HW125344 5.030 4.686 1.617 0.4035 -0.1538 0.9746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25347 7924SOL HW225345 5.001 4.589 1.488 2.0859 1.2142 -0.4729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25348 7925SOL OW25346 4.331 4.445 0.238 0.3094 -0.2578 0.2129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25349 7925SOL HW125347 4.315 4.530 0.189 -1.4110 -0.5318 0.2188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25350 7925SOL HW225348 4.299 4.454 0.332 -1.0391 -1.2431 -0.1140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25351 7926SOL OW25349 5.390 4.276 1.091 0.0391 0.0082 0.3028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25352 7926SOL HW125350 5.395 4.176 1.093 1.0240 0.0543 0.4766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25353 7926SOL HW225351 5.482 4.314 1.099 -0.4974 0.9624 2.6996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25354 7927SOL OW25352 4.003 5.206 1.891 -0.0097 -0.2914 0.1718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25355 7927SOL HW125353 3.905 5.197 1.906 0.0384 -2.0538 -0.3497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25356 7927SOL HW225354 4.045 5.115 1.889 1.9940 0.4511 2.5833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25357 7928SOL OW25355 4.449 4.076 1.074 0.1291 -0.7065 -0.0181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25358 7928SOL HW125356 4.358 4.035 1.080 0.0010 -0.3709 0.3455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25359 7928SOL HW225357 4.441 4.170 1.040 0.5292 -1.3787 -2.0990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25360 7929SOL OW25358 4.722 5.332 1.353 -0.2851 0.3646 0.2187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25361 7929SOL HW125359 4.632 5.317 1.393 -0.5982 1.2396 -0.1316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25362 7929SOL HW225360 4.721 5.416 1.298 1.0471 1.0426 1.1721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25363 7930SOL OW25361 4.063 4.086 0.269 0.5441 0.0231 -0.6945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25364 7930SOL HW125362 4.157 4.085 0.235 0.1616 -0.1901 -1.7881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25365 7930SOL HW225363 4.011 4.158 0.224 0.2610 0.3525 0.1437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25366 7931SOL OW25364 4.052 4.731 1.549 0.0903 -0.1491 -0.0931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25367 7931SOL HW125365 4.031 4.657 1.614 -1.2551 0.7128 0.4892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25368 7931SOL HW225366 4.054 4.694 1.456 2.7278 -1.5455 0.4241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25369 7932SOL OW25367 4.928 4.711 1.074 1.0264 0.4301 -0.3815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25370 7932SOL HW125368 4.920 4.683 0.978 0.3429 2.4649 -0.9696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25371 7932SOL HW225369 4.906 4.808 1.082 0.4742 0.1735 1.9415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25372 7933SOL OW25370 4.918 4.623 0.163 0.3938 -0.6293 -0.6424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25373 7933SOL HW125371 4.828 4.602 0.202 -0.1185 0.6929 -1.0488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25374 7933SOL HW225372 4.937 4.560 0.088 -1.0718 0.2273 -1.7975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25375 7934SOL OW25373 5.515 5.298 1.051 -0.6958 0.2234 0.0420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25376 7934SOL HW125374 5.585 5.362 1.019 -0.2360 -0.9383 -1.3770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25377 7934SOL HW225375 5.529 5.209 1.008 -1.5911 -0.7218 1.6316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25378 7935SOL OW25376 5.048 5.449 1.146 0.5642 -0.3682 0.0651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25379 7935SOL HW125377 5.146 5.434 1.134 0.2207 -1.0114 -2.6244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25380 7935SOL HW225378 5.009 5.376 1.202 0.9127 -3.0532 -2.9264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25381 7936SOL OW25379 3.953 4.759 1.141 0.1365 -0.1325 -0.1472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25382 7936SOL HW125380 3.928 4.838 1.198 -0.5141 0.7329 -1.5570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25383 7936SOL HW225381 3.880 4.742 1.075 -0.0810 -2.4380 0.6170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25384 7937SOL OW25382 4.431 5.425 1.890 0.6326 -0.9687 -0.6578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25385 7937SOL HW125383 4.349 5.462 1.847 -1.1993 -3.4889 0.3790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25386 7937SOL HW225384 4.512 5.459 1.843 -0.9525 1.8178 -1.5799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25387 7938SOL OW25385 4.890 3.726 0.033 0.5295 0.1030 -0.0921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25388 7938SOL HW125386 4.820 3.671 -0.012 0.7895 -0.3676 0.0699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25389 7938SOL HW225387 4.851 3.812 0.064 0.1239 0.0228 -0.3758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25390 7939SOL OW25388 5.414 3.702 0.381 -0.0156 0.1542 -0.5140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25391 7939SOL HW125389 5.498 3.695 0.328 -0.2404 -0.8333 -0.7577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25392 7939SOL HW225390 5.422 3.648 0.465 -0.7900 -0.8439 -1.0651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25393 7940SOL OW25391 5.235 5.293 0.402 -0.6129 0.6177 0.0696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25394 7940SOL HW125392 5.282 5.320 0.319 -0.5318 -0.3023 -0.1901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25395 7940SOL HW225393 5.176 5.369 0.433 -0.0108 1.2674 -0.3446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25396 7941SOL OW25394 3.895 5.571 1.834 0.3704 0.5463 0.5960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25397 7941SOL HW125395 3.932 5.655 1.875 -0.1369 -0.1522 2.6445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25398 7941SOL HW225396 3.883 5.503 1.906 -0.2171 -0.9352 -0.8584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25399 7942SOL OW25397 4.984 4.515 0.603 0.2122 0.2855 -0.2407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25400 7942SOL HW125398 5.079 4.489 0.620 -0.0386 -0.2604 0.4029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25401 7942SOL HW225399 4.977 4.558 0.513 0.8548 -0.8777 -0.8833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25402 7943SOL OW25400 4.511 5.217 1.462 0.4284 0.4107 -0.1744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25403 7943SOL HW125401 4.506 5.158 1.543 0.2837 0.8191 0.1204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25404 7943SOL HW225402 4.423 5.218 1.415 0.4668 0.2944 -0.2487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25405 7944SOL OW25403 4.226 5.102 0.311 0.1954 -0.5367 0.0788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25406 7944SOL HW125404 4.146 5.089 0.369 -0.6373 0.8925 -0.7071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25407 7944SOL HW225405 4.238 5.021 0.254 -0.9673 -0.6053 -0.1021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25408 7945SOL OW25406 5.272 5.436 1.370 -0.9283 0.2801 -0.6926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25409 7945SOL HW125407 5.284 5.453 1.273 0.4506 -0.0845 -0.6096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25410 7945SOL HW225408 5.351 5.472 1.421 0.1238 -2.5437 -0.1059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25411 7946SOL OW25409 5.372 3.847 0.830 -0.2823 -0.3945 0.5016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25412 7946SOL HW125410 5.467 3.838 0.858 -0.2040 0.5582 0.5836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25413 7946SOL HW225411 5.340 3.761 0.789 1.6934 0.3087 -2.8932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25414 7947SOL OW25412 3.921 3.961 0.728 0.6281 0.3566 -0.6926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25415 7947SOL HW125413 3.840 4.018 0.714 0.7243 0.2954 -1.5653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25416 7947SOL HW225414 3.945 3.960 0.825 -0.9824 -0.4001 -0.2768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25417 7948SOL OW25415 4.959 5.239 0.048 0.5354 0.0300 -0.6102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25418 7948SOL HW125416 4.917 5.179 0.117 -1.4926 2.7777 0.7545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25419 7948SOL HW225417 4.910 5.229 -0.038 1.0596 -1.1497 -0.7916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25420 7949SOL OW25418 4.530 4.713 1.219 -0.1818 0.0173 0.1587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25421 7949SOL HW125419 4.493 4.741 1.130 0.5884 0.4141 -0.0397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25422 7949SOL HW225420 4.461 4.730 1.290 -0.8888 -0.5173 -0.3809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25423 7950SOL OW25421 4.597 4.689 0.247 0.7003 -0.1828 -1.1260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25424 7950SOL HW125422 4.610 4.712 0.150 -0.3320 -1.0215 -1.4934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25425 7950SOL HW225423 4.612 4.591 0.260 -0.1499 -0.2608 -0.6421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25426 7951SOL OW25424 5.144 5.454 7.214 -0.0839 0.4623 0.0343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25427 7951SOL HW125425 5.107 5.368 7.249 0.0659 1.2602 2.3046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25428 7951SOL HW225426 5.069 5.513 7.186 -0.1561 -0.9882 -3.2878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25429 7952SOL OW25427 4.224 5.002 1.276 -0.6181 0.5257 -0.0731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25430 7952SOL HW125428 4.253 5.098 1.277 -0.3580 0.4475 0.3246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25431 7952SOL HW225429 4.126 4.996 1.295 -0.4057 0.6490 1.2103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25432 7953SOL OW25430 5.364 4.871 1.115 -0.7416 0.0677 0.8035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25433 7953SOL HW125431 5.442 4.918 1.157 -0.1002 1.9307 -2.1399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25434 7953SOL HW225432 5.287 4.934 1.109 -1.2656 -0.5962 0.4463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25435 7954SOL OW25433 4.929 4.927 0.631 -0.2555 -0.0940 -0.6266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25436 7954SOL HW125434 4.875 4.862 0.578 -1.6618 1.7709 -1.5956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25437 7954SOL HW225435 4.970 4.994 0.571 -0.8887 1.3686 0.5075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25438 7955SOL OW25436 4.534 3.886 0.658 -0.6202 -0.4960 -0.2269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25439 7955SOL HW125437 4.586 3.938 0.591 -0.5101 -1.7190 -1.1195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25440 7955SOL HW225438 4.597 3.835 0.717 -0.7722 -0.9259 -0.4368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25441 7956SOL OW25439 4.451 5.242 0.482 0.6854 -0.3508 0.1546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25442 7956SOL HW125440 4.472 5.167 0.545 0.0557 -1.0848 -0.4826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25443 7956SOL HW225441 4.369 5.220 0.430 1.8151 -0.2977 -1.7490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25444 7957SOL OW25442 5.340 4.025 1.391 0.3336 0.2122 -0.2195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25445 7957SOL HW125443 5.416 4.086 1.413 0.6517 -0.3039 0.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25446 7957SOL HW225444 5.334 4.014 1.291 -0.0765 1.2595 -0.3161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25447 7958SOL OW25445 3.966 4.776 0.221 0.0986 0.0949 0.2589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25448 7958SOL HW125446 3.960 4.676 0.226 0.3475 0.1350 1.8947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25449 7958SOL HW225447 3.917 4.808 0.140 -2.3368 -1.1389 1.1560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25450 7959SOL OW25448 3.978 4.526 1.814 -0.2282 0.2508 0.5948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25451 7959SOL HW125449 3.915 4.510 1.890 1.1845 1.3508 2.0780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25452 7959SOL HW225450 4.059 4.468 1.826 -0.7282 -0.8941 -1.1007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25453 7960SOL OW25451 4.457 3.777 1.388 -0.4070 0.3346 0.0752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25454 7960SOL HW125452 4.484 3.717 1.313 0.0290 1.9449 -1.1200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25455 7960SOL HW225453 4.538 3.802 1.441 0.0147 2.3780 -1.4001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25456 7961SOL OW25454 4.101 4.000 7.225 -0.0782 -0.7306 0.0541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25457 7961SOL HW125455 4.032 4.068 7.201 0.5854 -0.6492 -1.8403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25458 7961SOL HW225456 4.170 4.041 7.284 -0.2821 -0.0800 -0.1605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25459 7962SOL OW25457 5.031 4.566 1.321 0.3637 0.4022 -0.3492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25460 7962SOL HW125458 4.987 4.633 1.261 0.2856 1.8660 1.2837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25461 7962SOL HW225459 5.110 4.526 1.273 0.0321 1.1769 -1.5854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25462 7963SOL OW25460 3.713 4.029 0.085 -0.8356 -0.3136 -0.0295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25463 7963SOL HW125461 3.648 3.991 0.020 0.7423 -1.8792 -0.7894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25464 7963SOL HW225462 3.783 3.961 0.105 1.3149 1.6841 -0.2696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25465 7964SOL OW25463 4.819 5.035 0.217 -0.6660 -0.1361 -0.3024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25466 7964SOL HW125464 4.741 5.096 0.235 0.4067 1.3782 -0.5804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25467 7964SOL HW225465 4.840 4.983 0.299 -1.2385 0.3047 0.1348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25468 7965SOL OW25466 4.372 4.421 1.686 0.2553 0.5445 -0.6242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25469 7965SOL HW125467 4.412 4.512 1.677 0.8235 0.2977 -0.6149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25470 7965SOL HW225468 4.411 4.361 1.616 0.1199 0.2238 -0.4212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25471 7966SOL OW25469 5.307 5.458 1.112 0.2202 -0.5868 0.0007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25472 7966SOL HW125470 5.321 5.521 1.035 -0.6000 -2.1744 -1.5038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25473 7966SOL HW225471 5.366 5.378 1.101 0.7229 -0.4451 1.5094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25474 7967SOL OW25472 4.680 3.854 1.527 -0.2154 -0.0382 0.2062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25475 7967SOL HW125473 4.746 3.797 1.575 -0.0888 0.3856 0.5448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25476 7967SOL HW225474 4.683 3.947 1.564 1.3937 0.8711 -1.9710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25477 7968SOL OW25475 5.043 4.845 1.660 0.7305 -0.7435 0.0769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25478 7968SOL HW125476 5.083 4.873 1.747 1.5729 -0.1952 -0.4738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25479 7968SOL HW225477 5.030 4.925 1.601 -0.0335 -1.0797 -0.2300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25480 7969SOL OW25478 4.073 5.383 1.666 -0.0665 -0.1144 0.0251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25481 7969SOL HW125479 3.976 5.406 1.659 -0.2511 -0.6429 0.6821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25482 7969SOL HW225480 4.085 5.311 1.735 0.7898 -0.0698 -0.0654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25483 7970SOL OW25481 5.225 4.492 1.158 0.2297 -0.3736 -0.3228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25484 7970SOL HW125482 5.280 4.410 1.142 2.6430 1.1028 -0.2114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25485 7970SOL HW225483 5.237 4.556 1.082 -0.1698 0.5718 0.3822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25486 7971SOL OW25484 4.793 3.889 0.493 0.1552 0.0232 0.5913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25487 7971SOL HW125485 4.845 3.813 0.454 -0.1164 0.8099 -1.4286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25488 7971SOL HW225486 4.854 3.946 0.547 0.7238 -0.7213 0.7523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25489 7972SOL OW25487 4.445 4.370 0.523 0.3655 0.0871 0.0768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25490 7972SOL HW125488 4.485 4.317 0.448 1.5276 0.9313 0.0832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25491 7972SOL HW225489 4.398 4.309 0.586 -1.1802 -0.5914 -1.6485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25492 7973SOL OW25490 5.368 4.035 1.652 -0.1269 -0.5589 -0.1131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25493 7973SOL HW125491 5.323 4.051 1.564 -1.3334 -1.1655 0.3685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25494 7973SOL HW225492 5.306 3.984 1.712 0.2332 0.8221 1.4963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25495 7974SOL OW25493 5.380 4.584 1.367 0.0774 0.2856 -0.0037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25496 7974SOL HW125494 5.355 4.679 1.386 -1.0367 -0.1928 1.1063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25497 7974SOL HW225495 5.325 4.550 1.291 -0.2844 0.2251 0.2815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25498 7975SOL OW25496 4.587 5.168 0.256 -0.0058 -0.5872 -0.6296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25499 7975SOL HW125497 4.539 5.199 0.338 0.5058 -0.9020 -0.2028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25500 7975SOL HW225498 4.544 5.208 0.175 0.4788 1.0141 -0.1215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25501 7976SOL OW25499 4.309 5.390 1.005 -0.2559 0.3341 -0.6149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25502 7976SOL HW125500 4.324 5.485 0.976 -0.4928 0.7748 0.6293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25503 7976SOL HW225501 4.395 5.340 1.002 -0.0456 0.7046 -0.8766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25504 7977SOL OW25502 4.689 4.523 0.847 0.5733 -0.1935 0.1430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25505 7977SOL HW125503 4.776 4.572 0.841 0.7224 -0.6276 -1.9541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25506 7977SOL HW225504 4.668 4.504 0.943 3.7092 -1.7086 0.6722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25507 7978SOL OW25505 4.568 4.720 7.228 0.1723 0.2629 -1.0605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25508 7978SOL HW125506 4.589 4.816 7.210 -1.1470 0.3144 -2.5010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25509 7978SOL HW225507 4.617 4.662 7.162 3.4442 -0.3882 1.6639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25510 7979SOL OW25508 5.698 5.212 0.715 -0.0599 -0.3055 0.4467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25511 7979SOL HW125509 5.684 5.150 0.792 2.5140 0.6245 1.7827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25512 7979SOL HW225510 5.697 5.307 0.749 -0.6393 0.2373 -1.0048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25513 7980SOL OW25511 4.033 4.894 1.951 -0.0660 -0.3147 -0.0182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25514 7980SOL HW125512 4.058 4.839 2.031 1.2623 -1.6290 -1.2751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25515 7980SOL HW225513 3.940 4.869 1.922 -0.1423 -0.6192 0.4677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25516 7981SOL OW25514 3.761 4.725 0.704 -0.2286 -0.5609 0.0389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25517 7981SOL HW125515 3.785 4.689 0.794 -1.6628 -0.7573 0.3667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25518 7981SOL HW225516 3.844 4.735 0.649 1.1055 2.1609 2.2825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25519 7982SOL OW25517 4.422 5.033 1.660 -0.0715 -0.0256 -0.0959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25520 7982SOL HW125518 4.339 4.982 1.681 -0.5826 1.3774 1.4369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25521 7982SOL HW225519 4.501 4.986 1.699 -0.2531 -0.7913 -0.6244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25522 7983SOL OW25520 5.358 3.990 1.086 -0.2493 -0.4819 -0.2639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25523 7983SOL HW125521 5.447 3.957 1.116 -1.0088 -2.1016 0.3325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25524 7983SOL HW225522 5.335 3.948 0.998 -1.6009 -2.3922 0.9101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25525 7984SOL OW25523 4.109 4.017 0.531 0.0773 0.2019 -0.1066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25526 7984SOL HW125524 4.078 4.009 0.437 0.6565 1.0065 -0.3774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25527 7984SOL HW225525 4.032 4.001 0.593 0.2069 -3.0048 -0.5892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25528 7985SOL OW25526 5.541 5.055 0.911 -0.2165 0.4627 0.4660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25529 7985SOL HW125527 5.441 5.060 0.902 -0.2817 -0.7984 0.2520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25530 7985SOL HW225528 5.570 4.959 0.906 0.9734 0.7790 0.9536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25531 7986SOL OW25529 4.106 4.164 1.244 -0.3233 -0.5113 -0.0931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25532 7986SOL HW125530 4.178 4.133 1.306 -1.6053 -1.7967 0.8060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25533 7986SOL HW225531 4.121 4.125 1.153 0.6048 -0.0282 -0.1565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25534 7987SOL OW25532 4.488 5.466 0.650 -0.2799 -0.1047 -0.5441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25535 7987SOL HW125533 4.459 5.549 0.603 -1.6170 0.7485 1.6692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25536 7987SOL HW225534 4.473 5.387 0.590 1.4329 1.1913 -2.8751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25537 7988SOL OW25535 5.004 3.864 0.988 0.2465 0.2976 0.4585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25538 7988SOL HW125536 5.041 3.772 0.979 1.6942 0.5781 2.8054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25539 7988SOL HW225537 4.978 3.881 1.083 -0.6714 2.0785 -0.0597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25540 7989SOL OW25538 4.739 3.818 0.862 0.0977 -0.5425 0.6224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25541 7989SOL HW125539 4.815 3.816 0.796 0.9993 1.3169 1.5335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25542 7989SOL HW225540 4.768 3.772 0.947 0.0684 -0.1711 0.8350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25543 7990SOL OW25541 4.545 5.069 0.663 -0.6406 0.6048 0.1688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25544 7990SOL HW125542 4.527 4.971 0.665 -1.1788 0.6984 0.1395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25545 7990SOL HW225543 4.637 5.087 0.698 0.0639 -0.0425 -1.3020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25546 7991SOL OW25544 4.301 5.270 1.289 -0.3997 0.4374 0.6046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25547 7991SOL HW125545 4.258 5.349 1.333 1.7170 1.2237 1.3900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25548 7991SOL HW225546 4.307 5.286 1.190 -1.8032 0.3315 0.4842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25549 7992SOL OW25547 4.956 3.718 0.376 -0.0962 -0.2438 -0.0015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25550 7992SOL HW125548 5.032 3.749 0.318 -1.5233 1.1180 -1.2285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25551 7992SOL HW225549 4.906 3.645 0.330 -1.3917 1.0204 -0.6856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25552 7993SOL OW25550 4.957 4.072 0.573 0.1677 0.1390 0.0719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25553 7993SOL HW125551 4.897 4.146 0.540 0.8360 -0.0022 -1.5367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25554 7993SOL HW225552 4.992 4.096 0.664 -0.9800 0.9983 0.3142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25555 7994SOL OW25553 5.283 3.626 0.728 -0.0063 0.0961 0.3470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25556 7994SOL HW125554 5.200 3.657 0.681 0.1123 -1.6806 -1.1305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25557 7994SOL HW225555 5.313 3.539 0.689 2.0676 0.2561 1.4562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25558 7995SOL OW25556 3.652 4.437 0.230 0.7890 0.2799 -0.0880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25559 7995SOL HW125557 3.689 4.396 0.313 -2.6272 -1.2843 0.8680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25560 7995SOL HW225558 3.635 4.365 0.162 2.9435 1.4562 -1.9849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25561 7996SOL OW25559 4.605 5.433 0.329 -0.3046 -0.0154 0.5141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25562 7996SOL HW125560 4.562 5.359 0.381 -0.5308 0.5873 1.2071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25563 7996SOL HW225561 4.592 5.520 0.378 -0.0637 0.4864 -0.2961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25564 7997SOL OW25562 3.978 4.186 2.071 0.1807 -0.4193 0.8344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25565 7997SOL HW125563 3.883 4.199 2.099 0.5137 0.6789 1.4940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25566 7997SOL HW225564 3.995 4.235 1.986 0.0673 -0.9345 0.5083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25567 7998SOL OW25565 5.189 5.289 2.493 0.0290 -0.4134 -0.1142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25568 7998SOL HW125566 5.144 5.278 2.582 0.1087 -0.4492 -0.0790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25569 7998SOL HW225567 5.129 5.342 2.432 0.4037 0.4900 0.2862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25570 7999SOL OW25568 4.807 4.433 2.581 -0.4280 -0.1992 -0.0574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25571 7999SOL HW125569 4.843 4.515 2.536 0.6525 0.5187 1.9997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25572 7999SOL HW225570 4.721 4.456 2.626 0.0895 -0.0670 0.8768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25573 8000SOL OW25571 5.328 4.161 2.057 0.2355 -0.2437 0.3626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25574 8000SOL HW125572 5.292 4.210 1.977 -2.0964 -1.2563 0.7274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25575 8000SOL HW225573 5.282 4.073 2.066 2.7481 -1.5835 1.0149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25576 8001SOL OW25574 4.422 4.818 2.718 -0.0954 -0.1088 -0.3991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25577 8001SOL HW125575 4.328 4.795 2.692 -0.8559 1.1330 1.0489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25578 8001SOL HW225576 4.439 4.915 2.698 0.9022 -0.3433 -0.7064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25579 8002SOL OW25577 4.486 4.656 3.618 -0.4195 -0.0258 -0.1343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25580 8002SOL HW125578 4.567 4.600 3.632 0.5488 1.5744 0.9559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25581 8002SOL HW225579 4.493 4.703 3.530 -0.0134 0.3412 0.0920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25582 8003SOL OW25580 4.508 4.606 2.572 -0.0753 0.5330 0.1418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25583 8003SOL HW125581 4.532 4.620 2.476 1.0727 1.7407 0.5711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25584 8003SOL HW225582 4.473 4.692 2.610 2.1597 0.9041 1.5257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25585 8004SOL OW25583 5.131 5.176 3.232 0.1046 -0.4470 0.2748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25586 8004SOL HW125584 5.185 5.258 3.210 0.3147 -0.9729 -1.2758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25587 8004SOL HW225585 5.111 5.175 3.330 0.4370 1.2517 0.3966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25588 8005SOL OW25586 5.286 4.052 2.517 -0.4217 0.1256 0.3445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25589 8005SOL HW125587 5.213 4.090 2.460 0.0823 -0.3687 -0.6539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25590 8005SOL HW225588 5.339 4.126 2.558 2.1005 0.7742 -3.5083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25591 8006SOL OW25589 3.838 5.349 2.397 0.0464 0.1373 0.0530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25592 8006SOL HW125590 3.835 5.416 2.471 -1.4959 0.7748 -0.5390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25593 8006SOL HW225591 3.829 5.396 2.309 -2.6989 -0.8893 -0.3129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25594 8007SOL OW25592 5.131 5.212 3.503 0.0541 0.0647 -0.0079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25595 8007SOL HW125593 5.176 5.300 3.484 1.4110 -0.7555 -0.7744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25596 8007SOL HW225594 5.201 5.141 3.510 -0.9843 -0.8633 1.1897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25597 8008SOL OW25595 3.757 5.081 2.344 -0.3601 -0.3848 -0.3465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25598 8008SOL HW125596 3.814 5.164 2.350 2.2458 -2.1090 4.0303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25599 8008SOL HW225597 3.669 5.098 2.388 0.1927 0.1104 0.6057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25600 8009SOL OW25598 4.116 5.654 3.341 -0.2957 -0.4259 0.0715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25601 8009SOL HW125599 4.072 5.661 3.431 -0.2498 -0.3027 0.0844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25602 8009SOL HW225600 4.159 5.741 3.319 2.8428 -1.4682 1.5343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25603 8010SOL OW25601 4.530 4.731 2.108 -0.4149 -0.7732 -0.0112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25604 8010SOL HW125602 4.580 4.816 2.096 -1.6533 -0.2326 -1.7029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25605 8010SOL HW225603 4.557 4.666 2.037 -2.4583 -0.2499 -1.3585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25606 8011SOL OW25604 5.240 3.806 3.469 0.2252 0.3096 -0.2760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25607 8011SOL HW125605 5.190 3.839 3.388 0.6702 2.0521 0.1240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25608 8011SOL HW225606 5.229 3.871 3.544 0.3642 -0.9608 0.8749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25609 8012SOL OW25607 5.567 5.467 2.071 -0.2970 -0.0435 0.7141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25610 8012SOL HW125608 5.609 5.422 2.150 0.5712 -1.0556 -0.2938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25611 8012SOL HW225609 5.591 5.564 2.071 -1.3191 0.2519 2.3342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25612 8013SOL OW25610 3.720 5.198 1.878 0.1228 -0.5374 -0.1956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25613 8013SOL HW125611 3.692 5.105 1.854 -1.0757 0.1783 -1.7254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25614 8013SOL HW225612 3.650 5.241 1.935 0.4119 -0.3894 0.0487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25615 8014SOL OW25613 5.347 4.553 2.339 0.0256 -0.4173 0.0652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25616 8014SOL HW125614 5.383 4.466 2.306 2.0429 -0.3936 1.9882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25617 8014SOL HW225615 5.380 4.627 2.281 -0.3847 -0.7672 -0.6284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25618 8015SOL OW25616 5.392 4.831 2.207 0.2600 -0.0395 0.4005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25619 8015SOL HW125617 5.492 4.827 2.214 0.2957 -0.0595 -0.0729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25620 8015SOL HW225618 5.358 4.902 2.268 0.5042 -0.4811 1.0597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25621 8016SOL OW25619 4.777 4.801 3.513 0.0021 0.9392 0.1049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25622 8016SOL HW125620 4.869 4.834 3.534 -0.0693 0.8942 0.4939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25623 8016SOL HW225621 4.740 4.752 3.592 0.6196 -1.2718 -0.9238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25624 8017SOL OW25622 5.170 4.758 2.051 -0.0616 -0.3789 0.0420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25625 8017SOL HW125623 5.091 4.700 2.072 -0.4719 0.0143 -0.3894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25626 8017SOL HW225624 5.217 4.782 2.136 0.6988 -2.1470 0.1550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25627 8018SOL OW25625 4.822 5.544 3.490 0.0311 0.0965 -0.2019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25628 8018SOL HW125626 4.742 5.584 3.446 -2.9067 -0.7825 3.7592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25629 8018SOL HW225627 4.829 5.447 3.464 -0.6141 0.0148 -0.0915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25630 8019SOL OW25628 5.255 5.134 2.821 0.0323 0.1647 -0.6984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25631 8019SOL HW125629 5.163 5.146 2.857 0.0853 -0.6924 -0.2327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25632 8019SOL HW225630 5.255 5.061 2.752 0.8737 -2.2601 1.6850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25633 8020SOL OW25631 5.385 5.535 2.399 0.4075 0.3136 -0.0257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25634 8020SOL HW125632 5.424 5.535 2.491 -0.5597 -0.1185 0.4025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25635 8020SOL HW225633 5.428 5.463 2.345 -0.6131 -0.9885 0.8266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25636 8021SOL OW25634 4.355 4.582 2.254 0.1106 -0.1918 0.3506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25637 8021SOL HW125635 4.424 4.627 2.199 0.2141 -0.7719 0.0053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25638 8021SOL HW225636 4.277 4.556 2.196 -0.6949 1.0204 0.8366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25639 8022SOL OW25637 5.090 4.167 2.806 0.5729 -0.4366 0.0735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25640 8022SOL HW125638 5.075 4.155 2.904 2.0256 -0.6084 0.2934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25641 8022SOL HW225639 5.187 4.181 2.788 0.1788 1.0652 -1.1964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25642 8023SOL OW25640 5.131 5.303 2.132 -0.1474 -0.4411 -0.1517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25643 8023SOL HW125641 5.224 5.268 2.144 0.0058 -0.6055 -1.5943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25644 8023SOL HW225642 5.103 5.290 2.037 -1.5560 -0.1522 0.1969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25645 8024SOL OW25643 5.074 4.303 3.377 -0.1944 0.1387 0.0249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25646 8024SOL HW125644 5.090 4.382 3.436 -0.8502 1.0551 -0.9875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25647 8024SOL HW225645 5.122 4.223 3.414 1.1379 1.1860 0.6387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25648 8025SOL OW25646 4.537 4.703 3.359 0.4261 0.4620 -0.5478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25649 8025SOL HW125647 4.634 4.726 3.370 0.2790 0.7642 0.1634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25650 8025SOL HW225648 4.503 4.739 3.273 0.9271 0.4215 -0.7631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25651 8026SOL OW25649 4.868 4.374 2.229 0.4595 -0.4080 -0.0141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25652 8026SOL HW125650 4.912 4.430 2.300 -0.7377 -1.1444 1.3641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25653 8026SOL HW225651 4.770 4.367 2.248 0.0688 -0.4979 -1.8666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25654 8027SOL OW25652 4.573 3.803 1.981 -0.1284 -0.3574 -1.1449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25655 8027SOL HW125653 4.586 3.902 1.970 -0.0564 -0.1758 0.4073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25656 8027SOL HW225654 4.477 3.781 1.966 -0.2344 0.0199 -1.0424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25657 8028SOL OW25655 5.431 4.308 3.743 0.1996 -0.0806 0.8149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25658 8028SOL HW125656 5.416 4.242 3.670 2.4368 -0.4271 0.5931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25659 8028SOL HW225657 5.426 4.401 3.706 0.0156 -0.2106 0.5155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25660 8029SOL OW25658 4.963 4.908 2.482 0.7451 0.1579 -0.2071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25661 8029SOL HW125659 4.942 4.975 2.411 -0.4162 0.6937 0.6240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25662 8029SOL HW225660 4.901 4.920 2.560 2.0822 -0.3054 0.9817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25663 8030SOL OW25661 4.579 5.020 2.432 -0.4788 0.2531 -0.2116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25664 8030SOL HW125662 4.587 5.107 2.383 0.3377 0.0746 -0.4157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25665 8030SOL HW225663 4.542 5.037 2.524 -1.4003 0.6687 -0.6467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25666 8031SOL OW25664 4.107 5.483 2.829 -0.0876 0.2533 -0.2654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25667 8031SOL HW125665 4.183 5.506 2.768 0.6495 0.0499 0.5513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25668 8031SOL HW225666 4.097 5.554 2.898 -0.4283 0.1121 -0.1662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25669 8032SOL OW25667 5.407 4.554 2.608 0.4747 -0.2807 0.1209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25670 8032SOL HW125668 5.394 4.548 2.509 1.1432 -0.9666 0.0599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25671 8032SOL HW225669 5.332 4.606 2.649 -1.3215 -2.3094 -0.4281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25672 8033SOL OW25670 4.877 5.277 3.417 0.4637 0.0245 0.0084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25673 8033SOL HW125671 4.974 5.255 3.430 0.1768 -1.2198 0.1956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25674 8033SOL HW225672 4.833 5.203 3.367 -0.4813 0.3909 0.2864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25675 8034SOL OW25673 4.164 4.498 2.070 0.2446 -0.0718 -0.5101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25676 8034SOL HW125674 4.200 4.581 2.026 -1.5921 0.0988 -1.7946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25677 8034SOL HW225675 4.172 4.421 2.008 -2.3617 0.1669 -1.2364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25678 8035SOL OW25676 5.087 4.481 2.468 0.0870 0.2040 -0.1788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25679 8035SOL HW125677 5.089 4.488 2.568 0.7579 -1.5056 -0.0502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25680 8035SOL HW225678 5.177 4.501 2.431 0.0649 -0.0612 -0.3753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25681 8036SOL OW25679 4.772 5.463 2.089 -0.5135 -0.2771 0.3533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25682 8036SOL HW125680 4.748 5.390 2.153 0.4782 -0.4710 0.5253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25683 8036SOL HW225681 4.781 5.425 1.997 1.9558 -0.8265 0.7433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25684 8037SOL OW25682 5.302 5.018 1.711 0.0923 0.2793 0.1359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25685 8037SOL HW125683 5.350 4.935 1.740 -1.1231 0.5801 3.4418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25686 8037SOL HW225684 5.224 5.034 1.772 -0.5784 3.0781 -1.3139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25687 8038SOL OW25685 4.184 5.200 2.317 -0.0371 -0.0901 0.0747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25688 8038SOL HW125686 4.250 5.272 2.296 -0.5475 -0.0351 -1.4593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25689 8038SOL HW225687 4.188 5.130 2.245 -2.0252 0.2053 -0.3684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25690 8039SOL OW25688 5.177 3.700 2.316 0.2237 0.6590 0.0715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25691 8039SOL HW125689 5.230 3.774 2.273 1.3239 -0.0895 0.0971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25692 8039SOL HW225690 5.174 3.621 2.254 -1.0723 0.7523 -0.0200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25693 8040SOL OW25691 4.726 5.447 2.531 -0.1050 -0.0956 0.0563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25694 8040SOL HW125692 4.815 5.401 2.524 0.3987 1.0471 -1.7523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25695 8040SOL HW225693 4.671 5.402 2.601 1.2504 -1.9169 0.0391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25696 8041SOL OW25694 5.159 3.986 3.686 0.1074 -0.5834 0.2731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25697 8041SOL HW125695 5.168 3.996 3.785 0.7941 -0.7342 0.2319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25698 8041SOL HW225696 5.065 4.006 3.658 0.4888 2.0332 0.6383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25699 8042SOL OW25697 4.341 3.703 1.918 -0.3429 -0.8465 0.1284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25700 8042SOL HW125698 4.276 3.705 1.994 0.0768 -0.0116 0.4731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25701 8042SOL HW225699 4.290 3.697 1.832 -0.8137 -2.0716 0.4752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25702 8043SOL OW25700 4.492 5.394 3.173 -0.4795 -0.1518 0.5479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25703 8043SOL HW125701 4.591 5.407 3.159 -0.4307 -0.0999 0.9409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25704 8043SOL HW225702 4.457 5.467 3.232 -0.9308 0.3595 -0.3305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25705 8044SOL OW25703 5.058 4.285 3.106 0.2593 0.3691 -0.7158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25706 8044SOL HW125704 5.048 4.286 3.205 0.5029 1.1025 -0.6944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25707 8044SOL HW225705 5.116 4.361 3.077 2.0037 -1.0644 -1.2321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25708 8045SOL OW25706 4.632 5.165 2.950 0.0634 -0.6448 0.2240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25709 8045SOL HW125707 4.674 5.164 2.859 0.4223 0.6721 0.3426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25710 8045SOL HW225708 4.556 5.231 2.950 1.0609 0.5592 1.2603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25711 8046SOL OW25709 5.104 4.984 1.892 -0.2500 0.1521 -0.1336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25712 8046SOL HW125710 5.119 4.894 1.931 2.1273 0.7248 0.4033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25713 8046SOL HW225711 5.030 5.030 1.941 -1.1965 -1.2978 -0.1409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25714 8047SOL OW25712 4.708 3.688 2.185 -0.4797 -0.0026 0.3704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25715 8047SOL HW125713 4.659 3.739 2.114 -1.2204 -2.7438 -1.2407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25716 8047SOL HW225714 4.714 3.744 2.268 -2.6581 2.0183 -0.6975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25717 8048SOL OW25715 4.970 5.368 2.666 -0.6311 -0.5145 -0.3923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25718 8048SOL HW125716 4.985 5.447 2.606 -0.2717 -1.7726 -2.0316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25719 8048SOL HW225717 4.986 5.395 2.761 0.9029 1.0262 -1.0351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25720 8049SOL OW25718 4.946 5.676 2.560 0.4264 -0.8507 -0.1333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25721 8049SOL HW125719 4.888 5.619 2.503 -0.4428 -1.1595 1.0094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25722 8049SOL HW225720 4.896 5.759 2.586 1.0776 -0.3607 -0.4165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25723 8050SOL OW25721 4.671 4.103 1.928 0.0635 0.5283 -0.5383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25724 8050SOL HW125722 4.608 4.181 1.934 0.1580 0.5186 1.3070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25725 8050SOL HW225723 4.760 4.129 1.964 -0.1369 -0.6217 0.8867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25726 8051SOL OW25724 4.470 4.070 2.322 0.1390 -0.4554 -0.3754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25727 8051SOL HW125725 4.499 4.125 2.401 1.1517 -1.5939 0.0935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25728 8051SOL HW225726 4.381 4.101 2.290 -0.1725 0.2089 1.0600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25729 8052SOL OW25727 5.207 4.957 2.626 -0.7056 0.6456 0.0588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25730 8052SOL HW125728 5.119 4.919 2.598 -1.1065 1.1161 0.6727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25731 8052SOL HW225729 5.267 4.965 2.546 -0.7988 -0.7557 -0.1746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25732 8053SOL OW25730 5.186 4.615 2.743 -0.0732 0.1731 -0.1325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25733 8053SOL HW125731 5.247 4.607 2.821 0.1243 0.0056 -0.3005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25734 8053SOL HW225732 5.095 4.642 2.774 -0.0640 -0.1428 0.1840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25735 8054SOL OW25733 5.432 4.329 2.243 -0.2160 0.0761 -0.2048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25736 8054SOL HW125734 5.526 4.308 2.270 -0.0804 0.9828 0.0883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25737 8054SOL HW225735 5.397 4.258 2.183 0.2928 -0.8051 0.5233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25738 8055SOL OW25736 4.270 4.969 2.181 -0.6490 -0.3811 -0.5439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25739 8055SOL HW125737 4.200 4.909 2.141 -2.7531 1.6871 -0.1592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25740 8055SOL HW225738 4.313 4.923 2.258 0.2380 -2.6605 -2.2904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25741 8056SOL OW25739 5.363 5.017 2.422 0.0751 0.2155 -0.2957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25742 8056SOL HW125740 5.446 5.041 2.472 -0.4670 1.3226 0.1114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25743 8056SOL HW225741 5.335 5.093 2.364 -0.7546 -0.0646 -0.2828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25744 8057SOL OW25742 4.995 4.266 1.835 -0.5515 -0.2533 0.4035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25745 8057SOL HW125743 4.976 4.229 1.926 -1.1968 -1.7964 -0.3162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25746 8057SOL HW225744 5.093 4.262 1.817 0.2063 3.8104 2.5107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25747 8058SOL OW25745 5.282 4.994 3.538 0.0318 -0.2009 0.1581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25748 8058SOL HW125746 5.374 5.004 3.575 0.6676 0.4690 -1.4765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25749 8058SOL HW225747 5.286 4.947 3.450 -0.7673 2.4468 -1.4254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25750 8059SOL OW25748 4.749 5.021 3.335 -0.0396 -0.4296 0.3514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25751 8059SOL HW125749 4.653 5.039 3.315 -0.4098 0.0202 2.4151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25752 8059SOL HW225750 4.756 4.966 3.418 1.4992 -0.4113 0.2551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25753 8060SOL OW25751 5.147 5.463 3.359 -0.3168 0.2968 -0.6008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25754 8060SOL HW125752 5.097 5.524 3.420 -1.0030 -2.0986 1.3759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25755 8060SOL HW225753 5.218 5.516 3.311 -2.2277 3.0216 -0.6833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25756 8061SOL OW25754 4.842 5.007 3.089 0.2378 -0.4826 0.3569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25757 8061SOL HW125755 4.836 5.030 3.186 1.4166 -1.1518 0.6050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25758 8061SOL HW225756 4.773 5.059 3.038 -0.4018 -0.1333 1.5435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25759 8062SOL OW25757 5.299 4.832 2.865 0.0591 0.4312 -0.1641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25760 8062SOL HW125758 5.260 4.880 2.943 0.6997 0.1218 0.3555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25761 8062SOL HW225759 5.248 4.855 2.782 -1.5593 -0.3716 0.5679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25762 8063SOL OW25760 4.483 4.842 3.825 -0.2305 0.1312 -0.5126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25763 8063SOL HW125761 4.556 4.821 3.889 1.5092 0.5993 -2.2413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25764 8063SOL HW225762 4.489 4.782 3.745 -1.7990 0.1340 -0.6813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25765 8064SOL OW25763 4.645 4.711 2.352 0.2739 -0.7408 0.3275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25766 8064SOL HW125764 4.742 4.703 2.378 0.7304 0.6041 -0.8237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25767 8064SOL HW225765 4.637 4.775 2.276 -1.4576 -1.4318 -0.1051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25768 8065SOL OW25766 4.082 4.741 2.167 0.6078 -0.0062 -0.1512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25769 8065SOL HW125767 3.990 4.736 2.206 0.2827 -0.4726 -0.9697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25770 8065SOL HW225768 4.108 4.652 2.130 1.5089 0.0471 0.3379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25771 8066SOL OW25769 4.531 4.376 2.683 1.0132 0.7660 0.1595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25772 8066SOL HW125770 4.445 4.339 2.718 1.3961 -1.3547 -0.9406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25773 8066SOL HW225771 4.512 4.460 2.631 -0.4512 0.1674 -0.3467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25774 8067SOL OW25772 4.883 5.144 2.323 -0.2471 -0.5426 0.0300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25775 8067SOL HW125773 4.947 5.204 2.370 -0.0953 -1.9657 1.7039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25776 8067SOL HW225774 4.794 5.189 2.316 0.2176 0.3942 0.0649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25777 8068SOL OW25775 5.018 5.172 2.976 0.0571 -0.2825 -0.2735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25778 8068SOL HW125776 5.060 5.203 3.062 0.0713 0.4787 -0.5455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25779 8068SOL HW225777 4.954 5.098 2.996 0.3972 -0.4237 0.3375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25780 8069SOL OW25778 5.073 4.169 2.380 -0.1821 0.3461 -0.9228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25781 8069SOL HW125779 4.984 4.162 2.426 0.0352 -0.0896 -0.5627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25782 8069SOL HW225780 5.096 4.265 2.365 -0.4282 0.4757 -0.4564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25783 8070SOL OW25781 5.311 4.561 3.338 -0.9565 0.0862 -0.4264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25784 8070SOL HW125782 5.212 4.563 3.350 -0.9163 -0.4170 0.0533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25785 8070SOL HW225783 5.343 4.649 3.303 -1.5437 0.3356 -0.3348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25786 8071SOL OW25784 4.052 3.649 3.591 0.0900 -0.3612 -0.3688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25787 8071SOL HW125785 3.953 3.649 3.583 0.1473 0.2520 -1.2611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25788 8071SOL HW225786 4.086 3.555 3.580 -0.3993 -0.6107 0.2019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25789 8072SOL OW25787 4.920 4.659 2.793 -0.1133 0.0572 0.2630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25790 8072SOL HW125788 4.905 4.561 2.780 1.0471 -0.0213 -0.6192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25791 8072SOL HW225789 4.833 4.707 2.782 -0.4914 -0.7620 -0.4612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25792 8073SOL OW25790 4.942 4.157 2.064 -0.0568 -0.7146 -0.0948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25793 8073SOL HW125791 4.994 4.083 2.106 0.0734 -0.3979 0.3143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25794 8073SOL HW225792 4.906 4.217 2.136 0.8537 0.3025 -0.4677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25795 8074SOL OW25793 5.445 4.551 3.618 -0.2032 0.0948 0.5665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25796 8074SOL HW125794 5.432 4.555 3.519 -0.3024 0.0385 0.5769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25797 8074SOL HW225795 5.387 4.619 3.663 -1.1835 -0.7789 0.6772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25798 8075SOL OW25796 5.110 3.992 2.186 0.2201 0.0943 -0.1936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25799 8075SOL HW125797 5.196 3.941 2.197 0.3620 0.0436 -1.3610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25800 8075SOL HW225798 5.101 4.059 2.259 1.1736 -0.0277 0.0498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25801 8076SOL OW25799 4.674 4.477 2.903 0.4565 0.1678 0.4498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25802 8076SOL HW125800 4.695 4.433 2.990 -0.9467 -0.8799 0.3027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25803 8076SOL HW225801 4.631 4.411 2.841 4.2826 -0.0768 -2.3195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25804 8077SOL OW25802 4.538 5.088 3.748 -0.0752 -0.5143 -0.0643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25805 8077SOL HW125803 4.485 5.112 3.667 -2.4095 -0.4397 1.3749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25806 8077SOL HW225804 4.513 4.996 3.778 0.8857 -0.6120 0.4808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25807 8078SOL OW25805 5.534 5.069 3.615 0.2221 0.5495 -0.3293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25808 8078SOL HW125806 5.574 5.128 3.544 0.9213 0.5095 0.0266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25809 8078SOL HW225807 5.601 5.001 3.643 -0.3567 0.0059 -0.2577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25810 8079SOL OW25808 5.070 3.620 1.844 -0.7875 0.2602 0.2811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25811 8079SOL HW125809 5.008 3.635 1.922 0.9438 1.9706 1.4145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25812 8079SOL HW225810 5.060 3.526 1.813 -1.8399 -0.3865 2.3270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25813 8080SOL OW25811 4.859 4.510 1.796 -0.3772 -0.2027 -0.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25814 8080SOL HW125812 4.887 4.415 1.803 -0.6133 -0.3211 -0.7941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25815 8080SOL HW225813 4.890 4.548 1.708 -0.7815 0.1172 -0.1883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25816 8081SOL OW25814 4.763 5.204 2.715 -0.3040 -0.2047 -0.2879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25817 8081SOL HW125815 4.776 5.107 2.700 -1.6715 -0.5512 0.5285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25818 8081SOL HW225816 4.851 5.251 2.716 0.3567 -1.4161 -0.7638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25819 8082SOL OW25817 3.771 4.759 1.994 -0.0658 0.3251 0.0696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25820 8082SOL HW125818 3.678 4.773 1.959 0.2086 0.3376 -0.6755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25821 8082SOL HW225819 3.799 4.664 1.977 0.4118 0.5777 -0.5838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25822 8083SOL OW25820 4.400 5.367 2.849 0.6020 -0.1565 0.2905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25823 8083SOL HW125821 4.381 5.418 2.765 1.1864 -0.1117 0.1776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25824 8083SOL HW225822 4.323 5.376 2.912 0.4938 0.4729 0.0795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25825 8084SOL OW25823 4.990 4.590 3.327 -0.9168 0.3642 -0.5277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25826 8084SOL HW125824 4.922 4.605 3.398 -1.6063 -1.9058 -0.6170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25827 8084SOL HW225825 4.961 4.633 3.242 -1.4077 0.8148 -0.1362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25828 8085SOL OW25826 4.593 4.359 2.239 0.0543 0.1347 -0.1697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25829 8085SOL HW125827 4.553 4.302 2.166 1.2202 0.1761 -0.8580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25830 8085SOL HW225828 4.539 4.443 2.248 -0.8697 -0.4425 -0.0743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25831 8086SOL OW25829 5.386 4.250 2.683 -0.8618 1.0723 0.0731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25832 8086SOL HW125830 5.435 4.225 2.767 -2.2087 -1.1977 0.2874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25833 8086SOL HW225831 5.392 4.349 2.669 -0.3833 1.5159 2.7349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25834 8087SOL OW25832 4.786 5.416 3.105 -0.3506 -0.4288 -0.5009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25835 8087SOL HW125833 4.825 5.363 3.181 0.1852 2.7598 1.6255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25836 8087SOL HW225834 4.855 5.428 3.034 0.1480 -0.9382 -0.1124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25837 8088SOL OW25835 4.196 4.116 2.241 0.1847 -0.2021 -0.1262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25838 8088SOL HW125836 4.220 4.209 2.269 -0.1901 -0.0603 -0.2734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25839 8088SOL HW225837 4.123 4.119 2.173 0.5550 -0.5835 -0.5464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25840 8089SOL OW25838 4.935 4.746 3.088 0.2156 0.3958 -0.0089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25841 8089SOL HW125839 4.944 4.726 2.990 0.0837 1.1420 -0.1794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25842 8089SOL HW225840 4.862 4.813 3.102 -1.0911 -1.1263 0.7989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25843 8090SOL OW25841 4.937 4.577 2.062 -0.2300 -0.0640 -0.6153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25844 8090SOL HW125842 4.907 4.496 2.114 2.0987 -1.4677 -1.3392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25845 8090SOL HW225843 4.933 4.558 1.964 1.1448 0.3751 -0.7752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25846 8091SOL OW25844 5.606 5.474 3.095 0.2567 0.0405 0.7003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25847 8091SOL HW125845 5.667 5.519 3.029 -1.5346 1.3878 -0.1247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25848 8091SOL HW225846 5.630 5.377 3.102 1.5015 0.2101 -0.7373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25849 8092SOL OW25847 5.002 5.432 2.926 0.9796 0.0071 -0.3221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25850 8092SOL HW125848 5.086 5.486 2.930 0.1949 1.2488 -0.1083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25851 8092SOL HW225849 5.023 5.335 2.940 2.3449 0.3282 -0.0992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25852 8093SOL OW25850 4.436 5.572 3.515 -0.0207 0.1896 0.3228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25853 8093SOL HW125851 4.443 5.611 3.423 3.9114 2.2817 1.2820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25854 8093SOL HW225852 4.345 5.590 3.552 -1.8828 -1.0373 -3.1434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25855 8094SOL OW25853 5.330 3.851 2.162 -0.2222 0.3218 0.2443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25856 8094SOL HW125854 5.390 3.839 2.083 -1.1990 1.8865 -0.7900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25857 8094SOL HW225855 5.385 3.859 2.245 0.9324 0.3872 -0.5055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25858 8095SOL OW25856 5.010 5.410 2.334 -0.0446 -0.1790 0.2020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25859 8095SOL HW125857 5.044 5.355 2.257 -3.5894 -1.9568 -0.3075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25860 8095SOL HW225858 5.012 5.507 2.309 -0.3588 -0.6484 -1.8491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25861 8096SOL OW25859 4.899 4.662 2.429 0.1908 -0.4636 1.0486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25862 8096SOL HW125860 4.975 4.598 2.426 1.9313 1.5622 -0.8663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25863 8096SOL HW225861 4.933 4.755 2.442 -1.6631 0.8225 -2.0721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25864 8097SOL OW25862 4.489 5.123 3.290 0.1261 -0.2427 0.4854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25865 8097SOL HW125863 4.462 5.165 3.376 0.5116 -0.7527 0.8595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25866 8097SOL HW225864 4.472 5.187 3.215 -0.4705 0.0992 0.9025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25867 8098SOL OW25865 4.440 5.173 2.084 0.2080 -0.2022 -0.0097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25868 8098SOL HW125866 4.390 5.235 2.024 0.7268 0.3231 0.0974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25869 8098SOL HW225867 4.380 5.098 2.111 -0.7336 0.7610 0.6351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25870 8099SOL OW25868 5.301 5.350 3.080 -0.6691 -0.3760 -0.3073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25871 8099SOL HW125869 5.365 5.347 3.003 1.0875 0.1639 1.0959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25872 8099SOL HW225870 5.313 5.435 3.131 -2.5574 -0.2327 -0.0145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25873 8100SOL OW25871 5.435 3.851 2.834 -0.3292 0.1224 0.0971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25874 8100SOL HW125872 5.422 3.837 2.932 0.1263 0.5053 0.2153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25875 8100SOL HW225873 5.348 3.839 2.787 -0.7095 0.7053 0.6408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25876 8101SOL OW25874 4.836 5.299 1.841 -0.5251 -0.5297 0.1859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25877 8101SOL HW125875 4.758 5.242 1.868 -1.1031 0.1523 -0.0041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25878 8101SOL HW225876 4.845 5.296 1.741 -0.3011 -0.6198 0.2099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25879 8102SOL OW25877 4.478 4.880 3.168 0.1929 -0.4026 -0.6995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25880 8102SOL HW125878 4.523 4.887 3.080 2.7997 0.2788 0.5893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25881 8102SOL HW225879 4.486 4.967 3.217 1.0232 -1.4817 1.1835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25882 8103SOL OW25880 4.822 4.825 1.991 -0.1169 -0.0072 0.2171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25883 8103SOL HW125881 4.846 4.737 2.031 -0.3707 -0.3543 -0.3911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25884 8103SOL HW225882 4.871 4.898 2.040 0.0273 -0.4691 0.7759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25885 8104SOL OW25883 5.095 5.408 1.849 0.1951 0.3709 0.0023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25886 8104SOL HW125884 5.009 5.358 1.861 0.3964 -0.0240 -0.1819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25887 8104SOL HW225885 5.142 5.373 1.767 -0.1469 1.5518 -0.7195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25888 8105SOL OW25886 5.170 4.909 3.084 0.4468 -0.0319 -0.4387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25889 8105SOL HW125887 5.147 5.001 3.117 1.5362 0.0782 0.0607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25890 8105SOL HW225888 5.088 4.852 3.087 0.0137 0.5998 0.3785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25891 8106SOL OW25889 4.773 4.941 2.681 0.5071 0.3159 0.2785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25892 8106SOL HW125890 4.754 4.890 2.765 1.5567 -1.4224 -0.4846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25893 8106SOL HW225891 4.691 4.941 2.623 0.5240 -0.6317 0.2383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25894 8107SOL OW25892 4.195 5.050 2.540 0.4202 -0.4373 -0.4446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25895 8107SOL HW125893 4.229 4.961 2.511 -2.2997 -1.4499 -0.7862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25896 8107SOL HW225894 4.199 5.114 2.463 3.5827 0.2338 0.1327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25897 8108SOL OW25895 5.259 4.088 3.305 0.7471 0.4189 -0.1378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25898 8108SOL HW125896 5.232 4.172 3.258 0.3667 0.7568 0.6703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25899 8108SOL HW225897 5.193 4.016 3.286 -0.9567 1.2955 2.0009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25900 8109SOL OW25898 3.805 4.818 2.245 0.3739 -0.9248 0.2292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25901 8109SOL HW125899 3.798 4.794 2.149 -1.2602 -0.0924 0.1024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25902 8109SOL HW225900 3.774 4.913 2.258 1.7497 -0.6015 1.4059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25903 8110SOL OW25901 3.777 3.975 1.860 -0.7194 0.7736 -0.8297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25904 8110SOL HW125902 3.707 3.906 1.840 -1.3430 0.8522 0.9153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25905 8110SOL HW225903 3.838 3.941 1.931 -0.2778 1.5349 -0.8373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25906 8111SOL OW25904 5.194 4.518 3.049 0.0854 0.6021 -0.1839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25907 8111SOL HW125905 5.168 4.612 3.068 0.6839 1.1003 -1.7023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25908 8111SOL HW225906 5.279 4.516 2.996 0.3196 -0.8054 0.1821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25909 8112SOL OW25907 3.918 3.906 2.076 0.7355 0.0419 -0.1082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25910 8112SOL HW125908 3.941 4.003 2.088 0.7042 0.3789 -2.4328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25911 8112SOL HW225909 4.002 3.852 2.077 0.8730 0.2526 -0.1306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25912 8113SOL OW25910 4.937 5.075 2.059 0.3313 0.0107 -0.5152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25913 8113SOL HW125911 4.850 5.111 2.025 -0.1999 -1.6977 -1.0903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25914 8113SOL HW225912 4.941 5.088 2.158 0.3632 1.9430 -0.7274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25915 8114SOL OW25913 5.197 5.626 2.881 -1.1968 0.4480 -0.2872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25916 8114SOL HW125914 5.228 5.614 2.787 -1.0603 -0.9276 -0.0946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25917 8114SOL HW225915 5.274 5.650 2.939 -0.9279 -0.4462 -0.2481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25918 8115SOL OW25916 5.013 4.883 3.598 0.0754 -0.0096 0.5788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25919 8115SOL HW125917 5.042 4.839 3.682 -0.8528 -1.4207 0.1912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25920 8115SOL HW225918 5.093 4.918 3.549 0.6166 0.8922 2.0403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25921 8116SOL OW25919 3.975 5.724 3.581 0.2849 0.3746 0.5439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25922 8116SOL HW125920 3.938 5.806 3.626 2.3882 0.6551 1.9358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25923 8116SOL HW225921 3.920 5.645 3.607 0.4063 0.8089 2.3047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25924 8117SOL OW25922 5.415 4.532 2.902 0.8587 0.3138 -0.7842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25925 8117SOL HW125923 5.483 4.460 2.893 1.1654 0.7487 -2.0765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25926 8117SOL HW225924 5.443 4.612 2.849 -1.1241 0.1397 -2.1968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25927 8118SOL OW25925 4.874 3.913 2.608 0.5018 -0.2750 0.3554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25928 8118SOL HW125926 4.878 3.866 2.520 -0.4912 -1.5785 0.9679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25929 8118SOL HW225927 4.881 4.011 2.593 -2.3032 -0.2399 -1.4674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25930 8119SOL OW25928 4.264 4.349 2.352 0.2787 0.3433 -0.0463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25931 8119SOL HW125929 4.300 4.436 2.318 0.5795 0.6468 1.0029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25932 8119SOL HW225930 4.243 4.357 2.450 -2.7255 0.1872 -0.5905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25933 8120SOL OW25931 5.358 4.116 3.568 -0.1207 -0.1204 0.1586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25934 8120SOL HW125932 5.344 4.129 3.470 -1.1169 2.1005 0.5179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25935 8120SOL HW225933 5.277 4.071 3.607 -0.5584 0.6784 0.2073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25936 8121SOL OW25934 5.353 4.834 3.289 0.1944 0.0700 0.2700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25937 8121SOL HW125935 5.452 4.834 3.270 0.0492 -0.8919 -0.5610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25938 8121SOL HW225936 5.304 4.860 3.205 -0.2834 0.0932 0.5566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25939 8122SOL OW25937 4.637 5.143 1.914 0.4300 -0.1744 -0.0553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25940 8122SOL HW125938 4.561 5.164 1.975 -0.6610 -1.7962 -0.7862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25941 8122SOL HW225939 4.611 5.068 1.853 2.0859 0.2569 -1.3633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25942 8123SOL OW25940 4.272 5.587 2.664 -0.1440 -0.3068 -0.1643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25943 8123SOL HW125941 4.256 5.685 2.679 -0.3580 -0.3384 -0.1899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25944 8123SOL HW225942 4.249 5.564 2.570 1.8830 0.0421 -0.7928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25945 8124SOL OW25943 4.653 4.757 2.858 0.1637 0.0395 0.6086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25946 8124SOL HW125944 4.643 4.660 2.877 -1.4024 0.1987 0.7160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25947 8124SOL HW225945 4.563 4.797 2.837 0.6509 1.6169 1.3368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25948 8125SOL OW25946 4.603 4.588 1.866 0.2787 -0.7659 -0.4501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25949 8125SOL HW125947 4.552 4.617 1.785 -0.0687 0.4253 0.1770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25950 8125SOL HW225948 4.698 4.571 1.841 0.6688 1.5951 -0.7391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25951 8126SOL OW25949 5.459 5.370 2.615 0.2168 -0.2448 -0.5405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25952 8126SOL HW125950 5.378 5.337 2.568 -0.3228 -0.4199 0.4756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25953 8126SOL HW225951 5.473 5.317 2.699 0.7953 0.4361 -0.1889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25954 8127SOL OW25952 4.408 5.222 3.516 1.1475 0.1662 -0.1628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25955 8127SOL HW125953 4.312 5.202 3.499 0.8824 -1.4559 2.7600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25956 8127SOL HW225954 4.420 5.321 3.527 -0.1428 0.3927 -0.6527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25957 8128SOL OW25955 5.522 4.076 3.076 -0.4693 0.1554 0.1500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25958 8128SOL HW125956 5.518 4.139 3.155 -1.1983 -0.3026 0.4907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25959 8128SOL HW225957 5.602 4.017 3.085 0.0128 0.7722 0.0214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25960 8129SOL OW25958 5.509 5.257 2.854 -0.2600 0.2021 -0.5723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25961 8129SOL HW125959 5.440 5.186 2.838 -0.8071 0.5970 0.0181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25962 8129SOL HW225960 5.588 5.216 2.900 -1.3247 0.3012 1.4404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25963 8130SOL OW25961 4.454 5.086 2.654 0.8329 0.2085 -0.0562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25964 8130SOL HW125962 4.360 5.084 2.619 1.3071 -0.6002 -1.3549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25965 8130SOL HW225963 4.472 5.175 2.695 0.2546 1.2841 -1.9947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25966 8131SOL OW25964 5.326 3.846 3.079 -0.0691 0.0352 0.2611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25967 8131SOL HW125965 5.242 3.844 3.134 -0.6719 -0.7670 -0.6503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25968 8131SOL HW225966 5.373 3.933 3.094 -0.5057 0.0585 1.6037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25969 8132SOL OW25967 4.363 4.835 2.396 0.5472 0.5518 -0.7992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25970 8132SOL HW125968 4.458 4.846 2.428 -0.0134 0.2752 1.1139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25971 8132SOL HW225969 4.353 4.746 2.353 0.5094 -0.8279 1.8310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25972 8133SOL OW25970 4.202 5.429 3.199 0.5017 0.1831 -0.2363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25973 8133SOL HW125971 4.192 5.521 3.237 -2.2257 0.0420 -0.4170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25974 8133SOL HW225972 4.299 5.409 3.186 1.2290 2.5614 0.8944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25975 8134SOL OW25973 4.925 3.613 2.058 0.4465 0.0615 -0.5088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25976 8134SOL HW125974 4.913 3.522 2.019 2.4833 -0.4671 -0.0178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25977 8134SOL HW225975 4.844 3.637 2.111 -0.3116 -1.2651 -1.0059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25978 8135SOL OW25976 4.918 4.189 2.601 -0.2291 -0.0624 1.2274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25979 8135SOL HW125977 4.867 4.275 2.605 1.7479 1.5217 -2.4311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25980 8135SOL HW225978 4.981 4.184 2.678 0.1276 2.1737 1.1572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25981 8136SOL OW25979 5.161 3.905 2.711 -0.1632 0.0924 -0.0425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25982 8136SOL HW125980 5.068 3.942 2.705 0.4475 1.5889 -0.7752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25983 8136SOL HW225981 5.218 3.948 2.641 0.7153 -1.9658 -0.6677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25984 8137SOL OW25982 3.794 4.448 1.967 0.4329 0.4466 0.4809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25985 8137SOL HW125983 3.788 4.438 2.066 -3.1730 0.3825 0.3979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25986 8137SOL HW225984 3.744 4.373 1.923 1.7741 0.5919 -1.3972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25987 8138SOL OW25985 4.651 5.262 2.254 0.0115 -0.1541 0.1362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25988 8138SOL HW125986 4.591 5.227 2.182 0.1075 -0.1909 0.0734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25989 8138SOL HW225987 4.603 5.332 2.306 0.2280 0.4782 -0.4967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25990 8139SOL OW25988 4.144 5.169 4.993 -0.1895 -0.5482 0.1347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25991 8139SOL HW125989 4.067 5.212 4.946 -1.2792 -1.1383 1.3226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25992 8139SOL HW225990 4.217 5.236 5.005 -0.1190 -0.2153 -1.8017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25993 8140SOL OW25991 5.103 4.995 4.429 -0.3010 0.0861 0.2004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25994 8140SOL HW125992 5.125 5.021 4.523 -0.9768 1.2107 0.0615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25995 8140SOL HW225993 5.106 5.076 4.370 0.0196 -0.5897 -0.7419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25996 8141SOL OW25994 4.771 4.300 4.369 -0.3242 -0.0395 0.0302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25997 8141SOL HW125995 4.843 4.328 4.305 -0.6014 0.1365 -0.2108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25998 8141SOL HW225996 4.805 4.307 4.462 -1.0162 3.2665 0.1693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
25999 8142SOL OW25997 5.442 4.189 4.048 0.2795 0.0475 -0.2579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26000 8142SOL HW125998 5.459 4.180 3.949 -0.0901 -1.8287 -0.1864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26001 8142SOL HW225999 5.467 4.104 4.094 0.8775 1.0577 1.3560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26002 8143SOL OW26000 4.270 5.055 4.790 0.4128 0.1166 -0.1372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26003 8143SOL HW126001 4.213 5.102 4.857 -0.3319 -0.9746 0.0227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26004 8143SOL HW226002 4.312 5.122 4.729 -0.0946 1.0213 0.4854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26005 8144SOL OW26003 4.938 4.489 5.688 0.2592 0.1856 0.0242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26006 8144SOL HW126004 4.898 4.423 5.752 -1.2920 2.0622 1.1018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26007 8144SOL HW226005 4.920 4.582 5.720 3.3325 1.2093 -0.8344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26008 8145SOL OW26006 4.345 4.582 4.500 -0.5756 0.0447 -0.0544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26009 8145SOL HW126007 4.328 4.521 4.578 -0.9161 -0.0544 -0.2018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26010 8145SOL HW226008 4.307 4.672 4.521 -0.5168 0.0645 -0.0353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26011 8146SOL OW26009 4.372 4.892 5.570 0.5418 0.1927 -0.2261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26012 8146SOL HW126010 4.388 4.904 5.668 0.3334 2.0754 -0.3833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26013 8146SOL HW226011 4.274 4.900 5.552 0.6823 0.9325 -0.6963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26014 8147SOL OW26012 3.863 5.110 4.843 -0.6291 -0.6241 0.0135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26015 8147SOL HW126013 3.902 5.021 4.865 0.2440 0.0312 1.2815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26016 8147SOL HW226014 3.907 5.146 4.760 1.1803 -0.1415 1.1088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26017 8148SOL OW26015 5.178 5.149 5.071 0.0967 0.1358 -0.2219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26018 8148SOL HW126016 5.217 5.219 5.011 2.9803 0.8155 2.1984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26019 8148SOL HW226017 5.127 5.193 5.144 1.6226 -0.2031 1.1094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26020 8149SOL OW26018 5.102 4.104 4.571 -1.0239 -0.3052 -0.0446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26021 8149SOL HW126019 5.038 4.178 4.590 0.7644 1.2933 0.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26022 8149SOL HW226020 5.180 4.140 4.520 0.3551 -1.9160 0.8230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26023 8150SOL OW26021 3.998 5.366 4.318 -0.5417 -0.6701 -0.2115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26024 8150SOL HW126022 4.034 5.455 4.292 1.8646 -1.2614 0.7924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26025 8150SOL HW226023 3.966 5.369 4.413 0.7693 -1.1345 0.2769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26026 8151SOL OW26024 4.763 5.143 5.443 -0.8151 -0.4250 -0.3689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26027 8151SOL HW126025 4.776 5.204 5.521 -0.0643 0.6678 -1.3095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26028 8151SOL HW226026 4.815 5.059 5.457 0.8272 0.5298 -0.4763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26029 8152SOL OW26027 3.698 5.039 4.557 0.2240 0.2316 -0.4317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26030 8152SOL HW126028 3.644 5.085 4.627 1.2886 2.7812 -1.1754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26031 8152SOL HW226029 3.643 5.029 4.474 -0.3980 -0.9864 0.1094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26032 8153SOL OW26030 4.224 4.806 4.597 -0.4990 -0.1800 0.0274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26033 8153SOL HW126031 4.138 4.768 4.631 -1.4172 1.2643 -0.5466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26034 8153SOL HW226032 4.256 4.877 4.660 -0.4435 0.2084 -0.4339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26035 8154SOL OW26033 4.297 5.533 5.373 0.8502 0.1293 -0.6431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26036 8154SOL HW126034 4.214 5.588 5.367 2.3099 2.6557 0.3255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26037 8154SOL HW226035 4.362 5.563 5.303 1.6513 -0.4401 -0.1603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26038 8155SOL OW26036 5.390 3.700 5.118 -0.6477 -0.1805 0.2122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26039 8155SOL HW126037 5.402 3.773 5.050 -0.0329 -1.3202 -0.9480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26040 8155SOL HW226038 5.356 3.740 5.203 -0.4319 1.4450 -0.4118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26041 8156SOL OW26039 5.574 5.481 4.033 0.3673 0.3437 -0.0310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26042 8156SOL HW126040 5.667 5.460 4.064 0.1719 -1.6089 -0.6254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26043 8156SOL HW226041 5.575 5.567 3.982 1.5467 1.1392 1.2517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26044 8157SOL OW26042 5.492 4.521 4.300 0.2027 -0.0679 -0.5322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26045 8157SOL HW126043 5.462 4.616 4.302 0.6360 0.0641 1.8786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26046 8157SOL HW226044 5.413 4.460 4.306 0.0404 0.1632 -0.3458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26047 8158SOL OW26045 5.366 4.755 4.215 -0.2278 -0.3243 -0.1038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26048 8158SOL HW126046 5.441 4.803 4.260 -1.1379 0.0969 1.0247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26049 8158SOL HW226047 5.370 4.772 4.117 0.8222 0.1401 -0.0003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26050 8159SOL OW26048 3.760 4.619 5.210 0.4805 -0.9485 0.0832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26051 8159SOL HW126049 3.836 4.683 5.196 0.4343 -0.9069 0.0244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26052 8159SOL HW226050 3.693 4.629 5.136 0.5285 -1.1442 0.0127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26053 8160SOL OW26051 4.170 5.098 4.406 1.1840 0.0209 -0.3230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26054 8160SOL HW126052 4.251 5.071 4.354 0.5221 0.3257 -1.5466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26055 8160SOL HW226053 4.141 5.190 4.379 0.0796 -0.3180 -0.3487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26056 8161SOL OW26054 4.714 4.894 5.180 0.0936 0.2837 0.2125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26057 8161SOL HW126055 4.710 4.979 5.128 1.0795 1.6452 2.2110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26058 8161SOL HW226056 4.810 4.872 5.201 -0.2254 -0.5949 0.8397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26059 8162SOL OW26057 4.050 4.892 4.869 -0.8673 -0.4392 -0.5502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26060 8162SOL HW126058 4.144 4.901 4.837 -0.7685 -0.4257 -0.2573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26061 8162SOL HW226059 4.006 4.815 4.822 -1.2730 0.6400 -2.0032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26062 8163SOL OW26060 5.260 4.567 3.896 -0.2733 -0.3372 0.3549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26063 8163SOL HW126061 5.223 4.476 3.878 -0.3710 -0.2695 0.2127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26064 8163SOL HW226062 5.351 4.558 3.935 -1.2525 -0.5732 2.7413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26065 8164SOL OW26063 5.108 5.835 5.418 -0.5894 -0.1961 -0.0789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26066 8164SOL HW126064 5.132 5.863 5.325 -1.9700 -1.2655 -0.8070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26067 8164SOL HW226065 5.180 5.862 5.481 -0.8668 3.0225 -0.9982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26068 8165SOL OW26066 4.090 4.041 5.421 -0.7890 0.6794 0.5907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26069 8165SOL HW126067 4.128 4.111 5.482 -1.5279 2.2602 -0.7143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26070 8165SOL HW226068 4.145 3.958 5.429 -0.8748 0.7842 3.4175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26071 8166SOL OW26069 5.173 5.083 4.694 0.0404 0.0285 -0.0925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26072 8166SOL HW126070 5.140 5.055 4.784 -0.8161 1.0161 -0.0799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26073 8166SOL HW226071 5.260 5.037 4.674 1.4180 1.4641 2.1995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26074 8167SOL OW26072 5.289 5.684 4.207 0.0986 0.2719 -0.5413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26075 8167SOL HW126073 5.241 5.676 4.295 1.9324 -1.5592 0.3875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26076 8167SOL HW226074 5.229 5.652 4.134 -0.1375 -2.0972 0.5918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26077 8168SOL OW26075 4.787 3.912 4.578 0.6291 0.0150 -0.2012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26078 8168SOL HW126076 4.852 3.973 4.532 -0.2904 -0.1071 -1.7382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26079 8168SOL HW226077 4.829 3.874 4.660 3.6172 -2.3037 -2.5530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26080 8169SOL OW26078 5.313 5.307 4.128 0.3837 0.2338 0.6690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26081 8169SOL HW126079 5.404 5.340 4.102 0.5481 -0.3063 0.5569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26082 8169SOL HW226080 5.285 5.234 4.066 0.7358 -0.9896 1.9069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26083 8170SOL OW26081 4.315 4.344 5.059 -0.3652 -0.2635 0.3738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26084 8170SOL HW126082 4.334 4.334 5.157 -1.2698 3.1669 1.0507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26085 8170SOL HW226083 4.243 4.413 5.047 0.4782 0.1952 -2.7743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26086 8171SOL OW26084 5.153 4.159 5.479 -0.6626 0.4229 0.1499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26087 8171SOL HW126085 5.120 4.113 5.562 0.8130 0.5079 0.8155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26088 8171SOL HW226086 5.237 4.115 5.447 -0.7338 0.9441 -0.8015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26089 8172SOL OW26087 4.595 4.571 5.310 -0.1202 -0.1148 0.2022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26090 8172SOL HW126088 4.601 4.524 5.222 -0.9193 -1.5079 0.8503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26091 8172SOL HW226089 4.524 4.642 5.306 -0.0214 -0.0438 -0.3160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26092 8173SOL OW26090 4.510 4.186 4.960 0.6245 -0.4686 0.3312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26093 8173SOL HW126091 4.436 4.240 5.000 0.8267 -0.8261 1.2151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26094 8173SOL HW226092 4.500 4.090 4.987 0.9280 -0.6669 -0.2471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26095 8174SOL OW26093 3.952 5.758 5.544 0.1543 -0.2225 0.2191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26096 8174SOL HW126094 3.912 5.670 5.567 0.0097 0.3548 2.3483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26097 8174SOL HW226095 3.882 5.829 5.551 0.3149 0.1191 -1.2784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26098 8175SOL OW26096 4.697 3.955 3.950 0.9186 0.1453 0.0480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26099 8175SOL HW126097 4.787 3.936 3.911 0.1494 0.0254 -1.7636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26100 8175SOL HW226098 4.626 3.912 3.894 -0.4010 1.9700 0.2097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26101 8176SOL OW26099 5.428 4.382 5.611 -0.3819 -0.4186 0.1727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26102 8176SOL HW126100 5.434 4.481 5.615 1.2946 -0.4557 -0.7635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26103 8176SOL HW226101 5.407 4.353 5.518 -0.9824 -0.9581 0.4621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26104 8177SOL OW26102 5.095 4.850 4.203 -0.5306 1.1035 -0.3333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26105 8177SOL HW126103 5.172 4.789 4.220 0.0476 2.0987 0.6935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26106 8177SOL HW226104 5.087 4.916 4.277 -3.4355 -0.0403 0.4952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26107 8178SOL OW26105 4.808 5.152 4.243 0.1418 0.6885 0.6106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26108 8178SOL HW126106 4.761 5.233 4.208 -0.2185 0.9267 1.6218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26109 8178SOL HW226107 4.852 5.174 4.330 0.5657 -0.0394 0.5859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26110 8179SOL OW26108 4.408 5.556 4.395 -0.1524 0.0106 0.0472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26111 8179SOL HW126109 4.486 5.562 4.457 1.3771 -0.7187 -1.7015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26112 8179SOL HW226110 4.404 5.639 4.339 0.1924 -0.5171 -0.7710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26113 8180SOL OW26111 5.366 4.702 4.547 0.3752 -0.3841 -0.1426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26114 8180SOL HW126112 5.392 4.613 4.584 1.2270 0.2111 0.7133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26115 8180SOL HW226113 5.272 4.697 4.513 0.8653 -1.9861 -1.3789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26116 8181SOL OW26114 4.984 5.169 5.285 0.5277 0.2616 -0.4535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26117 8181SOL HW126115 4.897 5.177 5.334 0.1465 -0.5157 -0.9802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26118 8181SOL HW226116 5.055 5.218 5.335 -0.1233 0.5514 0.2058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26119 8182SOL OW26117 5.113 4.393 4.412 -0.3297 0.1155 0.6789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26120 8182SOL HW126118 5.168 4.380 4.494 0.1121 1.0730 0.5483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26121 8182SOL HW226119 5.171 4.387 4.331 -0.4671 0.8295 0.5233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26122 8183SOL OW26120 4.100 4.936 5.558 0.0609 -0.6219 0.1223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26123 8183SOL HW126121 4.047 4.969 5.479 0.2648 1.4435 0.7792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26124 8183SOL HW226122 4.042 4.937 5.639 0.6178 0.0192 0.5206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26125 8184SOL OW26123 4.906 5.376 3.972 -0.2305 0.2548 0.3625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26126 8184SOL HW126124 4.816 5.388 4.014 0.5551 0.4774 2.0637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26127 8184SOL HW226125 4.911 5.286 3.929 -0.5520 -0.6638 2.1726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26128 8185SOL OW26126 5.367 4.835 3.925 -0.3188 -0.7389 0.2808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26129 8185SOL HW126127 5.308 4.915 3.907 -0.0888 -0.8781 -1.2384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26130 8185SOL HW226128 5.318 4.752 3.901 0.8682 -0.7935 -2.2376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26131 8186SOL OW26129 4.331 5.243 4.089 0.0353 -0.0475 -0.3909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26132 8186SOL HW126130 4.277 5.309 4.141 0.9158 1.5655 -1.4342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26133 8186SOL HW226131 4.343 5.277 3.995 0.3360 -1.8203 -1.0284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26134 8187SOL OW26132 5.227 3.824 4.140 -0.0236 -0.1287 0.7320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26135 8187SOL HW126133 5.281 3.741 4.131 0.5260 0.0927 1.7964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26136 8187SOL HW226134 5.165 3.816 4.218 0.6783 0.7713 1.4205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26137 8188SOL OW26135 3.835 5.499 5.035 -0.8319 0.3065 0.3736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26138 8188SOL HW126136 3.844 5.505 5.134 -2.3875 1.6427 0.4787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26139 8188SOL HW226137 3.780 5.418 5.011 -1.1971 0.4699 0.6589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26140 8189SOL OW26138 4.610 5.293 4.762 -0.2798 -0.2338 0.9389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26141 8189SOL HW126139 4.698 5.264 4.798 0.7757 -0.9673 -1.9124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26142 8189SOL HW226140 4.575 5.223 4.699 -3.1697 -0.1786 2.3203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26143 8190SOL OW26141 5.382 3.798 5.386 0.0504 -0.5450 -0.6254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26144 8190SOL HW126142 5.326 3.807 5.468 -1.4304 0.7317 -1.7212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26145 8190SOL HW226143 5.417 3.704 5.380 -0.4480 -0.8717 1.0441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26146 8191SOL OW26144 4.305 3.854 5.466 -0.6294 0.1905 -0.3184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26147 8191SOL HW126145 4.398 3.850 5.504 -0.6095 1.4624 -0.1963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26148 8191SOL HW226146 4.244 3.796 5.520 0.3495 -1.8035 -1.2318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26149 8192SOL OW26147 4.358 5.428 4.718 -0.0136 0.2436 -0.2571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26150 8192SOL HW126148 4.374 5.526 4.732 -0.1984 0.3287 -0.6404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26151 8192SOL HW226149 4.442 5.378 4.737 -0.3950 0.2926 1.7491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26152 8193SOL OW26150 5.153 4.169 5.114 0.4683 0.2539 0.0543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26153 8193SOL HW126151 5.250 4.151 5.101 0.4270 0.6758 -0.9111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26154 8193SOL HW226152 5.136 4.194 5.209 1.5447 1.5896 -0.0799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26155 8194SOL OW26153 4.506 5.106 4.593 -0.1627 -0.5023 -0.7817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26156 8194SOL HW126154 4.583 5.043 4.603 0.9763 0.9796 0.2684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26157 8194SOL HW226155 4.491 5.126 4.497 0.7551 -0.8273 -0.9939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26158 8195SOL OW26156 4.498 4.254 4.464 0.0514 0.4265 -0.0406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26159 8195SOL HW126157 4.435 4.305 4.406 -0.2878 2.4476 1.9330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26160 8195SOL HW226158 4.590 4.290 4.454 -0.1108 1.2024 1.0364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26161 8196SOL OW26159 5.046 4.731 3.857 0.6150 0.2350 0.1888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26162 8196SOL HW126160 5.128 4.681 3.885 0.0857 -1.3417 -0.9493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26163 8196SOL HW226161 4.982 4.735 3.934 1.8030 1.6975 1.1700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26164 8197SOL OW26162 4.659 4.038 4.196 0.6456 0.3529 -0.4271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26165 8197SOL HW126163 4.671 4.011 4.100 0.1551 -0.7837 -0.1873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26166 8197SOL HW226164 4.747 4.036 4.243 1.0476 1.8468 -1.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26167 8198SOL OW26165 4.632 4.237 5.416 -0.4969 -0.2878 0.2554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26168 8198SOL HW126166 4.685 4.159 5.383 0.6492 -0.3173 2.0471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26169 8198SOL HW226167 4.693 4.315 5.432 -1.5536 0.8686 -1.0676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26170 8199SOL OW26168 4.862 5.142 4.512 -0.1184 0.1653 -0.4006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26171 8199SOL HW126169 4.932 5.076 4.485 -1.1639 -1.0445 -0.2139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26172 8199SOL HW226170 4.883 5.176 4.604 0.6162 0.3744 -0.6370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26173 8200SOL OW26171 4.987 5.450 4.345 0.1866 -0.2017 0.6810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26174 8200SOL HW126172 5.070 5.499 4.370 -0.4709 0.3721 1.7849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26175 8200SOL HW226173 4.923 5.451 4.421 0.4499 -3.4943 1.0900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26176 8201SOL OW26174 5.094 4.728 4.487 0.7326 -0.3060 -0.3093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26177 8201SOL HW126175 5.047 4.671 4.419 1.4040 0.4253 -1.4134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26178 8201SOL HW226176 5.090 4.824 4.458 -0.3281 0.2380 1.4843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26179 8202SOL OW26177 5.242 4.361 4.631 -0.4396 -0.0068 0.1358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26180 8202SOL HW126178 5.338 4.380 4.649 -0.7228 1.7134 0.0478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26181 8202SOL HW226179 5.189 4.374 4.715 -0.6227 -0.7082 0.1299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26182 8203SOL OW26180 5.290 4.344 4.219 -0.9452 0.1548 0.2718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26183 8203SOL HW126181 5.332 4.281 4.284 -1.5166 0.0288 0.5289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26184 8203SOL HW226182 5.338 4.340 4.132 1.2692 1.9407 1.2984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26185 8204SOL OW26183 4.409 5.308 3.847 0.1384 -0.3229 0.4320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26186 8204SOL HW126184 4.449 5.398 3.863 -0.5526 -0.3963 2.8632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26187 8204SOL HW226185 4.483 5.243 3.827 1.0285 0.0767 2.2319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26188 8205SOL OW26186 5.469 5.086 4.279 0.1573 0.3197 -0.1048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26189 8205SOL HW126187 5.546 5.025 4.297 0.6773 0.5797 -1.3261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26190 8205SOL HW226188 5.384 5.042 4.307 0.8018 0.4025 2.1444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26191 8206SOL OW26189 5.171 4.317 3.835 -0.3992 0.1229 -0.4623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26192 8206SOL HW126190 5.178 4.263 3.918 1.0493 -1.1090 -1.3290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26193 8206SOL HW226191 5.253 4.302 3.779 -1.4485 0.7242 -2.2225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26194 8207SOL OW26192 5.613 4.919 5.312 0.4273 -0.1715 0.1597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26195 8207SOL HW126193 5.669 4.841 5.284 -0.0105 -0.5207 0.2459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26196 8207SOL HW226194 5.581 4.968 5.231 2.1943 1.0012 0.1352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26197 8208SOL OW26195 4.514 5.015 4.917 0.3004 -0.0419 0.7735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26198 8208SOL HW126196 4.503 5.085 4.847 -0.1654 1.3823 2.2064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26199 8208SOL HW226197 4.482 5.051 5.005 1.5908 -1.4957 1.8831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26200 8209SOL OW26198 5.203 5.311 5.411 -0.3054 -0.1275 0.8409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26201 8209SOL HW126199 5.259 5.386 5.375 -0.2116 1.1460 3.3967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26202 8209SOL HW226200 5.262 5.234 5.433 -0.0148 0.0220 0.6013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26203 8210SOL OW26201 4.642 4.788 4.825 0.1668 -0.3473 0.3038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26204 8210SOL HW126202 4.569 4.843 4.867 0.8710 1.0038 -0.1907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26205 8210SOL HW226203 4.654 4.817 4.730 1.9580 0.0845 0.6399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26206 8211SOL OW26204 5.099 4.724 4.764 0.4625 -0.2531 -0.9809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26207 8211SOL HW126205 5.015 4.740 4.816 1.7681 -1.2398 1.6204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26208 8211SOL HW226206 5.078 4.719 4.667 -1.9445 2.9578 -0.7527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26209 8212SOL OW26207 4.560 3.917 5.062 0.0369 -0.1465 0.3736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26210 8212SOL HW126208 4.583 3.879 4.973 0.1607 -0.4953 0.5549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26211 8212SOL HW226209 4.644 3.930 5.115 0.0516 0.8358 0.1326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26212 8213SOL OW26210 4.629 4.765 5.514 -0.1338 -0.1336 -0.5444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26213 8213SOL HW126211 4.540 4.809 5.508 -0.6953 -1.4090 -2.8860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26214 8213SOL HW226212 4.626 4.678 5.465 1.9940 -0.9383 0.6414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26215 8214SOL OW26213 4.550 4.727 4.383 -0.3501 -0.3396 0.3729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26216 8214SOL HW126214 4.474 4.675 4.422 -0.2126 -0.2103 0.8175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26217 8214SOL HW226215 4.633 4.710 4.435 -0.0983 -0.3757 -0.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26218 8215SOL OW26216 4.151 4.606 5.032 -0.2841 0.7023 0.5154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26219 8215SOL HW126217 4.170 4.704 5.036 -1.4764 0.9971 -0.5172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26220 8215SOL HW226218 4.111 4.583 4.944 -1.6906 -0.3981 1.3972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26221 8216SOL OW26219 4.969 4.012 5.017 -0.0341 -0.0547 -0.8673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26222 8216SOL HW126220 5.048 4.058 5.057 0.6605 -0.2016 -2.0237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26223 8216SOL HW226221 4.894 4.078 5.006 -0.4057 -0.1041 1.0090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26224 8217SOL OW26222 3.696 5.273 4.967 0.6914 0.2578 -0.2781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26225 8217SOL HW126223 3.633 5.299 4.894 -1.2334 -3.8336 -0.3324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26226 8217SOL HW226224 3.767 5.213 4.931 0.9167 -0.1743 0.8430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26227 8218SOL OW26225 4.032 4.441 4.641 -0.0607 0.5469 -0.2503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26228 8218SOL HW126226 3.969 4.364 4.632 0.4117 0.3207 -1.9919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26229 8218SOL HW226227 4.123 4.407 4.662 0.0340 0.6647 -0.4662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26230 8219SOL OW26228 4.982 5.041 4.057 0.3629 -0.1972 -0.5168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26231 8219SOL HW126229 5.025 4.958 4.093 0.1427 -0.2330 -0.3316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26232 8219SOL HW226230 4.918 5.076 4.125 0.4721 0.1375 -0.5857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26233 8220SOL OW26231 5.012 5.006 4.905 0.5434 -0.1776 0.1949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26234 8220SOL HW126232 5.068 5.036 4.983 2.2692 -0.3122 -0.9368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26235 8220SOL HW226233 4.988 4.910 4.918 -1.0672 0.3639 1.5852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26236 8221SOL OW26234 5.460 3.968 4.198 0.3271 -0.3021 0.5732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26237 8221SOL HW126235 5.540 3.924 4.159 0.0080 -0.0756 -0.3649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26238 8221SOL HW226236 5.380 3.908 4.187 0.7399 -1.6459 3.6814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26239 8222SOL OW26237 4.121 5.446 4.600 -0.1036 -0.2834 -0.9560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26240 8222SOL HW126238 4.085 5.354 4.588 -0.1187 -0.4084 -0.0169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26241 8222SOL HW226239 4.213 5.441 4.639 -0.6750 0.1212 0.4810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26242 8223SOL OW26240 3.964 4.438 5.151 0.2911 -0.8860 0.1916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26243 8223SOL HW126241 4.039 4.503 5.133 1.0878 -0.8840 2.9931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26244 8223SOL HW226242 3.883 4.489 5.181 0.5017 -1.0830 1.1237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26245 8224SOL OW26243 5.328 4.646 5.531 -0.2494 -0.2086 -0.7046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26246 8224SOL HW126244 5.271 4.574 5.492 -0.3401 0.0801 -1.1121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26247 8224SOL HW226245 5.314 4.731 5.480 -0.1644 0.1030 -0.2098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26248 8225SOL OW26246 4.576 3.795 5.549 -0.1105 0.5257 0.5066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26249 8225SOL HW126247 4.646 3.864 5.571 1.4897 -1.2168 1.2005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26250 8225SOL HW226248 4.619 3.721 5.496 -1.7765 0.0641 -0.2443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26251 8226SOL OW26249 3.937 3.685 5.566 -0.4445 -0.3734 0.1468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26252 8226SOL HW126250 3.884 3.608 5.531 0.2713 -0.5518 -0.5866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26253 8226SOL HW226251 3.906 3.770 5.524 -0.1944 -0.4712 -0.2435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26254 8227SOL OW26252 4.433 4.534 4.847 -0.2008 -0.4261 -0.2935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26255 8227SOL HW126253 4.443 4.493 4.937 1.3513 0.7974 0.1507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26256 8227SOL HW226254 4.404 4.629 4.857 -0.9094 -0.5450 -1.1364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26257 8228SOL OW26255 4.897 4.483 4.976 0.2524 0.2600 -0.2312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26258 8228SOL HW126256 4.818 4.429 5.006 -0.4727 2.1311 1.5210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26259 8228SOL HW226257 4.974 4.422 4.956 -1.0678 -1.5041 -0.1902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26260 8229SOL OW26258 5.068 4.228 4.085 -0.3812 0.2737 0.5162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26261 8229SOL HW126259 5.146 4.271 4.130 0.7248 -0.3920 -0.6816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26262 8229SOL HW226260 5.011 4.298 4.042 0.2053 0.6947 0.4196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26263 8230SOL OW26261 4.067 3.767 5.160 -0.2984 -0.4008 0.2021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26264 8230SOL HW126262 4.165 3.786 5.157 -0.5108 0.7596 -2.5500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26265 8230SOL HW226263 4.046 3.706 5.236 2.2774 0.7688 1.9695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26266 8231SOL OW26264 3.436 4.828 5.329 -0.3727 -0.4202 0.4917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26267 8231SOL HW126265 3.515 4.778 5.365 -1.1628 -0.4263 2.3045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26268 8231SOL HW226266 3.426 4.916 5.376 -0.8293 0.0577 -0.4634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26269 8232SOL OW26267 4.311 4.363 4.662 0.0951 -0.0380 0.0747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26270 8232SOL HW126268 4.382 4.334 4.598 1.0038 -1.2796 1.5964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26271 8232SOL HW226269 4.353 4.409 4.740 -0.8867 0.3033 0.4149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26272 8233SOL OW26270 5.513 4.774 5.696 -0.4289 0.2764 0.2854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26273 8233SOL HW126271 5.434 4.742 5.644 -0.2192 1.2959 -0.6888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26274 8233SOL HW226272 5.517 4.725 5.783 -1.5567 -0.4972 -0.0724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26275 8234SOL OW26273 5.637 3.825 4.049 0.4724 -0.1105 -0.4617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26276 8234SOL HW126274 5.634 3.767 3.967 0.4466 0.4759 -0.8868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26277 8234SOL HW226275 5.722 3.810 4.098 -0.3508 -1.9317 0.5102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26278 8235SOL OW26276 4.792 4.204 4.924 -0.3952 -0.1898 0.2620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26279 8235SOL HW126277 4.695 4.180 4.924 -1.2227 2.7342 0.6440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26280 8235SOL HW226278 4.819 4.234 4.832 0.1062 -0.7730 0.2117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26281 8236SOL OW26279 4.465 5.133 5.455 0.1325 0.6534 0.2201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26282 8236SOL HW126280 4.563 5.152 5.466 0.5924 -0.9087 -0.8662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26283 8236SOL HW226281 4.441 5.051 5.507 -0.2491 0.1386 -0.7435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26284 8237SOL OW26282 5.365 5.101 5.463 0.2856 -0.2837 -0.1376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26285 8237SOL HW126283 5.427 5.142 5.396 -0.3963 2.2675 0.6659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26286 8237SOL HW226284 5.417 5.064 5.539 0.9046 -0.1019 -0.4679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26287 8238SOL OW26285 4.071 4.659 5.510 0.1703 -0.2525 0.1836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26288 8238SOL HW126286 4.090 4.749 5.548 1.0882 -1.7006 3.5777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26289 8238SOL HW226287 4.066 4.665 5.411 -0.3982 3.5748 0.2830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26290 8239SOL OW26288 5.123 4.003 3.943 -0.0032 -0.4744 0.1156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26291 8239SOL HW126289 5.090 4.089 3.982 -1.2274 0.2998 -2.3907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26292 8239SOL HW226290 5.169 3.949 4.014 -1.6043 1.0003 2.4228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26293 8240SOL OW26291 4.984 4.500 3.693 -0.1526 0.2907 -0.6409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26294 8240SOL HW126292 5.007 4.587 3.737 0.2026 -0.1123 -0.0236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26295 8240SOL HW226293 5.032 4.425 3.739 0.9877 -0.0521 -2.3202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26296 8241SOL OW26294 4.699 4.934 4.569 0.5499 0.4766 0.1206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26297 8241SOL HW126295 4.731 4.843 4.541 0.3512 -0.3495 2.3738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26298 8241SOL HW226296 4.768 5.002 4.546 1.5234 -0.5196 0.0231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26299 8242SOL OW26297 3.943 4.675 4.765 0.5064 0.5189 -0.1541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26300 8242SOL HW126298 3.976 4.597 4.712 -0.5037 1.4659 -2.3194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26301 8242SOL HW226299 3.845 4.688 4.748 0.4606 1.7281 0.8671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26302 8243SOL OW26300 4.890 4.034 5.419 -0.7895 0.0289 -0.2284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26303 8243SOL HW126301 4.817 4.009 5.482 -1.1455 0.4112 -0.4778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26304 8243SOL HW226302 4.957 4.091 5.467 -1.5659 1.1407 -0.4274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26305 8244SOL OW26303 4.816 3.903 5.202 -0.0471 -0.6830 0.0290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26306 8244SOL HW126304 4.847 3.955 5.282 -2.2413 -0.0387 0.5493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26307 8244SOL HW226305 4.877 3.921 5.125 0.1844 1.4662 0.6219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26308 8245SOL OW26306 4.089 5.678 4.754 -0.6870 0.1762 -0.2936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26309 8245SOL HW126307 4.101 5.588 4.713 -1.9371 0.2681 -0.9076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26310 8245SOL HW226308 4.060 5.668 4.849 -0.4234 -0.0546 -0.2358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26311 8246SOL OW26309 3.944 5.165 4.559 0.2616 -0.3102 0.1625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26312 8246SOL HW126310 4.027 5.126 4.518 -0.1762 -1.1326 0.0429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26313 8246SOL HW226311 3.870 5.098 4.555 0.1818 -0.4153 2.3004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26314 8247SOL OW26312 4.648 4.393 5.097 -0.4708 -0.4040 0.3928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26315 8247SOL HW126313 4.650 4.337 5.180 -1.5781 -1.8694 -0.5118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26316 8247SOL HW226314 4.623 4.336 5.019 1.9098 0.6187 -1.2521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26317 8248SOL OW26315 4.015 4.404 5.553 0.3717 -0.0850 -0.1843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26318 8248SOL HW126316 3.935 4.389 5.612 -0.1580 0.6479 -0.7061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26319 8248SOL HW226317 4.021 4.500 5.528 0.4575 -0.4117 -1.5119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26320 8249SOL OW26318 4.970 4.887 5.257 0.4325 -0.1985 0.3066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26321 8249SOL HW126319 5.005 4.980 5.264 -0.1206 -0.0196 0.7435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26322 8249SOL HW226320 5.016 4.840 5.182 0.5708 0.4900 -0.0474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26323 8250SOL OW26321 5.135 4.341 4.903 -0.2016 -0.2560 -0.1299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26324 8250SOL HW126322 5.152 4.270 4.971 0.5113 -0.6756 -0.7306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26325 8250SOL HW226323 5.200 4.416 4.916 -0.7243 0.1337 0.2805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26326 8251SOL OW26324 3.843 5.206 5.433 -0.1047 -0.3218 -0.1742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26327 8251SOL HW126325 3.850 5.230 5.530 2.4801 1.4982 -0.7175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26328 8251SOL HW226326 3.823 5.109 5.424 -2.0891 -0.2340 2.1370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26329 8252SOL OW26327 4.962 5.565 5.446 0.1202 -0.1987 0.6416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26330 8252SOL HW126328 4.999 5.658 5.447 -3.1765 1.2972 -0.7829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26331 8252SOL HW226329 4.963 5.529 5.353 0.9161 -1.4430 1.1024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26332 8253SOL OW26330 3.936 4.829 5.159 0.0197 -0.2066 0.2226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26333 8253SOL HW126331 3.971 4.908 5.209 0.4814 -0.0300 -0.3681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26334 8253SOL HW226332 3.943 4.845 5.061 0.5447 -1.1466 0.0866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26335 8254SOL OW26333 4.873 4.757 4.930 0.0428 -0.1971 -0.8137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26336 8254SOL HW126334 4.861 4.660 4.951 -0.6471 -0.2961 -1.6365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26337 8254SOL HW226335 4.790 4.793 4.888 0.1932 0.8241 -0.2748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26338 8255SOL OW26336 4.865 4.398 4.023 0.6279 -0.3221 0.6245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26339 8255SOL HW126337 4.787 4.355 3.977 -0.0643 -0.9217 2.2526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26340 8255SOL HW226338 4.859 4.497 4.014 0.9008 -0.4308 -1.1097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26341 8256SOL OW26339 5.300 5.395 4.958 0.3104 -0.4979 0.0647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26342 8256SOL HW126340 5.396 5.421 4.965 -0.2224 1.3592 1.3301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26343 8256SOL HW226341 5.264 5.426 4.869 0.2501 1.2645 0.6668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26344 8257SOL OW26342 4.868 5.215 4.803 0.3864 0.6997 -0.3806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26345 8257SOL HW126343 4.889 5.295 4.859 1.2497 -0.1513 0.5554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26346 8257SOL HW226344 4.918 5.136 4.838 -0.2712 -0.2077 -1.4245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26347 8258SOL OW26345 3.707 4.760 4.646 -0.3001 -0.4631 -0.0240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26348 8258SOL HW126346 3.619 4.743 4.601 -0.3873 0.8425 -0.3818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26349 8258SOL HW226347 3.716 4.858 4.665 0.6733 -0.7145 0.8676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26350 8259SOL OW26348 4.233 5.403 5.610 -0.3671 0.0697 -0.1456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26351 8259SOL HW126349 4.136 5.386 5.595 -0.1812 -0.8932 -0.3069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26352 8259SOL HW226350 4.273 5.442 5.527 0.0303 -2.4883 -1.2373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26353 8260SOL OW26351 5.446 4.178 4.387 -0.1710 0.0570 0.2332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26354 8260SOL HW126352 5.512 4.152 4.457 1.4507 -1.1166 -1.6416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26355 8260SOL HW226353 5.446 4.110 4.314 -1.5274 1.4238 -1.1053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26356 8261SOL OW26354 5.120 5.229 4.326 0.4079 1.0023 0.1413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26357 8261SOL HW126355 5.194 5.252 4.263 0.4627 0.9112 0.1726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26358 8261SOL HW226356 5.055 5.305 4.331 -0.4985 0.3745 -1.3301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26359 8262SOL OW26357 3.845 5.504 5.591 -0.0583 -0.2479 -0.2391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26360 8262SOL HW126358 3.832 5.405 5.601 -1.9930 -0.0080 -0.0292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26361 8262SOL HW226359 3.834 5.548 5.680 1.9305 0.0878 -0.1172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26362 8263SOL OW26360 4.930 4.580 4.340 -0.1496 -0.2777 -0.0498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26363 8263SOL HW126361 4.983 4.495 4.345 0.3098 -0.0554 -0.9731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26364 8263SOL HW226362 4.898 4.595 4.246 -1.4242 -0.1348 0.3807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26365 8264SOL OW26363 4.427 5.085 5.169 0.2645 0.5025 -0.2418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26366 8264SOL HW126364 4.496 5.095 5.241 0.0013 1.3406 -0.0996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26367 8264SOL HW226365 4.344 5.134 5.195 -0.3471 -0.3722 -0.4776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26368 8265SOL OW26366 5.079 5.516 5.126 -0.5334 0.1265 0.1274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26369 8265SOL HW126367 5.167 5.485 5.091 1.1309 3.0462 1.3387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26370 8265SOL HW226368 5.085 5.613 5.151 -3.6757 0.0587 1.7056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26371 8266SOL OW26369 5.400 3.902 4.644 0.2391 -1.0001 -0.9426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26372 8266SOL HW126370 5.426 3.824 4.586 2.1978 -0.7149 -0.5114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26373 8266SOL HW226371 5.300 3.907 4.650 0.0357 -2.4088 -2.4107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26374 8267SOL OW26372 4.822 5.124 3.817 -0.2202 0.0954 0.8693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26375 8267SOL HW126373 4.830 5.073 3.731 -0.0948 1.0154 0.3204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26376 8267SOL HW226374 4.726 5.138 3.839 -0.2669 -0.8403 1.3181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26377 8268SOL OW26375 4.457 4.795 5.173 -0.5813 -0.3707 -0.1308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26378 8268SOL HW126376 4.556 4.793 5.157 -0.5095 0.9497 0.0038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26379 8268SOL HW226377 4.428 4.890 5.188 -2.1479 -0.5077 -1.8971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26380 8269SOL OW26378 5.232 5.109 3.878 -0.3892 -0.1863 0.3967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26381 8269SOL HW126379 5.141 5.096 3.918 -0.3809 -1.8915 -0.0577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26382 8269SOL HW226380 5.224 5.157 3.791 -0.8149 -0.0155 0.5302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26383 8270SOL OW26381 4.061 5.041 5.253 -0.2976 0.0289 -0.2590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26384 8270SOL HW126382 4.094 5.109 5.318 -1.3328 -0.4800 0.8438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26385 8270SOL HW226383 4.080 5.071 5.160 1.1277 0.8292 0.2608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26386 8271SOL OW26384 5.196 4.883 5.102 0.1803 -0.2481 -0.0239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26387 8271SOL HW126385 5.241 4.855 5.186 0.0481 0.1306 0.1769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26388 8271SOL HW226386 5.199 4.983 5.094 0.2506 -0.2856 -0.4995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26389 8272SOL OW26387 4.766 4.656 4.534 -0.3681 -0.0403 0.2104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26390 8272SOL HW126388 4.765 4.598 4.615 -3.3673 -2.3672 -1.2787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26391 8272SOL HW226389 4.828 4.617 4.465 0.8900 1.0101 0.6945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26392 8273SOL OW26390 4.517 4.011 4.706 -0.4413 -0.4043 -0.7230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26393 8273SOL HW126391 4.535 4.082 4.774 3.9043 0.6081 -2.6103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26394 8273SOL HW226392 4.520 3.921 4.750 -0.5689 0.3114 0.8241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26395 8274SOL OW26393 4.359 4.987 4.163 0.4987 -0.2132 0.2697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26396 8274SOL HW126394 4.453 4.960 4.180 1.0762 0.2887 -1.8408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26397 8274SOL HW226395 4.356 5.079 4.125 -1.1690 1.3813 3.7368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26398 8275SOL OW26396 5.410 4.097 5.111 -0.0568 -0.3341 0.1491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26399 8275SOL HW126397 5.485 4.162 5.122 0.8269 -1.5299 1.7593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26400 8275SOL HW226398 5.433 4.032 5.039 -0.3029 0.2669 -0.4812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26401 8276SOL OW26399 3.931 5.070 4.205 0.3598 -0.0544 0.4542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26402 8276SOL HW126400 3.963 5.140 4.269 0.9118 0.5694 -0.4705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26403 8276SOL HW226401 3.841 5.094 4.170 0.0109 -0.4519 1.0744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26404 8277SOL OW26402 3.797 4.960 5.491 -0.6005 0.4293 -0.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26405 8277SOL HW126403 3.731 4.891 5.463 -0.2958 -0.0949 0.4159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26406 8277SOL HW226404 3.836 4.935 5.579 -1.9995 2.3496 1.1154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26407 8278SOL OW26405 4.347 3.801 5.191 0.6470 0.1293 0.0871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26408 8278SOL HW126406 4.440 3.820 5.160 1.1721 -2.4852 -0.1813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26409 8278SOL HW226407 4.342 3.815 5.290 1.0997 0.9688 0.0062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26410 8279SOL OW26408 5.126 4.513 5.145 -0.3222 0.8997 -0.4503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26411 8279SOL HW126409 5.031 4.491 5.121 -0.0224 -2.4622 0.8261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26412 8279SOL HW226410 5.162 4.580 5.080 -3.1684 1.4174 -1.6833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26413 8280SOL OW26411 4.897 4.693 4.090 -0.4101 -0.4103 -0.4033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26414 8280SOL HW126412 4.803 4.722 4.072 -0.5806 -1.2324 -0.8883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26415 8280SOL HW226413 4.945 4.765 4.140 -1.0762 0.3230 -0.7990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26416 8281SOL OW26414 4.343 4.789 4.919 0.4838 0.2033 -0.0998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26417 8281SOL HW126415 4.344 4.881 4.881 -2.7295 0.4253 0.0641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26418 8281SOL HW226416 4.401 4.785 5.001 2.3021 1.4470 -1.2550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26419 8282SOL OW26417 5.087 5.579 4.779 0.0664 0.4044 -0.0903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26420 8282SOL HW126418 5.012 5.540 4.833 0.3147 2.2228 1.6843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26421 8282SOL HW226419 5.127 5.507 4.722 -1.2597 -1.2443 0.9274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26422 8283SOL OW26420 4.361 4.323 5.335 0.1544 -0.0038 0.1682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26423 8283SOL HW126421 4.459 4.328 5.354 0.5706 1.3055 -1.9019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26424 8283SOL HW226422 4.313 4.285 5.413 2.2625 -0.2476 1.4086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26425 8284SOL OW26423 5.334 4.856 5.355 -0.2138 -0.1912 0.3707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26426 8284SOL HW126424 5.285 4.938 5.385 0.1298 0.1728 -0.0674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26427 8284SOL HW226425 5.432 4.875 5.351 -0.2343 -0.2471 -0.8976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26428 8285SOL OW26426 3.895 5.470 5.324 -0.1405 0.6138 0.1829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26429 8285SOL HW126427 3.862 5.525 5.401 -1.7573 -1.5756 1.1674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26430 8285SOL HW226428 3.893 5.373 5.348 0.1102 -0.1028 -2.3329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26431 8286SOL OW26429 5.273 4.576 4.923 0.1988 -0.1963 0.4563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26432 8286SOL HW126430 5.369 4.550 4.919 0.5023 0.9271 0.3323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26433 8286SOL HW226431 5.251 4.637 4.847 -0.5698 -0.3040 0.5815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26434 8287SOL OW26432 4.908 4.034 4.320 -0.2169 0.7337 -0.3037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26435 8287SOL HW126433 4.938 3.940 4.332 1.0633 1.4844 3.8310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26436 8287SOL HW226434 4.985 4.092 4.294 -0.5804 1.0106 -0.8169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26437 8288SOL OW26435 5.393 4.055 5.387 0.3922 0.3034 0.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26438 8288SOL HW126436 5.421 4.076 5.293 -0.6193 1.4286 0.0085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26439 8288SOL HW226437 5.376 3.957 5.396 -0.0532 0.2580 -1.0570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26440 8289SOL OW26438 5.431 4.598 5.231 0.0223 -0.4268 -0.0526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26441 8289SOL HW126439 5.391 4.578 5.142 1.0953 2.1429 -1.1900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26442 8289SOL HW226440 5.371 4.661 5.281 -0.0239 -0.9644 0.5898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26443 8290SOL OW26441 4.722 4.876 3.962 0.4359 -0.3525 0.2739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26444 8290SOL HW126442 4.672 4.934 4.026 -1.1226 0.0505 -1.2230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26445 8290SOL HW226443 4.786 4.931 3.909 -1.6187 0.3057 -1.7201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26446 8291SOL OW26444 4.675 5.644 4.661 -0.1460 -0.3233 0.4276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26447 8291SOL HW126445 4.716 5.636 4.752 -1.0391 -1.7760 0.7326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26448 8291SOL HW226446 4.577 5.660 4.669 0.1739 2.5136 -0.3044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26449 8292SOL OW26447 4.712 4.510 4.772 0.1703 -0.3002 -0.2891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26450 8292SOL HW126448 4.613 4.500 4.782 0.0656 -0.1168 -1.0910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26451 8292SOL HW226449 4.753 4.528 4.862 -0.7994 1.9553 -0.2191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26452 8293SOL OW26450 4.695 4.510 3.712 0.0217 -0.4200 -0.1943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26453 8293SOL HW126451 4.667 4.424 3.753 0.9419 -1.9079 -2.5047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26454 8293SOL HW226452 4.794 4.512 3.701 0.1367 1.4030 0.6985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26455 8294SOL OW26453 5.505 5.157 4.553 -0.5770 0.5160 -0.3186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26456 8294SOL HW126454 5.469 5.073 4.593 3.4073 -1.6623 -0.8010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26457 8294SOL HW226455 5.481 5.160 4.456 -1.1870 0.2031 -0.1801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26458 8295SOL OW26456 3.911 4.885 5.743 -0.7341 -0.1877 0.2182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26459 8295SOL HW126457 3.930 4.788 5.761 -1.2421 -0.3412 -0.0427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26460 8295SOL HW226458 3.886 4.930 5.829 0.3875 -0.0742 0.4931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26461 8296SOL OW26459 4.259 5.267 5.321 -0.0397 0.0618 -0.0806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26462 8296SOL HW126460 4.279 5.365 5.333 0.8762 -0.2148 0.8560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26463 8296SOL HW226461 4.321 5.214 5.379 0.1271 -1.1218 -1.3133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26464 8297SOL OW26462 5.476 3.901 4.924 -0.1424 0.2466 0.2773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26465 8297SOL HW126463 5.575 3.895 4.913 0.1014 1.8864 1.3023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26466 8297SOL HW226464 5.432 3.878 4.837 1.1810 0.4147 -0.4711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26467 8298SOL OW26465 5.272 5.397 4.652 0.2051 -0.0924 0.0523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26468 8298SOL HW126466 5.371 5.397 4.661 0.0200 -0.9376 3.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26469 8298SOL HW226467 5.238 5.303 4.654 -0.6391 0.1008 -2.2092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26470 8299SOL OW26468 4.488 5.269 4.336 -0.7135 0.6773 -0.0231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26471 8299SOL HW126469 4.468 5.233 4.246 1.6493 1.0273 -0.7666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26472 8299SOL HW226470 4.438 5.355 4.350 -1.2157 0.5384 -0.9222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26473 8300SOL OW26471 4.901 3.828 4.805 -0.2648 -0.1315 -0.1032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26474 8300SOL HW126472 4.880 3.732 4.823 -0.6605 0.0453 0.3976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26475 8300SOL HW226473 4.948 3.867 4.884 -0.5616 0.2221 -0.0986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26476 8301SOL OW26474 4.560 3.761 4.831 0.2059 0.0302 -0.0833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26477 8301SOL HW126475 4.509 3.711 4.760 0.6583 -0.8946 0.2283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26478 8301SOL HW226476 4.603 3.695 4.893 0.1569 0.8256 0.8126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26479 8302SOL OW26477 4.618 4.953 4.220 0.6529 -0.6791 -0.4122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26480 8302SOL HW126478 4.597 4.893 4.297 0.4334 -1.7429 -1.2746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26481 8302SOL HW226479 4.673 5.030 4.252 -2.2616 0.7905 1.4237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26482 8303SOL OW26480 4.252 5.409 5.024 0.7303 -0.6571 -0.3849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26483 8303SOL HW126481 4.243 5.477 5.096 0.2876 -0.3860 -0.6910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26484 8303SOL HW226482 4.283 5.452 4.939 -0.7115 -0.5975 -0.9177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26485 8304SOL OW26483 4.879 4.328 4.629 0.2046 0.0453 -0.4671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26486 8304SOL HW126484 4.962 4.351 4.578 0.0676 0.4399 -0.5206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26487 8304SOL HW226485 4.857 4.402 4.692 0.8838 -0.8461 0.8493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26488 8305SOL OW26486 5.134 3.856 4.649 0.0406 -0.2409 -0.1023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26489 8305SOL HW126487 5.048 3.835 4.696 0.4691 1.0465 1.3412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26490 8305SOL HW226488 5.127 3.946 4.607 0.4686 -0.4139 -0.5493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26491 8306SOL OW26489 4.675 5.395 4.101 -0.6158 0.0236 -0.1663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26492 8306SOL HW126490 4.596 5.442 4.062 0.0966 1.4253 0.0032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26493 8306SOL HW226491 4.716 5.453 4.171 -0.3033 -1.3173 0.8053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26494 8307SOL OW26492 4.071 4.347 5.942 -0.4010 -0.2673 -0.6786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26495 8307SOL HW126493 4.011 4.368 6.019 0.8362 0.3358 0.1575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26496 8307SOL HW226494 4.102 4.431 5.899 0.7009 -0.5078 -0.3956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26497 8308SOL OW26495 3.677 3.915 6.661 -0.0714 0.1026 -0.4414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26498 8308SOL HW126496 3.706 3.872 6.746 1.2278 -0.2931 -1.0589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26499 8308SOL HW226497 3.595 3.869 6.626 1.3309 -1.9901 -1.1290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26500 8309SOL OW26498 3.803 4.061 6.121 -0.3857 0.0001 -0.3105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26501 8309SOL HW126499 3.729 3.993 6.116 -0.2707 -0.3413 1.7369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26502 8309SOL HW226500 3.819 4.099 6.030 -1.5844 -1.5053 -1.2093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26503 8310SOL OW26501 4.160 4.812 6.734 0.3411 -0.0974 0.6021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26504 8310SOL HW126502 4.079 4.845 6.687 0.2132 -2.0243 -0.6567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26505 8310SOL HW226503 4.134 4.741 6.800 0.8975 0.0296 0.9699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26506 8311SOL OW26504 5.346 5.126 6.428 -0.1067 -0.2720 0.0632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26507 8311SOL HW126505 5.268 5.067 6.409 -0.5586 0.7140 -1.3442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26508 8311SOL HW226506 5.314 5.214 6.465 0.3840 -0.0926 0.0743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26509 8312SOL OW26507 4.767 4.382 6.080 0.8614 0.3901 -0.2789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26510 8312SOL HW126508 4.832 4.458 6.085 2.1344 -0.7433 1.8262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26511 8312SOL HW226509 4.734 4.361 6.171 -1.1001 -0.2731 -1.0947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26512 8313SOL OW26510 5.432 4.201 5.823 0.2502 -0.0448 0.3895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26513 8313SOL HW126511 5.393 4.267 5.760 0.5386 -0.0397 0.2174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26514 8313SOL HW226512 5.361 4.171 5.888 -0.4189 -1.0856 -0.7835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26515 8314SOL OW26513 4.416 4.780 6.664 -0.1734 1.0302 0.0478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26516 8314SOL HW126514 4.317 4.774 6.679 0.0531 0.4722 1.5254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26517 8314SOL HW226515 4.435 4.849 6.596 -1.7246 -0.4150 -1.9822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26518 8315SOL OW26516 4.445 4.305 0.026 -0.0582 -0.1143 0.1913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26519 8315SOL HW126517 4.405 4.382 0.075 -0.2154 0.3680 -0.6866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26520 8315SOL HW226518 4.396 4.290 -0.060 0.4992 -0.6558 -0.0337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26521 8316SOL OW26519 4.421 4.472 6.195 0.0924 0.1723 -0.3366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26522 8316SOL HW126520 4.440 4.428 6.283 2.0309 -0.7671 -1.1483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26523 8316SOL HW226521 4.326 4.502 6.192 -0.4707 -1.2467 1.4404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26524 8317SOL OW26522 3.969 4.948 6.601 -0.6448 -0.0096 0.2241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26525 8317SOL HW126523 3.889 4.908 6.645 -1.4826 0.1304 -1.1300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26526 8317SOL HW226524 3.978 5.044 6.629 -0.7722 -0.1021 0.5950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26527 8318SOL OW26525 5.079 5.190 6.931 -0.5962 -0.5615 -0.1622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26528 8318SOL HW126526 5.128 5.277 6.936 0.8683 -1.4264 3.0079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26529 8318SOL HW226527 5.002 5.191 6.995 -0.4597 -1.6409 0.0363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26530 8319SOL OW26528 4.376 3.997 7.050 0.0289 -0.0798 -0.0145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26531 8319SOL HW126529 4.470 4.005 7.018 0.0902 1.3656 0.4516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26532 8319SOL HW226530 4.374 3.949 7.137 0.5221 1.1307 0.6905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26533 8320SOL OW26531 5.043 3.944 6.206 -0.3214 0.2120 0.8105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26534 8320SOL HW126532 5.011 4.000 6.130 1.3050 -0.1867 -0.2196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26535 8320SOL HW226533 5.040 3.997 6.291 1.1566 1.8802 -0.1274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26536 8321SOL OW26534 3.948 5.242 6.051 0.5293 -0.9946 0.6272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26537 8321SOL HW126535 3.868 5.226 6.109 -0.4970 0.5933 -0.2806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26538 8321SOL HW226536 4.013 5.301 6.100 -0.3370 0.3481 0.2108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26539 8322SOL OW26537 4.023 4.922 6.157 -0.0064 0.4202 -0.1001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26540 8322SOL HW126538 3.992 4.878 6.073 -0.2195 0.3913 -0.0070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26541 8322SOL HW226539 3.957 4.905 6.230 1.1995 -1.3428 0.6356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26542 8323SOL OW26540 3.942 4.535 6.426 -0.1115 0.1613 0.3265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26543 8323SOL HW126541 3.954 4.436 6.416 -1.3152 0.1047 -0.9046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26544 8323SOL HW226542 3.951 4.561 6.522 1.0884 -0.9961 0.5617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26545 8324SOL OW26543 4.170 5.329 7.035 0.0332 -0.3102 -0.2242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26546 8324SOL HW126544 4.075 5.359 7.039 -0.1297 -0.8556 0.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26547 8324SOL HW226545 4.230 5.409 7.042 -0.3364 -0.2007 3.2167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26548 8325SOL OW26546 4.416 4.589 5.873 -0.0341 0.2298 0.1132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26549 8325SOL HW126547 4.502 4.633 5.847 0.2567 -1.0679 -1.2861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26550 8325SOL HW226548 4.428 4.539 5.959 -0.2585 2.4437 1.5003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26551 8326SOL OW26549 5.227 3.991 7.125 0.1406 0.1168 -0.0499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26552 8326SOL HW126550 5.299 3.947 7.180 -0.9702 -1.5771 0.1200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26553 8326SOL HW226551 5.185 4.065 7.179 -0.1123 -0.7204 0.9276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26554 8327SOL OW26552 3.903 4.420 6.135 0.1657 0.2120 -0.0034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26555 8327SOL HW126553 3.932 4.359 6.209 3.1335 0.1000 -1.1331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26556 8327SOL HW226554 3.884 4.511 6.172 -0.7949 -0.4545 1.1964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26557 8328SOL OW26555 5.733 5.415 5.855 -0.7196 0.1078 -0.5684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26558 8328SOL HW126556 5.751 5.373 5.944 -0.4527 0.2787 -0.5411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26559 8328SOL HW226557 5.741 5.514 5.863 0.7949 0.0553 -1.1110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26560 8329SOL OW26558 3.870 5.264 5.693 -0.3126 0.5958 0.1421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26561 8329SOL HW126559 3.803 5.263 5.767 -0.6315 -0.6211 -0.1448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26562 8329SOL HW226560 3.956 5.224 5.725 -0.5892 -0.3379 -0.2587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26563 8330SOL OW26561 5.397 4.631 6.154 -0.4221 0.0131 -0.6493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26564 8330SOL HW126562 5.444 4.582 6.081 0.3626 -0.1443 -0.0661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26565 8330SOL HW226563 5.380 4.725 6.126 2.2881 0.7571 -0.1251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26566 8331SOL OW26564 5.368 4.881 6.053 -0.2395 0.5370 -0.0124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26567 8331SOL HW126565 5.451 4.937 6.061 -0.1693 0.1265 4.7683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26568 8331SOL HW226566 5.291 4.929 6.094 -0.6352 -1.8450 2.3020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26569 8332SOL OW26567 3.991 4.247 7.134 -0.0915 0.2569 0.4326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26570 8332SOL HW126568 4.089 4.252 7.116 -0.1265 1.5047 0.5139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26571 8332SOL HW226569 3.948 4.333 7.108 -1.4244 -0.8156 -1.0470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26572 8333SOL OW26570 4.259 4.993 6.419 -0.1376 -0.3504 -0.3376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26573 8333SOL HW126571 4.202 4.920 6.456 -2.3258 1.1480 -0.6139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26574 8333SOL HW226572 4.267 4.982 6.320 -0.7056 -0.0694 -0.4176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26575 8334SOL OW26573 4.987 4.843 6.908 0.0941 -0.0851 0.8562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26576 8334SOL HW126574 5.071 4.886 6.875 0.1575 -0.8241 0.0132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26577 8334SOL HW226575 5.011 4.771 6.974 0.0782 0.2256 1.1989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26578 8335SOL OW26576 4.553 3.760 6.227 0.2384 1.1099 0.6201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26579 8335SOL HW126577 4.538 3.789 6.132 0.5929 1.4270 0.6591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26580 8335SOL HW226578 4.465 3.758 6.275 -0.4716 -2.1101 -0.5423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26581 8336SOL OW26579 3.990 4.495 6.704 -0.5260 0.0632 0.4738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26582 8336SOL HW126580 4.056 4.430 6.741 -0.2332 -0.6914 -1.3072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26583 8336SOL HW226581 3.913 4.446 6.664 -0.1634 0.7690 -1.1502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26584 8337SOL OW26582 5.206 4.705 5.885 -0.4763 0.5720 -0.0466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26585 8337SOL HW126583 5.212 4.609 5.860 -0.7925 0.4610 0.2881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26586 8337SOL HW226584 5.291 4.735 5.928 -0.1751 0.5901 -0.6507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26587 8338SOL OW26585 5.162 5.783 0.035 -0.3258 -0.2679 -0.0445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26588 8338SOL HW126586 5.089 5.734 -0.013 -0.3672 2.4138 -3.0836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26589 8338SOL HW226587 5.251 5.746 0.007 -0.4251 -0.4066 -0.1672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26590 8339SOL OW26588 3.936 3.872 0.129 -0.2313 0.1841 -0.6229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26591 8339SOL HW126589 3.960 3.928 0.208 0.3506 -1.2594 0.2723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26592 8339SOL HW226590 3.993 3.898 0.051 -0.3133 1.1494 -0.3694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26593 8340SOL OW26591 5.114 4.978 6.410 -0.1442 -0.5132 0.2011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26594 8340SOL HW126592 5.074 5.021 6.491 1.3735 -0.0128 0.7330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26595 8340SOL HW226593 5.084 4.883 6.404 -0.9516 -0.3093 0.8692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26596 8341SOL OW26594 5.520 5.374 6.160 -0.2979 -0.5254 0.0982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26597 8341SOL HW126595 5.533 5.284 6.203 0.3740 -1.0132 -1.0807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26598 8341SOL HW226596 5.469 5.363 6.075 0.2225 0.1533 -0.3051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26599 8342SOL OW26597 4.519 4.421 5.652 0.6312 -0.0017 -1.0952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26600 8342SOL HW126598 4.613 4.441 5.627 0.9605 0.2735 0.2862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26601 8342SOL HW226599 4.492 4.477 5.730 0.2304 -1.9485 0.2609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26602 8343SOL OW26600 4.967 4.179 6.448 0.2490 0.0535 -0.0169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26603 8343SOL HW126601 4.896 4.125 6.404 0.9495 -1.3744 0.5219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26604 8343SOL HW226602 4.976 4.150 6.544 2.2206 -0.5364 -0.3418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26605 8344SOL OW26603 5.392 5.311 5.904 0.3292 1.0700 -0.5385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26606 8344SOL HW126604 5.339 5.246 5.849 0.9588 1.4652 -1.6422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26607 8344SOL HW226605 5.412 5.392 5.850 1.4176 1.2558 0.1123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26608 8345SOL OW26606 4.617 4.253 6.836 -0.2665 0.0801 -0.6210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26609 8345SOL HW126607 4.656 4.225 6.923 0.5633 -0.2451 -1.0820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26610 8345SOL HW226608 4.623 4.177 6.770 0.4474 0.7750 -1.3802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26611 8346SOL OW26609 4.712 4.535 7.081 -0.2607 0.3003 0.2626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26612 8346SOL HW126610 4.767 4.470 7.028 0.0302 0.1994 0.6858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26613 8346SOL HW226611 4.636 4.567 7.025 0.7280 1.1367 -0.6623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26614 8347SOL OW26612 4.638 4.089 6.599 -0.3574 0.0352 -0.6250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26615 8347SOL HW126613 4.563 4.023 6.595 -0.9268 0.6226 -0.0435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26616 8347SOL HW226614 4.703 4.071 6.525 0.1259 -1.9074 0.1969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26617 8348SOL OW26615 4.800 4.326 5.824 -0.2589 -0.5554 -0.3675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26618 8348SOL HW126616 4.798 4.342 5.923 2.7248 -1.7129 -0.0304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26619 8348SOL HW226617 4.750 4.242 5.803 -1.7362 0.1977 -0.0272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26620 8349SOL OW26618 3.601 4.239 6.183 -0.2821 0.1999 -0.6040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26621 8349SOL HW126619 3.543 4.188 6.247 -0.7251 0.8857 -0.4571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26622 8349SOL HW226620 3.696 4.208 6.193 -0.5510 -0.6534 -0.5733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26623 8350SOL OW26621 3.647 5.393 7.010 0.0934 0.3973 -0.5290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26624 8350SOL HW126622 3.649 5.392 7.110 0.4612 -1.3797 -0.5257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26625 8350SOL HW226623 3.553 5.387 6.978 -0.0179 -5.5232 -0.1562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26626 8351SOL OW26624 4.446 3.704 5.784 -0.5068 -0.1905 -0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26627 8351SOL HW126625 4.498 3.724 5.701 -1.4635 -0.9058 -0.9668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26628 8351SOL HW226626 4.349 3.694 5.760 -0.9098 0.3357 1.1832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26629 8352SOL OW26627 4.944 4.752 5.853 0.4299 0.1340 0.2265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26630 8352SOL HW126628 5.038 4.728 5.880 2.0356 1.1337 -3.7765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26631 8352SOL HW226629 4.935 4.851 5.853 -0.7439 0.0372 0.7668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26632 8353SOL OW26630 4.115 3.752 6.586 -0.8525 -0.4035 0.4471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26633 8353SOL HW126631 4.166 3.739 6.671 0.3332 0.1646 -0.1540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26634 8353SOL HW226632 4.145 3.837 6.542 -0.1509 -1.5783 -1.4341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26635 8354SOL OW26633 4.649 5.135 6.036 0.3675 -0.1208 0.0981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26636 8354SOL HW126634 4.576 5.202 6.023 -0.4672 -0.9684 0.3433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26637 8354SOL HW226635 4.732 5.182 6.067 -0.8028 0.5802 2.3456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26638 8355SOL OW26636 3.933 5.304 6.453 0.1915 -0.3538 -0.0222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26639 8355SOL HW126637 4.025 5.271 6.436 0.5640 0.1910 0.9098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26640 8355SOL HW226638 3.909 5.291 6.549 -1.4712 -2.3377 -0.6425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26641 8356SOL OW26639 5.500 4.556 6.407 -0.1652 0.2685 -0.0357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26642 8356SOL HW126640 5.464 4.545 6.314 1.4758 -0.4400 -0.6283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26643 8356SOL HW226641 5.432 4.601 6.464 -1.0767 1.0542 -1.6742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26644 8357SOL OW26642 4.828 5.239 7.074 0.2008 -0.0435 0.0980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26645 8357SOL HW126643 4.796 5.148 7.047 0.7036 -0.1518 -0.1316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26646 8357SOL HW226644 4.777 5.309 7.023 -0.2608 -0.1898 0.3524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26647 8358SOL OW26645 4.166 4.551 5.812 0.3691 -0.1317 0.3292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26648 8358SOL HW126646 4.259 4.582 5.830 0.2935 0.9781 -1.0393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26649 8358SOL HW226647 4.157 4.527 5.716 -1.0535 0.9081 0.1666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26650 8359SOL OW26648 5.161 4.505 6.216 0.1935 -0.0346 0.5565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26651 8359SOL HW126649 5.172 4.444 6.294 0.3114 -1.6260 -0.6589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26652 8359SOL HW226650 5.250 4.543 6.191 0.4210 -0.7313 0.2761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26653 8360SOL OW26651 4.309 4.650 0.036 -0.0463 0.5291 0.3578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26654 8360SOL HW126652 4.254 4.709 -0.024 -0.1285 -1.9809 -2.2428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26655 8360SOL HW226653 4.406 4.665 0.018 -0.0285 0.7281 0.6111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26656 8361SOL OW26654 4.584 5.347 5.675 0.2015 0.8221 -0.2724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26657 8361SOL HW126655 4.650 5.294 5.728 -0.2338 -0.9339 -1.3939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26658 8361SOL HW226656 4.497 5.297 5.671 -1.3117 3.1188 1.2781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26659 8362SOL OW26657 4.115 3.815 7.002 -0.8121 -0.5833 -0.1770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26660 8362SOL HW126658 4.138 3.865 7.085 -1.2868 -0.4911 -0.1004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26661 8362SOL HW226659 4.045 3.746 7.022 -0.4971 -0.9711 -0.3752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26662 8363SOL OW26660 5.235 5.097 5.778 -0.6785 -0.1892 0.4594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26663 8363SOL HW126661 5.158 5.161 5.777 -1.0161 -0.5937 0.3743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26664 8363SOL HW226662 5.206 5.010 5.737 0.5679 0.4937 -2.0669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26665 8364SOL OW26663 4.153 5.421 6.131 0.0926 0.0997 -0.0052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26666 8364SOL HW126664 4.107 5.484 6.193 -0.4203 0.6691 -0.9366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26667 8364SOL HW226665 4.227 5.374 6.179 0.6653 1.6049 0.6409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26668 8365SOL OW26666 5.101 3.778 5.897 -0.0250 0.7533 -0.2263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26669 8365SOL HW126667 5.119 3.695 5.844 -1.2993 0.6733 -0.5454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26670 8365SOL HW226668 5.181 3.798 5.954 -0.2118 -1.5333 0.9893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26671 8366SOL OW26669 3.979 5.171 6.748 1.2104 0.5761 0.4614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26672 8366SOL HW126670 3.988 5.140 6.843 0.4667 0.0067 0.3574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26673 8366SOL HW226671 4.069 5.189 6.710 1.7000 -1.4213 0.5511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26674 8367SOL OW26672 4.614 5.330 6.285 -0.1031 0.2250 0.1959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26675 8367SOL HW126673 4.662 5.247 6.314 0.0345 0.0683 -0.4845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26676 8367SOL HW226674 4.552 5.309 6.210 0.4751 0.8657 -0.4774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26677 8368SOL OW26675 4.195 4.125 6.053 -0.0957 0.6580 0.4572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26678 8368SOL HW126676 4.130 4.116 6.129 -1.0537 0.1374 -0.4081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26679 8368SOL HW226677 4.162 4.193 5.988 -0.2224 -0.2073 -0.4151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26680 8369SOL OW26678 4.189 3.691 5.678 -0.5431 -0.2716 0.4872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26681 8369SOL HW126679 4.200 3.592 5.672 -1.0420 -0.4493 2.1275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26682 8369SOL HW226680 4.091 3.713 5.681 -0.6409 0.5631 -3.3639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26683 8370SOL OW26681 4.441 3.863 0.109 0.3030 0.2412 -0.4743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26684 8370SOL HW126682 4.531 3.841 0.070 0.6923 -0.5550 0.7912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26685 8370SOL HW226683 4.387 3.779 0.116 -0.2251 0.5803 -0.4530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26686 8371SOL OW26684 4.544 5.145 6.823 0.3307 0.0839 -0.2653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26687 8371SOL HW126685 4.511 5.104 6.738 0.2069 -1.4879 0.5166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26688 8371SOL HW226686 4.623 5.094 6.857 -0.7163 -0.4349 1.4960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26689 8372SOL OW26687 5.136 4.227 6.706 0.0194 0.2026 0.0932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26690 8372SOL HW126688 5.168 4.137 6.737 -1.8176 -0.5728 -0.1302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26691 8372SOL HW226689 5.209 4.295 6.720 1.8780 -1.4943 -0.8051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26692 8373SOL OW26690 4.495 5.039 6.573 0.2412 0.1331 -0.0603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26693 8373SOL HW126691 4.569 5.077 6.518 -0.6643 3.3776 0.7149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26694 8373SOL HW226692 4.411 5.038 6.519 -0.0539 0.6904 0.3709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26695 8374SOL OW26693 4.765 4.058 6.322 0.1356 0.3141 -0.2509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26696 8374SOL HW126694 4.721 4.049 6.232 0.1934 -0.7306 -0.1876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26697 8374SOL HW226695 4.786 3.967 6.358 1.2102 0.7536 0.2869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26698 8375SOL OW26696 4.266 3.764 6.255 0.6062 -0.2436 0.4231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26699 8375SOL HW126697 4.232 3.833 6.319 0.0509 -0.8619 0.8090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26700 8375SOL HW226698 4.259 3.798 6.161 0.3291 0.2197 0.6109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26701 8376SOL OW26699 5.175 4.850 5.664 -0.3344 -0.2107 0.1855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26702 8376SOL HW126700 5.183 4.795 5.747 1.0544 -2.8966 -1.5731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26703 8376SOL HW226701 5.106 4.810 5.603 0.2952 0.3058 -0.9029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26704 8377SOL OW26702 3.959 3.732 5.928 0.2541 0.2154 0.3781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26705 8377SOL HW126703 4.058 3.746 5.926 0.2676 0.3474 1.3245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26706 8377SOL HW226704 3.919 3.762 5.842 1.2059 -1.2350 -0.6288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26707 8378SOL OW26705 4.624 3.821 5.955 0.2169 0.2701 0.1284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26708 8378SOL HW126706 4.567 3.762 5.898 0.3372 -0.6614 0.9403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26709 8378SOL HW226707 4.711 3.838 5.909 0.0142 0.1626 -0.3000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26710 8379SOL OW26708 4.880 4.254 6.971 -0.0323 0.2679 0.1937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26711 8379SOL HW126709 4.890 4.166 6.924 -1.6461 0.1288 0.0285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26712 8379SOL HW226710 4.919 4.327 6.916 1.1645 -0.3165 0.2470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26713 8380SOL OW26711 4.914 5.229 6.131 0.1352 -0.1486 -0.0871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26714 8380SOL HW126712 5.009 5.200 6.122 0.8938 2.3038 -0.7595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26715 8380SOL HW226713 4.898 5.261 6.225 0.4063 0.7835 -0.3522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26716 8381SOL OW26714 4.192 4.584 6.267 -0.0498 0.9049 0.3029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26717 8381SOL HW126715 4.119 4.589 6.335 -0.5077 0.2351 -0.1286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26718 8381SOL HW226716 4.187 4.665 6.207 -0.7415 0.6324 -0.0212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26719 8382SOL OW26717 5.141 5.531 6.199 0.1350 0.1680 -0.2733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26720 8382SOL HW126718 5.200 5.599 6.155 -0.4450 1.0108 0.2004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26721 8382SOL HW226719 5.047 5.566 6.201 -0.1091 -0.5025 0.2870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26722 8383SOL OW26720 4.805 4.435 5.420 -0.1717 0.6481 -0.3899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26723 8383SOL HW126721 4.816 4.477 5.510 0.6231 0.4295 -0.3797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26724 8383SOL HW226722 4.754 4.497 5.361 0.4888 1.3868 -0.2004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26725 8384SOL OW26723 3.855 4.161 6.905 -0.3119 -0.7391 -0.1428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26726 8384SOL HW126724 3.889 4.076 6.866 -0.4813 -0.6655 -0.4541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26727 8384SOL HW226725 3.902 4.180 6.991 -0.2283 -1.1128 -0.1071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26728 8385SOL OW26726 4.266 3.696 6.801 -0.4990 0.0372 -0.4582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26729 8385SOL HW126727 4.352 3.666 6.842 -0.0220 0.0536 -1.4246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26730 8385SOL HW226728 4.218 3.755 6.866 0.4267 0.3971 -0.0704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26731 8386SOL OW26729 4.661 4.047 6.087 0.2425 -0.5515 -0.0584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26732 8386SOL HW126730 4.584 4.107 6.064 0.8102 -0.3140 -1.4718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26733 8386SOL HW226731 4.651 3.961 6.038 0.1170 -1.1129 0.9307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26734 8387SOL OW26732 4.752 3.622 6.300 0.2540 -0.1353 -0.6497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26735 8387SOL HW126733 4.679 3.685 6.272 0.8345 0.8211 -0.0543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26736 8387SOL HW226734 4.716 3.528 6.301 -1.8250 0.5521 2.2337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26737 8388SOL OW26735 5.030 4.719 6.490 0.1226 -0.1870 0.5508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26738 8388SOL HW126736 5.003 4.762 6.577 -0.1670 -0.9901 0.8673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26739 8388SOL HW226737 5.006 4.622 6.493 -0.8882 -0.0114 -0.8453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26740 8389SOL OW26738 5.205 4.312 6.412 0.0357 -0.5162 0.5127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26741 8389SOL HW126739 5.133 4.247 6.438 -0.2663 -0.2315 0.3967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26742 8389SOL HW226740 5.281 4.304 6.475 -0.5302 -0.1014 1.2683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26743 8390SOL OW26741 5.497 4.389 6.032 0.0148 -0.1357 -0.0858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26744 8390SOL HW126742 5.535 4.339 6.109 3.7297 -0.4738 -1.9293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26745 8390SOL HW226743 5.488 4.328 5.953 -1.0383 0.8167 -0.7458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26746 8391SOL OW26744 4.127 5.107 5.896 0.0762 -0.0352 0.0674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26747 8391SOL HW126745 4.070 5.145 5.969 2.1450 -0.8558 2.2395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26748 8391SOL HW226746 4.109 5.010 5.886 0.6340 -0.1739 0.3509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26749 8392SOL OW26747 5.149 5.035 6.147 0.0179 0.4069 0.1154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26750 8392SOL HW126748 5.188 5.126 6.132 -1.1535 1.0444 0.7497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26751 8392SOL HW226749 5.134 5.021 6.245 2.8866 -1.6721 0.3892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26752 8393SOL OW26750 5.084 4.050 5.720 0.3111 -0.0522 -0.1991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26753 8393SOL HW126751 5.001 4.058 5.774 0.3850 -0.3442 -0.0366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26754 8393SOL HW226752 5.163 4.047 5.781 0.5531 1.5927 -0.4059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26755 8394SOL OW26753 4.227 3.827 5.982 0.0710 -0.0111 0.9020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26756 8394SOL HW126754 4.201 3.923 5.991 0.1920 0.1841 -0.5466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26757 8394SOL HW226755 4.312 3.821 5.930 -0.2277 -0.9293 0.5022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26758 8395SOL OW26756 5.540 4.711 6.935 0.1301 0.0743 -0.0206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26759 8395SOL HW126757 5.602 4.751 6.868 0.7564 -0.8005 0.0246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26760 8395SOL HW226758 5.484 4.783 6.976 -0.4983 0.6030 -1.7121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26761 8396SOL OW26759 4.742 4.994 6.925 -0.0678 -0.0825 0.2477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26762 8396SOL HW126760 4.707 4.977 7.017 1.2673 0.1885 0.8193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26763 8396SOL HW226761 4.822 4.938 6.908 -0.3386 -0.1812 -0.7904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26764 8397SOL OW26762 4.751 4.847 6.632 -0.3534 -0.6528 0.4800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26765 8397SOL HW126763 4.675 4.911 6.640 0.9076 1.0904 -0.6611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26766 8397SOL HW226764 4.754 4.810 6.539 1.2893 0.8565 -0.1304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26767 8398SOL OW26765 5.300 4.676 6.550 0.0302 -0.1692 0.6812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26768 8398SOL HW126766 5.337 4.764 6.581 0.0723 -0.1949 0.7017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26769 8398SOL HW226767 5.206 4.690 6.518 -0.0048 -0.1398 0.7980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26770 8399SOL OW26768 4.647 3.846 6.845 0.2631 -0.0679 0.4710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26771 8399SOL HW126769 4.661 3.750 6.823 -1.7373 -0.9319 2.5651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26772 8399SOL HW226770 4.723 3.879 6.902 -0.1452 -1.0967 1.6442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26773 8400SOL OW26771 4.631 4.625 6.177 0.4991 -0.1691 0.4193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26774 8400SOL HW126772 4.552 4.564 6.186 -0.0903 0.6644 1.1362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26775 8400SOL HW226773 4.705 4.578 6.130 -0.1590 -1.2220 0.4098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26776 8401SOL OW26774 4.268 4.033 6.803 0.5089 -0.0624 0.2515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26777 8401SOL HW126775 4.299 4.019 6.897 -0.6150 0.3260 0.6953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26778 8401SOL HW226776 4.173 4.006 6.795 0.9325 -1.2763 -1.0978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26779 8402SOL OW26777 4.898 4.052 6.769 -0.1410 -0.3409 -0.6312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26780 8402SOL HW126778 4.943 3.965 6.747 0.7494 -0.0841 0.1353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26781 8402SOL HW226779 4.801 4.045 6.746 0.0916 -1.2297 -1.4233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26782 8403SOL OW26780 3.525 5.283 6.710 0.1824 0.1140 0.5479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26783 8403SOL HW126781 3.514 5.335 6.626 -1.5966 1.1825 1.4066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26784 8403SOL HW226782 3.619 5.293 6.743 0.1842 1.8924 0.0983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26785 8404SOL OW26783 3.769 4.695 6.145 0.3118 -0.2800 -0.9706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26786 8404SOL HW126784 3.815 4.692 6.233 1.8245 -0.9114 -1.7544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26787 8404SOL HW226785 3.723 4.784 6.134 -0.2229 -0.3346 0.5770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26788 8405SOL OW26786 4.173 3.977 6.415 0.7726 -0.1038 -0.1243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26789 8405SOL HW126787 4.131 4.015 6.333 0.6834 1.1470 0.4796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26790 8405SOL HW226788 4.198 4.051 6.477 -1.4304 -1.1001 2.0989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26791 8406SOL OW26789 4.961 5.027 5.907 0.2981 -0.2063 0.1844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26792 8406SOL HW126790 5.059 5.012 5.909 0.3150 -0.1695 -0.3374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26793 8406SOL HW226791 4.935 5.088 5.982 0.5516 -0.9066 0.8565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26794 8407SOL OW26792 4.953 5.085 6.655 0.6779 0.6157 -0.0905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26795 8407SOL HW126793 5.001 5.134 6.728 1.4209 -0.5035 0.2068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26796 8407SOL HW226794 4.902 5.009 6.695 1.0763 -0.0006 -0.7323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26797 8408SOL OW26795 5.097 4.340 6.024 -0.1925 0.6302 0.0019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26798 8408SOL HW126796 5.124 4.404 6.096 1.7927 0.3585 -0.4234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26799 8408SOL HW226797 5.131 4.373 5.936 -2.3338 0.8120 -0.8042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26800 8409SOL OW26798 4.366 4.873 6.953 0.1345 0.1635 -0.2078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26801 8409SOL HW126799 4.339 4.872 6.856 2.1832 0.5362 -0.8456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26802 8409SOL HW226800 4.412 4.960 6.973 0.4023 -0.2291 0.9155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26803 8410SOL OW26801 4.252 4.245 7.074 -0.0086 -0.9061 0.0479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26804 8410SOL HW126802 4.287 4.313 7.010 0.6467 -0.3424 0.9807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26805 8410SOL HW226803 4.291 4.156 7.052 3.5859 -0.0369 2.0682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26806 8411SOL OW26804 5.178 4.347 0.179 -0.3283 -0.0286 -0.0987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26807 8411SOL HW126805 5.217 4.256 0.162 0.7609 0.3069 0.5151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26808 8411SOL HW226806 5.193 4.404 0.099 -0.2208 -0.1265 -0.1498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26809 8412SOL OW26807 4.179 4.314 6.771 -0.1520 0.3359 -0.6154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26810 8412SOL HW126808 4.241 4.370 6.826 -2.5376 0.5093 2.1115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26811 8412SOL HW226809 4.214 4.220 6.767 -0.1417 0.1991 1.7166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26812 8413SOL OW26810 4.903 4.477 6.477 -0.0291 0.7950 0.6350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26813 8413SOL HW126811 4.809 4.474 6.442 -0.4843 0.2556 1.8384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26814 8413SOL HW226812 4.956 4.402 6.438 -0.7682 -0.3187 1.6789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26815 8414SOL OW26813 4.744 3.991 5.630 -0.2929 0.4036 -0.3638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26816 8414SOL HW126814 4.792 3.964 5.714 -1.6076 0.6035 0.4898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26817 8414SOL HW226815 4.671 4.056 5.653 -1.1061 -0.0494 -1.5656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26818 8415SOL OW26816 3.755 3.818 6.904 -0.5659 0.1940 -0.0923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26819 8415SOL HW126817 3.746 3.812 7.003 -0.6452 -1.3912 -0.1694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26820 8415SOL HW226818 3.795 3.733 6.869 -1.1098 0.4807 -1.4735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26821 8416SOL OW26819 3.694 5.014 6.969 1.3304 -0.5035 0.0832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26822 8416SOL HW126820 3.617 5.070 7.002 1.3135 -1.5746 2.0342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26823 8416SOL HW226821 3.778 5.067 6.975 0.7015 1.0058 -2.9547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26824 8417SOL OW26822 4.208 4.279 6.498 0.1095 -0.0340 0.1965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26825 8417SOL HW126823 4.274 4.339 6.453 -1.7748 0.3544 -2.2864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26826 8417SOL HW226824 4.202 4.302 6.595 1.3298 2.0221 -0.1609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26827 8418SOL OW26825 3.607 3.863 6.087 -0.3511 0.3968 -0.4512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26828 8418SOL HW126826 3.547 3.824 6.017 -0.0166 0.0141 -0.5250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26829 8418SOL HW226827 3.562 3.856 6.176 -0.7782 0.8880 -0.6269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26830 8419SOL OW26828 5.233 4.095 5.967 0.0405 -0.6970 -0.0273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26831 8419SOL HW126829 5.240 4.023 6.036 0.7575 -0.7081 -0.1044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26832 8419SOL HW226830 5.199 4.179 6.010 -2.3669 -1.4767 -0.2390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26833 8420SOL OW26831 4.657 4.334 6.328 -0.1414 -0.7649 -0.7949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26834 8420SOL HW126832 4.599 4.371 6.401 -0.1527 0.2956 -1.3162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26835 8420SOL HW226833 4.672 4.236 6.343 -1.4478 -0.8977 -0.2395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26836 8421SOL OW26834 5.406 4.942 7.049 0.2350 -0.0359 0.3318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26837 8421SOL HW126835 5.454 5.029 7.045 0.1977 -0.0028 0.6022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26838 8421SOL HW226836 5.380 4.922 7.144 -1.6847 0.7028 0.0130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26839 8422SOL OW26837 5.216 3.802 5.603 0.5773 0.1263 -0.1852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26840 8422SOL HW126838 5.145 3.737 5.576 0.6190 -0.2406 0.5612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26841 8422SOL HW226839 5.175 3.881 5.647 0.5771 0.2748 -0.4511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26842 8423SOL OW26840 5.213 4.432 5.417 0.3674 0.1004 0.2093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26843 8423SOL HW126841 5.156 4.362 5.461 1.4535 -1.8825 -1.3587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26844 8423SOL HW226842 5.183 4.444 5.323 0.6449 1.2858 0.2587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26845 8424SOL OW26843 4.735 5.072 6.412 -0.2566 0.6110 -0.5342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26846 8424SOL HW126844 4.751 4.974 6.400 0.0278 0.5638 0.1974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26847 8424SOL HW226845 4.822 5.119 6.421 -0.3628 1.0355 -1.5710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26848 8425SOL OW26846 3.980 4.271 6.353 -0.0162 -0.1434 -0.0981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26849 8425SOL HW126847 4.057 4.272 6.418 -0.7645 0.6483 0.8104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26850 8425SOL HW226848 3.912 4.204 6.384 -1.0014 1.1943 0.7283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26851 8426SOL OW26849 3.838 4.049 6.475 -0.7691 -0.3440 -0.3650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26852 8426SOL HW126850 3.783 3.988 6.532 0.2690 -1.6145 -0.6473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26853 8426SOL HW226851 3.919 3.999 6.443 -1.2998 0.2873 -2.9480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26854 8427SOL OW26852 4.896 3.852 7.008 1.5713 -0.8485 0.1960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26855 8427SOL HW126853 4.930 3.793 7.081 -0.3959 -4.1422 -1.3149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26856 8427SOL HW226854 4.943 3.829 6.922 0.3576 -0.6161 -0.5537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26857 8428SOL OW26855 3.548 5.035 5.760 -0.0626 -0.2306 0.2841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26858 8428SOL HW126856 3.520 5.129 5.776 1.4185 0.3815 -0.4746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26859 8428SOL HW226857 3.586 5.027 5.668 0.9213 -1.2814 0.7513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26860 8429SOL OW26858 3.756 5.231 6.246 0.0089 0.2350 0.1779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26861 8429SOL HW126859 3.669 5.190 6.274 -0.0388 0.5431 0.4823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26862 8429SOL HW226860 3.807 5.260 6.327 -0.8815 2.6984 -0.0721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26863 8430SOL OW26861 4.193 5.198 6.609 0.3654 -0.1064 0.5814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26864 8430SOL HW126862 4.258 5.274 6.616 -0.4413 0.8013 -1.2212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26865 8430SOL HW226863 4.230 5.129 6.546 0.1552 -0.2054 0.5686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26866 8431SOL OW26864 4.634 4.444 6.655 -0.2530 -0.2403 -0.2371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26867 8431SOL HW126865 4.718 4.492 6.680 -1.0110 0.5050 0.9678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26868 8431SOL HW226866 4.615 4.373 6.723 -0.5576 -0.4789 -0.5670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26869 8432SOL OW26867 3.828 4.280 6.633 -0.4143 -0.4220 -0.2728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26870 8432SOL HW126868 3.830 4.192 6.586 1.7925 -1.2495 1.2171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26871 8432SOL HW226869 3.825 4.265 6.732 -0.4641 1.2026 0.0028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26872 8433SOL OW26870 4.581 4.166 5.772 0.4270 -0.2646 -0.0449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26873 8433SOL HW126871 4.539 4.228 5.706 -0.1656 -2.5197 -1.9234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26874 8433SOL HW226872 4.532 4.173 5.859 -1.3151 0.0709 -0.9921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26875 8434SOL OW26873 5.498 4.258 6.590 0.5330 -0.3057 0.0236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26876 8434SOL HW126874 5.490 4.209 6.677 0.3837 2.9067 1.9555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26877 8434SOL HW226875 5.592 4.289 6.577 -0.0277 1.7055 0.5352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26878 8435SOL OW26876 4.093 5.045 7.227 0.6845 0.3669 -0.1198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26879 8435SOL HW126877 4.187 5.079 7.216 0.9626 -0.5170 -0.5846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26880 8435SOL HW226878 4.086 4.954 7.186 -0.0086 -0.1964 1.2015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26881 8436SOL OW26879 4.422 3.931 6.619 0.1318 -0.2093 -0.2087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26882 8436SOL HW126880 4.446 3.836 6.638 -0.4978 -0.2034 0.6702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26883 8436SOL HW226881 4.365 3.967 6.693 1.0215 1.1012 -0.1258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26884 8437SOL OW26882 4.679 5.402 6.928 0.8295 -0.2470 -0.1155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26885 8437SOL HW126883 4.618 5.352 6.867 0.3550 0.1651 0.0069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26886 8437SOL HW226884 4.718 5.480 6.879 -1.9618 1.9431 0.8871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26887 8438SOL OW26885 4.241 4.237 5.564 -0.2060 0.3129 0.3895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26888 8438SOL HW126886 4.314 4.274 5.621 -0.1839 1.0234 -0.0847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26889 8438SOL HW226887 4.168 4.304 5.554 -0.2646 0.1611 -0.3047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26890 8439SOL OW26888 4.068 4.631 6.930 -0.0228 -0.1113 -0.0898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26891 8439SOL HW126889 4.041 4.584 7.013 -0.6453 -0.1404 -0.3002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26892 8439SOL HW226890 4.041 4.576 6.850 0.7560 -0.1869 -0.3094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26893 8440SOL OW26891 4.907 4.585 6.748 -0.2341 -0.0069 0.4652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26894 8440SOL HW126892 4.942 4.535 6.669 -0.2142 -1.4183 1.3383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26895 8440SOL HW226893 4.881 4.677 6.719 -2.5241 -1.2218 -1.7423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26896 8441SOL OW26894 5.184 4.441 5.788 0.0535 0.5636 -0.2176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26897 8441SOL HW126895 5.096 4.440 5.740 0.3878 -1.2265 -0.9102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26898 8441SOL HW226896 5.258 4.428 5.721 0.4848 -2.9796 0.7056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26899 8442SOL OW26897 5.467 5.346 6.927 -1.0772 -0.3432 -0.8386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26900 8442SOL HW126898 5.520 5.375 6.847 -0.7885 1.9551 0.1188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26901 8442SOL HW226899 5.510 5.265 6.967 -0.4814 -0.7581 -2.2298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26902 8443SOL OW26900 4.956 5.261 6.429 -0.2479 -0.3752 -0.0322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26903 8443SOL HW126901 5.050 5.294 6.438 -0.4284 -0.1832 1.2299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26904 8443SOL HW226902 4.914 5.252 6.519 -1.2350 -1.0838 -0.5399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26905 8444SOL OW26903 3.740 4.858 6.737 -0.5684 -0.2445 -0.2487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26906 8444SOL HW126904 3.719 4.918 6.814 0.3535 -1.9238 1.3965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26907 8444SOL HW226905 3.695 4.769 6.750 1.7385 -1.4881 -0.1850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26908 8445SOL OW26906 5.547 3.957 6.021 -0.1157 -0.4215 -0.1112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26909 8445SOL HW126907 5.575 4.011 5.942 0.2360 0.6445 0.7298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26910 8445SOL HW226908 5.468 3.901 5.996 -1.6634 1.8133 -0.5142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26911 8446SOL OW26909 5.233 5.286 6.113 0.3482 -0.6415 -0.2026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26912 8446SOL HW126910 5.275 5.311 6.026 1.2977 0.1116 0.4465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26913 8446SOL HW226911 5.182 5.365 6.149 0.6968 -0.6536 0.3342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26914 8447SOL OW26912 4.917 4.596 6.111 -0.0598 0.0332 0.3266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26915 8447SOL HW126913 4.996 4.569 6.167 -1.0243 -1.8269 0.8682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26916 8447SOL HW226914 4.946 4.664 6.044 2.0178 -0.6347 0.4687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26917 8448SOL OW26915 4.641 5.022 7.238 0.4681 0.5365 0.5169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26918 8448SOL HW126916 4.706 5.035 7.313 0.0031 1.6384 0.7579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26919 8448SOL HW226917 4.565 5.087 7.249 -0.2118 -0.1033 -0.2575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26920 8449SOL OW26918 4.327 5.200 5.783 0.1351 -0.4898 0.7485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26921 8449SOL HW126919 4.287 5.264 5.717 -0.9359 -1.6084 0.2834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26922 8449SOL HW226920 4.256 5.166 5.844 0.4280 -2.1671 0.2018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26923 8450SOL OW26921 5.226 5.419 6.954 0.3496 0.1049 -0.5949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26924 8450SOL HW126922 5.324 5.398 6.956 0.6130 1.2854 -0.6269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26925 8450SOL HW226923 5.194 5.440 7.046 -0.0930 -1.1637 -0.4374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26926 8451SOL OW26924 5.348 3.831 6.448 -0.3796 -0.2495 -0.1212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26927 8451SOL HW126925 5.405 3.752 6.428 -0.9687 -1.0197 1.1248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26928 8451SOL HW226926 5.252 3.803 6.451 -0.6386 0.6065 -0.1394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26929 8452SOL OW26927 3.436 3.997 6.306 0.5826 -0.2882 -0.3275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26930 8452SOL HW126928 3.411 4.051 6.225 0.7188 -0.3595 -0.4159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26931 8452SOL HW226929 3.428 4.054 6.388 0.8415 -0.1002 -0.4328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26932 8453SOL OW26930 4.831 5.476 5.676 -0.5993 0.0812 -0.0827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26933 8453SOL HW126931 4.739 5.436 5.676 -0.0238 -1.3074 0.2896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26934 8453SOL HW226932 4.856 5.502 5.583 -1.1159 -0.1286 -0.2860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26935 8454SOL OW26933 4.535 4.661 6.921 -0.2202 -0.2328 -0.1209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26936 8454SOL HW126934 4.561 4.689 6.828 0.0832 -0.4967 -0.1177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26937 8454SOL HW226935 4.466 4.724 6.956 -1.1400 -0.7452 -0.9445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26938 8455SOL OW26936 4.689 4.675 5.828 0.8205 -0.1943 -0.1168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26939 8455SOL HW126937 4.663 4.739 5.756 0.3074 -0.2631 0.0034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26940 8455SOL HW226938 4.788 4.682 5.845 0.6183 1.3154 0.6223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26941 8456SOL OW26939 5.069 5.310 5.692 -0.1495 -0.1746 0.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26942 8456SOL HW126940 4.981 5.353 5.715 0.3415 0.3835 0.9505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26943 8456SOL HW226941 5.081 5.311 5.593 0.3365 2.8012 0.0624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26944 8457SOL OW26942 4.152 4.822 7.097 0.3514 0.7739 0.0311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26945 8457SOL HW126943 4.239 4.857 7.061 1.6345 -0.8182 1.4086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26946 8457SOL HW226944 4.120 4.747 7.040 -0.5657 1.8509 -0.9167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26947 8458SOL OW26945 5.222 4.965 6.859 0.5775 0.0215 0.4854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26948 8458SOL HW126946 5.278 4.943 6.939 -0.1254 -0.2813 0.8938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26949 8458SOL HW226947 5.166 5.045 6.878 0.1371 -0.2702 0.4270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26950 8459SOL OW26948 4.742 4.781 6.373 -0.2430 0.4758 -0.2459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26951 8459SOL HW126949 4.681 4.733 6.309 0.7158 0.8589 -1.4911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26952 8459SOL HW226950 4.837 4.759 6.353 0.1374 1.4971 0.3098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26953 8460SOL OW26951 4.810 3.830 6.472 0.3032 0.4788 0.5509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26954 8460SOL HW126952 4.760 3.771 6.408 1.3997 -0.9847 0.9915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26955 8460SOL HW226953 4.777 3.813 6.565 0.3030 0.9099 0.6289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26956 8461SOL OW26954 4.300 4.987 6.151 -0.4832 -0.5572 -0.2727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26957 8461SOL HW126955 4.372 4.947 6.094 -1.6469 0.7246 -2.7834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26958 8461SOL HW226956 4.213 4.943 6.130 -0.6851 -1.3374 1.9503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26959 8462SOL OW26957 5.496 4.537 7.222 -0.3443 -0.0700 0.3041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26960 8462SOL HW126958 5.423 4.469 7.227 -1.2353 0.7540 -0.7440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26961 8462SOL HW226959 5.473 4.605 7.152 1.1629 0.5473 0.3655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26962 8463SOL OW26960 3.768 4.983 5.962 0.1469 -0.7525 0.2109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26963 8463SOL HW126961 3.699 4.972 5.890 0.1715 -0.4941 0.1481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26964 8463SOL HW226962 3.725 5.015 6.046 0.5166 2.0893 -0.5610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26965 8464SOL OW26963 3.872 4.495 7.085 -0.5182 -0.3006 -0.2407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26966 8464SOL HW126964 3.779 4.499 7.050 -1.1306 -1.5500 1.1235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26967 8464SOL HW226965 3.874 4.526 7.180 0.0637 -2.1173 0.3844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26968 8465SOL OW26966 4.485 3.677 7.005 0.1125 -0.3651 0.4259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26969 8465SOL HW126967 4.516 3.762 6.961 -0.9108 -0.5533 -0.7059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26970 8465SOL HW226968 4.564 3.629 7.042 0.7924 0.7468 0.4915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26971 8466SOL OW26969 3.855 3.913 5.470 0.0851 -0.2327 -0.1019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26972 8466SOL HW126970 3.777 3.975 5.468 0.7450 0.6569 -3.4644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26973 8466SOL HW226971 3.938 3.963 5.443 1.3357 -1.8110 0.6375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26974 8467SOL OW26972 5.062 4.588 6.986 -0.6054 0.1271 0.3460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26975 8467SOL HW126973 5.019 4.574 6.897 -0.0557 -1.5063 0.3132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26976 8467SOL HW226974 5.161 4.573 6.977 -0.3689 1.2232 0.9742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26977 8468SOL OW26975 3.788 3.899 5.778 -0.0088 0.0006 0.2656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26978 8468SOL HW126976 3.814 3.920 5.684 -1.1088 0.6673 0.0956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26979 8468SOL HW226977 3.843 3.954 5.841 0.0935 0.2201 -0.0140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26980 8469SOL OW26978 4.769 5.164 5.719 -0.0803 -0.0127 0.7920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26981 8469SOL HW126979 4.685 5.110 5.718 0.1015 -0.3011 0.7480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26982 8469SOL HW226980 4.840 5.114 5.769 0.4110 -0.3137 -0.1675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26983 8470SOL OW26981 4.413 4.420 6.914 0.0709 -0.0352 -0.4104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26984 8470SOL HW126982 4.440 4.516 6.923 2.2911 -0.7048 0.9186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26985 8470SOL HW226983 4.495 4.363 6.915 -1.3142 -2.1339 1.4161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26986 8471SOL OW26984 5.178 5.397 6.435 -0.1294 -0.7369 0.4712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26987 8471SOL HW126985 5.230 5.444 6.506 1.6195 -0.5004 -0.8956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26988 8471SOL HW226986 5.193 5.442 6.347 -1.2986 -1.7192 -0.2733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26989 8472SOL OW26987 4.681 4.028 7.051 -0.0304 0.1004 0.1738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26990 8472SOL HW126988 4.679 4.108 7.112 1.5474 0.8144 -0.6491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26991 8472SOL HW226989 4.772 3.989 7.049 0.4868 1.1233 -2.9272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26992 8473SOL OW26990 3.922 5.141 7.022 -0.0969 0.2512 0.0998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26993 8473SOL HW126991 3.894 5.236 7.035 -0.4139 0.1922 -0.1540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26994 8473SOL HW226992 3.989 5.116 7.093 0.5020 0.8673 -0.2410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26995 8474SOL OW26993 5.354 4.452 6.695 0.3103 0.1624 -0.0364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26996 8474SOL HW126994 5.426 4.402 6.647 1.7315 0.8766 1.2976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26997 8474SOL HW226995 5.324 4.530 6.640 1.1609 0.3553 -0.2314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26998 8475SOL OW26996 4.865 3.910 5.840 0.1247 -0.1432 -0.4904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
26999 8475SOL HW126997 4.942 3.847 5.845 0.2433 0.0814 1.1260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27000 8475SOL HW226998 4.874 3.980 5.911 -1.4677 -0.0088 -0.3720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27001 8476SOL OW26999 4.460 4.217 6.027 0.3262 -0.0640 -0.9310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27002 8476SOL HW127000 4.485 4.298 6.081 0.5804 1.3719 -3.0869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27003 8476SOL HW227001 4.369 4.186 6.054 1.0378 -0.3581 1.3552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27004 8477SOL OW27002 5.320 4.565 6.946 -0.3566 -0.0020 0.5003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27005 8477SOL HW127003 5.409 4.605 6.962 -0.8189 1.2588 0.0521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27006 8477SOL HW227004 5.316 4.530 6.852 0.3718 -2.0431 1.1839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27007 8478SOL OW27005 4.542 5.035 5.770 -0.4384 -0.1616 0.4971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27008 8478SOL HW127006 4.574 5.032 5.865 0.2519 -0.3621 0.2633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27009 8478SOL HW227007 4.455 5.084 5.766 0.7259 2.0944 0.8981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27010 8479SOL OW27008 4.336 5.426 6.598 0.2371 0.2422 0.3966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27011 8479SOL HW127009 4.347 5.482 6.680 0.6195 0.8732 -0.0843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27012 8479SOL HW227010 4.382 5.469 6.521 -1.2818 0.3455 -0.4831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27013 8480SOL OW27011 4.436 4.454 6.478 0.4070 -0.0921 0.7481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27014 8480SOL HW127012 4.512 4.446 6.543 2.7516 0.0196 -1.7885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27015 8480SOL HW227013 4.408 4.550 6.471 2.4728 0.4541 -0.7912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27016 8481SOL OW27014 4.897 4.850 5.514 0.1000 -0.5753 0.3247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27017 8481SOL HW127015 4.799 4.831 5.506 -0.0439 0.6715 -1.4419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27018 8481SOL HW227016 4.933 4.877 5.424 1.5218 1.4341 1.4247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27019 8482SOL OW27017 5.601 5.179 6.304 0.5969 -0.2618 0.3711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27020 8482SOL HW127018 5.518 5.141 6.345 1.3073 -0.4726 1.6453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27021 8482SOL HW227019 5.666 5.105 6.286 0.8503 0.0128 0.1520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27022 8483SOL OW27020 3.846 4.851 6.348 0.3815 0.2708 -0.1870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27023 8483SOL HW127021 3.748 4.837 6.360 0.5256 -1.5404 -0.7722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27024 8483SOL HW227022 3.883 4.900 6.427 -0.7409 -0.3551 0.7661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27025 8484SOL OW27023 4.463 5.242 0.043 -0.4771 -1.1213 -0.0685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27026 8484SOL HW127024 4.462 5.342 0.049 1.6009 -1.0647 -0.1525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27027 8484SOL HW227025 4.426 5.214 -0.045 1.9418 -0.2149 -1.4774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27028 8485SOL OW27026 5.270 3.962 6.733 -0.0572 0.0732 0.5329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27029 8485SOL HW127027 5.331 3.997 6.804 -0.6653 -1.4868 1.8817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27030 8485SOL HW227028 5.324 3.940 6.651 0.7828 1.1089 0.7927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27031 8486SOL OW27029 4.023 3.968 6.198 -0.1294 0.2269 0.0465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27032 8486SOL HW127030 4.061 3.899 6.136 2.5033 0.4595 1.2626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27033 8486SOL HW227031 3.930 3.991 6.169 0.1980 -1.2280 -2.4927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27034 8487SOL OW27032 5.374 4.932 6.623 -0.1146 -0.2250 -0.2353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27035 8487SOL HW127033 5.371 5.001 6.551 1.9884 0.8957 0.6442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27036 8487SOL HW227034 5.306 4.954 6.694 -0.8319 -0.2255 -0.9102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27037 8488SOL OW27035 4.025 3.960 6.814 -0.0547 0.3386 0.1978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27038 8488SOL HW127036 4.045 3.902 6.893 -0.5583 0.8358 0.6968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27039 8488SOL HW227037 3.986 3.904 6.741 0.1574 -0.0752 0.3985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27040 8489SOL OW27038 4.337 5.264 6.261 -0.0388 -0.1945 0.2729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27041 8489SOL HW127039 4.379 5.264 6.352 -0.2820 -1.1641 0.4035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27042 8489SOL HW227040 4.304 5.172 6.240 -3.4154 0.7364 0.8073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27043 8490SOL OW27041 5.027 3.816 6.749 -0.3784 -0.4585 -0.2284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27044 8490SOL HW127042 5.106 3.877 6.746 0.0742 -1.0363 -0.2578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27045 8490SOL HW227043 5.051 3.728 6.707 -1.5299 -0.0989 -1.6991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27046 8491SOL OW27044 4.763 3.631 6.722 0.0018 0.5802 0.1466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27047 8491SOL HW127045 4.752 3.563 6.649 0.6569 2.0526 -1.3866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27048 8491SOL HW227046 4.851 3.618 6.767 0.0236 0.2982 0.0261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27049 8492SOL OW27047 4.515 4.867 6.034 -0.0810 0.2501 -0.3471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27050 8492SOL HW127048 4.557 4.779 6.054 -0.8359 -0.2812 -1.0262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27051 8492SOL HW227049 4.584 4.939 6.041 0.3406 -0.2490 1.1765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27052 8493SOL OW27050 4.383 5.164 7.051 -0.0428 -1.0217 -0.1985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27053 8493SOL HW127051 4.307 5.224 7.025 0.8410 1.2258 1.9879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27054 8493SOL HW227052 4.450 5.162 6.976 0.2531 1.4302 -0.0885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27055 8494SOL OW27053 4.997 3.603 5.635 -0.4178 -0.6736 0.5636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27056 8494SOL HW127054 5.047 3.517 5.630 -2.4528 -2.0822 2.2936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27057 8494SOL HW227055 4.925 3.595 5.705 -0.6143 2.4844 0.8451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27058 8495SOL OW27056 4.939 4.112 6.022 -0.4427 0.3131 -0.3368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27059 8495SOL HW127057 4.987 4.198 6.041 -1.9197 1.0447 0.2643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27060 8495SOL HW227058 4.844 4.120 6.052 -0.7143 -1.4103 -0.6364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27061 8496SOL OW27059 5.085 3.748 6.433 -0.0278 0.2081 0.4730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27062 8496SOL HW127060 4.989 3.762 6.460 -0.0024 1.7243 -0.1302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27063 8496SOL HW227061 5.088 3.701 6.345 -0.2123 0.1294 0.5069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27064 8497SOL OW27062 4.018 4.726 5.952 0.1173 -0.0201 0.8935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27065 8497SOL HW127063 4.075 4.662 5.901 0.0710 -0.3971 1.3089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27066 8497SOL HW227064 3.927 4.687 5.965 -0.1100 0.4046 0.5912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27067 8498SOL OW27065 4.478 5.336 5.989 -0.0885 0.0482 -0.2647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27068 8498SOL HW127066 4.428 5.302 5.909 -0.9684 0.5489 0.0643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27069 8498SOL HW227067 4.449 5.429 6.011 -0.3285 -0.3047 1.0148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27070 8499SOL OW27068 3.792 5.908 0.070 0.1055 0.0556 -0.3304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27071 8499SOL HW127069 3.786 5.836 0.140 -0.3220 0.1172 -0.3044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27072 8499SOL HW227070 3.880 5.955 0.079 -0.3690 0.7702 0.8618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27073 8500SOL OW27071 3.772 5.894 0.963 0.3539 -0.0050 -0.2881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27074 8500SOL HW127072 3.802 5.872 1.056 -1.1242 0.7484 0.4110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27075 8500SOL HW227073 3.730 5.813 0.921 -0.2293 0.0165 0.2402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27076 8501SOL OW27074 3.728 5.751 0.576 -0.3922 0.0586 -0.8028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27077 8501SOL HW127075 3.664 5.822 0.605 -0.4883 0.4690 -1.9347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27078 8501SOL HW227076 3.684 5.662 0.584 -0.8141 0.2641 -0.7746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27079 8502SOL OW27077 4.241 6.618 1.220 0.1800 0.2519 -0.5978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27080 8502SOL HW127078 4.218 6.628 1.123 1.1440 0.1322 -0.8478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27081 8502SOL HW227079 4.187 6.683 1.273 -0.6823 0.0129 -1.1588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27082 8503SOL OW27080 4.974 7.188 0.698 -0.2757 -0.0088 -0.4488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27083 8503SOL HW127081 4.984 7.154 0.792 2.3409 -0.2761 -0.7387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27084 8503SOL HW227082 4.878 7.186 0.672 -1.4903 2.3053 3.0272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27085 8504SOL OW27083 4.873 6.420 0.557 0.0278 -0.0235 0.2872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27086 8504SOL HW127084 4.924 6.503 0.535 -0.1446 -0.4033 -1.8047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27087 8504SOL HW227085 4.902 6.386 0.646 -0.4297 2.6527 1.5595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27088 8505SOL OW27086 5.427 6.278 0.181 -0.3090 0.1964 0.0864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27089 8505SOL HW127087 5.423 6.264 0.082 -0.8504 0.0093 0.1300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27090 8505SOL HW227088 5.343 6.244 0.222 -0.1185 0.3491 0.6041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27091 8506SOL OW27089 4.184 6.660 0.951 0.3460 0.4443 0.0202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27092 8506SOL HW127090 4.108 6.721 0.977 -0.1312 -0.4953 0.8991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27093 8506SOL HW227091 4.251 6.712 0.898 -0.7809 1.3590 -0.5537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27094 8507SOL OW27092 4.554 6.304 1.768 -0.2686 -0.2607 -0.2676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27095 8507SOL HW127093 4.599 6.372 1.824 0.9121 -1.6917 0.5874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27096 8507SOL HW227094 4.558 6.331 1.672 -2.1329 2.1130 0.2349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27097 8508SOL OW27095 4.264 6.552 0.524 0.2068 -0.3618 0.3351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27098 8508SOL HW127096 4.275 6.517 0.617 1.0158 0.8568 0.7263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27099 8508SOL HW227097 4.185 6.612 0.520 1.3066 1.1737 0.7660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27100 8509SOL OW27098 4.327 6.624 2.129 0.0946 0.5799 0.3924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27101 8509SOL HW127099 4.353 6.711 2.170 1.9121 0.8021 -1.1185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27102 8509SOL HW227100 4.409 6.574 2.102 -0.9538 -1.1004 0.1725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27103 8510SOL OW27101 3.966 6.822 1.028 0.0761 1.2080 -0.4615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27104 8510SOL HW127102 3.889 6.773 1.068 0.6038 0.3853 -0.4498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27105 8510SOL HW227103 3.935 6.869 0.945 -0.2117 0.0016 -1.0660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27106 8511SOL OW27104 5.154 6.957 1.319 -0.1430 -0.0229 0.2216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27107 8511SOL HW127105 5.204 7.042 1.337 0.1806 -0.1806 0.0569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27108 8511SOL HW227106 5.209 6.879 1.346 -0.1431 -0.2113 -0.3095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27109 8512SOL OW27107 4.133 5.869 1.386 -0.2209 0.0654 -0.3984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27110 8512SOL HW127108 4.211 5.806 1.389 0.3744 0.8093 1.5035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27111 8512SOL HW227109 4.052 5.822 1.420 -0.2174 -0.2150 -0.7670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27112 8513SOL OW27110 5.264 6.026 0.685 0.2666 0.0655 0.4077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27113 8513SOL HW127111 5.273 6.112 0.636 -1.1047 0.4067 0.7172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27114 8513SOL HW227112 5.260 6.043 0.784 2.6771 -0.5903 0.6907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27115 8514SOL OW27113 4.716 6.985 1.667 -0.0178 -0.0476 -0.1299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27116 8514SOL HW127114 4.786 6.964 1.735 0.4944 -2.2246 -1.2245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27117 8514SOL HW227115 4.645 6.915 1.669 -0.3893 0.2709 -1.3073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27118 8515SOL OW27116 3.617 0.127 0.400 -0.6539 -0.1952 -0.8348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27119 8515SOL HW127117 3.694 0.164 0.452 -1.9397 1.4018 -0.0005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27120 8515SOL HW227118 3.588 0.192 0.330 -1.9207 -0.2936 -0.4324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27121 8516SOL OW27119 3.892 6.453 0.505 0.9501 0.4042 0.1662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27122 8516SOL HW127120 3.925 6.359 0.499 -0.0552 0.0803 -0.8085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27123 8516SOL HW227121 3.827 6.461 0.580 2.8085 0.9303 1.7864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27124 8517SOL OW27122 4.467 6.220 0.011 -0.0621 0.2732 0.2542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27125 8517SOL HW127123 4.505 6.166 -0.064 -1.1520 -0.0046 -0.1109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27126 8517SOL HW227124 4.530 6.218 0.089 0.8406 0.1347 -0.4572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27127 8518SOL OW27125 4.985 5.708 1.051 0.4330 -0.4547 -0.0860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27128 8518SOL HW127126 5.011 5.625 1.100 0.1921 -0.9465 -0.7697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27129 8518SOL HW227127 5.025 5.787 1.096 1.8891 -1.0551 -0.2647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27130 8519SOL OW27128 3.676 6.154 0.527 0.1064 0.4862 0.0941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27131 8519SOL HW127129 3.651 6.069 0.574 -1.3393 0.8310 -0.0099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27132 8519SOL HW227130 3.639 6.232 0.576 -1.2131 0.8711 -1.4335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27133 8520SOL OW27131 3.701 7.153 0.217 0.7024 0.4626 0.1191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27134 8520SOL HW127132 3.790 7.189 0.243 -0.0345 1.2992 1.5940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27135 8520SOL HW227133 3.629 7.201 0.267 -0.6143 0.0055 -1.2439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27136 8521SOL OW27134 5.769 6.491 0.561 0.2328 0.2374 -0.0101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27137 8521SOL HW127135 5.862 6.487 0.523 -0.2995 -1.6812 -1.2706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27138 8521SOL HW227136 5.712 6.424 0.515 -1.7110 1.1136 1.0180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27139 8522SOL OW27137 5.197 6.702 0.348 -0.1869 0.4541 -0.0890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27140 8522SOL HW127138 5.288 6.664 0.334 -0.5995 -0.8857 0.7388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27141 8522SOL HW227139 5.204 6.788 0.399 0.5157 -0.6312 1.7210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27142 8523SOL OW27140 3.604 6.284 1.393 -0.2429 -0.0892 -0.0190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27143 8523SOL HW127141 3.648 6.369 1.363 -2.4617 0.6722 -1.3385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27144 8523SOL HW227142 3.605 6.281 1.493 -0.3819 1.6461 0.0685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27145 8524SOL OW27143 4.196 6.883 0.586 0.1356 0.3785 0.3998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27146 8524SOL HW127144 4.146 6.809 0.541 -1.5782 0.3405 2.2546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27147 8524SOL HW227145 4.145 6.969 0.574 -0.7815 0.2317 2.8291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27148 8525SOL OW27146 4.678 6.575 1.606 -0.0697 0.1039 -0.5054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27149 8525SOL HW127147 4.634 6.501 1.555 0.9591 -0.3661 -0.7269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27150 8525SOL HW227148 4.764 6.599 1.562 -0.3001 1.3142 -0.3262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27151 8526SOL OW27149 4.427 5.772 0.680 0.0962 -0.1413 -0.1999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27152 8526SOL HW127150 4.475 5.742 0.598 4.6734 -0.4814 2.2324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27153 8526SOL HW227151 4.367 5.849 0.658 3.0799 1.5274 -3.4975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27154 8527SOL OW27152 3.804 6.476 1.332 -0.4704 0.1327 0.3216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27155 8527SOL HW127153 3.884 6.418 1.346 -1.2421 -1.1006 -0.2566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27156 8527SOL HW227154 3.817 6.532 1.250 -0.1477 0.0384 0.3082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27157 8528SOL OW27155 5.030 6.648 0.118 0.6123 -0.0814 -0.0408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27158 8528SOL HW127156 5.057 6.620 0.026 0.8299 -0.3830 0.1121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27159 8528SOL HW227157 5.110 6.650 0.178 0.8173 2.0400 -0.3216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27160 8529SOL OW27158 4.119 5.814 1.737 0.1169 0.1622 0.5754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27161 8529SOL HW127159 4.133 5.861 1.824 1.0300 -2.3843 1.9219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27162 8529SOL HW227160 4.039 5.852 1.691 -0.2832 1.7327 2.4159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27163 8530SOL OW27161 5.058 7.053 0.936 0.2117 0.2890 0.1823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27164 8530SOL HW127162 5.091 6.960 0.921 0.1064 0.5255 -1.8540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27165 8530SOL HW227163 4.978 7.051 0.996 -0.6234 -1.1006 -0.9130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27166 8531SOL OW27164 4.293 6.008 0.110 -0.2602 -0.2052 -0.1844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27167 8531SOL HW127165 4.358 6.083 0.096 1.7436 -1.3159 2.2777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27168 8531SOL HW227166 4.204 6.033 0.071 0.6904 2.8214 -0.6891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27169 8532SOL OW27167 4.900 6.063 0.876 0.1659 -0.1201 -0.3001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27170 8532SOL HW127168 4.805 6.074 0.903 0.3306 -0.9659 0.7294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27171 8532SOL HW227169 4.913 5.972 0.835 0.6931 -0.4112 0.4679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27172 8533SOL OW27170 5.315 7.080 0.219 0.5836 -0.6814 -0.1986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27173 8533SOL HW127171 5.414 7.089 0.228 0.6968 -1.9399 -0.1234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27174 8533SOL HW227172 5.277 7.037 0.301 -0.0827 0.1044 -0.0756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27175 8534SOL OW27173 4.302 6.023 1.518 0.2377 0.3493 -0.0973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27176 8534SOL HW127174 4.305 5.996 1.615 0.7030 -0.2176 -0.2634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27177 8534SOL HW227175 4.224 5.980 1.474 -0.0201 0.6711 0.0407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27178 8535SOL OW27176 5.027 6.118 1.549 0.4391 -0.2540 0.6956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27179 8535SOL HW127177 5.016 6.086 1.643 0.4269 -0.1557 0.7276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27180 8535SOL HW227178 5.092 6.059 1.501 -0.0746 -0.7164 0.5615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27181 8536SOL OW27179 4.559 6.380 1.477 0.1832 -0.0796 -0.0309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27182 8536SOL HW127180 4.577 6.285 1.451 2.1563 0.1227 0.4426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27183 8536SOL HW227181 4.582 6.440 1.400 0.8986 0.1384 0.3424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27184 8537SOL OW27182 4.647 5.996 0.977 0.1943 -0.3110 -0.4352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27185 8537SOL HW127183 4.548 6.012 0.969 0.1891 1.2794 1.9310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27186 8537SOL HW227184 4.668 5.905 0.942 -2.0398 -0.5854 -1.2832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27187 8538SOL OW27185 4.540 6.187 0.319 -0.0969 0.2324 0.3583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27188 8538SOL HW127186 4.518 6.113 0.384 0.7172 -0.7724 -0.4723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27189 8538SOL HW227187 4.479 6.265 0.336 -2.6523 -1.4928 -0.2447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27190 8539SOL OW27188 3.709 6.486 0.742 0.3914 -0.3636 0.3501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27191 8539SOL HW127189 3.734 6.409 0.801 1.6360 0.0897 0.4542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27192 8539SOL HW227190 3.661 6.555 0.796 0.1398 -0.6382 0.4790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27193 8540SOL OW27191 3.792 0.043 1.529 0.0760 0.0064 0.0815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27194 8540SOL HW127192 3.720 0.068 1.464 0.2559 -1.3284 -0.6574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27195 8540SOL HW227193 3.826 -0.048 1.508 1.6431 0.4199 0.7358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27196 8541SOL OW27194 4.522 5.714 0.146 -0.0930 -0.2635 0.1820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27197 8541SOL HW127195 4.557 5.792 0.095 -0.8559 0.5477 0.8766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27198 8541SOL HW227196 4.517 5.634 0.085 1.4849 -0.0135 -0.3161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27199 8542SOL OW27197 5.346 6.147 1.599 -0.1541 -0.0328 0.0734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27200 8542SOL HW127198 5.308 6.237 1.579 1.0434 0.3438 -0.5714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27201 8542SOL HW227199 5.307 6.080 1.536 -1.0186 0.0218 0.5303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27202 8543SOL OW27200 4.945 6.685 0.498 0.3080 -0.3259 -0.5960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27203 8543SOL HW127201 5.017 6.675 0.429 2.0420 -0.7637 1.1751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27204 8543SOL HW227202 4.874 6.747 0.464 1.9669 0.8505 -2.0884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27205 8544SOL OW27203 4.353 5.641 0.913 0.4499 0.1932 0.1213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27206 8544SOL HW127204 4.330 5.696 0.993 0.4611 -0.8369 0.8544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27207 8544SOL HW227205 4.347 5.697 0.831 -1.7147 0.7353 0.5985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27208 8545SOL OW27206 4.602 7.081 0.496 0.0277 -0.2504 -0.5337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27209 8545SOL HW127207 4.526 7.083 0.432 0.5016 -2.4728 -1.2804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27210 8545SOL HW227208 4.647 7.170 0.498 -1.2922 0.4713 -1.6823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27211 8546SOL OW27209 3.982 7.118 0.604 -0.0222 0.1505 -0.0734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27212 8546SOL HW127210 3.911 7.079 0.546 -0.6134 -0.6598 1.1469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27213 8546SOL HW227211 4.018 7.201 0.562 -3.0480 1.7184 0.1505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27214 8547SOL OW27212 5.299 6.618 0.813 0.5307 -0.2325 -0.1855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27215 8547SOL HW127213 5.349 6.678 0.751 1.4342 -1.5371 -0.7595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27216 8547SOL HW227214 5.218 6.666 0.847 0.4475 0.7972 -1.7248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27217 8548SOL OW27215 4.902 6.848 1.448 0.0588 -0.6476 -0.2174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27218 8548SOL HW127216 4.826 6.889 1.498 -0.4396 -2.3745 0.5072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27219 8548SOL HW227217 4.983 6.907 1.455 -0.4610 -0.0722 1.2435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27220 8549SOL OW27218 4.061 6.475 0.011 0.6394 0.1589 0.0435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27221 8549SOL HW127219 4.153 6.443 0.032 0.5769 0.1132 0.2500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27222 8549SOL HW227220 3.994 6.409 0.046 0.4894 0.8551 1.1157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27223 8550SOL OW27221 5.239 6.131 0.960 0.0443 -0.6824 -0.7889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27224 8550SOL HW127222 5.233 6.059 1.029 2.9115 -0.8264 -0.5472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27225 8550SOL HW227223 5.280 6.212 1.001 -2.3834 0.8727 -1.2692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27226 8551SOL OW27224 4.292 6.635 1.681 0.0347 0.4890 0.7603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27227 8551SOL HW127225 4.289 6.584 1.595 0.9922 1.6765 -0.0323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27228 8551SOL HW227226 4.213 6.612 1.737 -0.7235 -0.1739 -0.5292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27229 8552SOL OW27227 3.935 5.662 1.419 0.7028 -0.6028 -0.6011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27230 8552SOL HW127228 3.887 5.611 1.490 -0.4248 1.5175 0.2719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27231 8552SOL HW227229 4.021 5.616 1.397 1.3887 -1.0684 2.5567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27232 8553SOL OW27230 5.462 6.936 7.180 0.7109 0.1558 -0.3248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27233 8553SOL HW127231 5.505 6.988 7.107 -0.0936 0.4999 -0.5604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27234 8553SOL HW227232 5.366 6.961 7.187 0.1080 -1.8198 -0.9353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27235 8554SOL OW27233 4.965 5.792 0.289 -0.4230 0.3153 0.4424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27236 8554SOL HW127234 4.963 5.694 0.304 -1.2732 0.3571 0.6551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27237 8554SOL HW227235 5.060 5.824 0.286 -0.1137 -0.0167 3.5847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27238 8555SOL OW27236 3.935 6.195 0.432 0.1440 -0.2332 0.9439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27239 8555SOL HW127237 3.915 6.211 0.336 -0.6488 -1.0967 0.9522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27240 8555SOL HW227238 3.855 6.154 0.477 0.4211 0.3503 2.0228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27241 8556SOL OW27239 5.132 5.713 1.622 -0.0011 -0.6132 0.6461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27242 8556SOL HW127240 5.087 5.744 1.705 -1.8422 -1.7353 0.1215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27243 8556SOL HW227241 5.079 5.639 1.580 -0.5989 1.5886 -2.9051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27244 8557SOL OW27242 4.223 5.364 0.217 -0.0499 0.2464 0.2314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27245 8557SOL HW127243 4.213 5.397 0.311 -0.3306 -0.1298 0.3335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27246 8557SOL HW227244 4.256 5.270 0.218 -0.2771 0.1643 -0.0411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27247 8558SOL OW27245 4.466 5.733 1.655 -0.3543 -0.0240 0.5270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27248 8558SOL HW127246 4.546 5.676 1.674 -0.5216 -0.5209 -0.2050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27249 8558SOL HW227247 4.397 5.717 1.725 0.2447 0.5297 1.2559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27250 8559SOL OW27248 4.301 6.968 1.021 -0.0740 -0.4051 0.1915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27251 8559SOL HW127249 4.327 6.898 0.955 -0.7152 -0.5962 0.1293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27252 8559SOL HW227250 4.326 6.938 1.114 -1.9859 -1.5735 0.3772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27253 8560SOL OW27251 4.911 6.153 1.301 0.0066 0.0483 0.1008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27254 8560SOL HW127252 4.964 6.161 1.385 -0.1040 -0.1452 0.1894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27255 8560SOL HW227253 4.918 6.238 1.249 -0.1793 0.2845 0.4549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27256 8561SOL OW27254 4.367 6.818 0.808 -0.2080 -0.1629 -0.3539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27257 8561SOL HW127255 4.462 6.794 0.790 0.0964 0.0402 0.8569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27258 8561SOL HW227256 4.322 6.844 0.723 0.5140 -1.2959 -1.0997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27259 8562SOL OW27257 4.529 6.148 0.680 -0.3884 0.1435 -0.2892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27260 8562SOL HW127258 4.457 6.134 0.612 -0.5851 0.9684 -0.2583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27261 8562SOL HW227259 4.615 6.168 0.633 -0.9969 2.9932 -0.3097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27262 8563SOL OW27260 4.162 5.642 0.420 0.0225 -0.0544 -0.2609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27263 8563SOL HW127261 4.095 5.667 0.490 -0.7764 -1.1633 -0.6072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27264 8563SOL HW227262 4.202 5.726 0.381 -1.0747 0.6320 0.0339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27265 8564SOL OW27263 4.972 6.911 0.053 -0.1833 0.6230 -0.0847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27266 8564SOL HW127264 4.988 6.815 0.077 0.8454 0.9316 0.5303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27267 8564SOL HW227265 4.874 6.929 0.049 -0.4088 -0.6652 -1.0771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27268 8565SOL OW27266 3.838 5.385 0.218 0.2157 -0.1241 -0.1283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27269 8565SOL HW127267 3.910 5.450 0.193 -0.6922 0.6263 -0.8524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27270 8565SOL HW227268 3.866 5.293 0.192 0.8941 0.1670 -0.4532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27271 8566SOL OW27269 4.573 5.698 0.419 -0.6146 -0.2428 -0.4367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27272 8566SOL HW127270 4.557 5.695 0.320 -0.3173 -1.4423 -0.4661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27273 8566SOL HW227271 4.641 5.769 0.439 -0.3086 -0.3194 -1.1575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27274 8567SOL OW27272 4.513 6.126 1.381 -0.2431 -0.4897 -0.2777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27275 8567SOL HW127273 4.440 6.068 1.418 -1.1380 0.1210 -1.0265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27276 8567SOL HW227274 4.585 6.069 1.342 -2.3273 -1.2108 -3.3933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27277 8568SOL OW27275 4.710 0.065 0.547 -0.0761 0.4874 -0.3016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27278 8568SOL HW127276 4.628 0.089 0.600 -1.1211 -0.3172 -1.4876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27279 8568SOL HW227277 4.769 0.146 0.539 -1.3821 1.4622 -0.5142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27280 8569SOL OW27278 4.052 6.697 0.451 0.0855 -0.0380 0.1747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27281 8569SOL HW127279 4.000 6.623 0.494 -1.8628 0.2875 -1.4735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27282 8569SOL HW227280 4.016 6.714 0.359 1.9759 1.4572 -0.3517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27283 8570SOL OW27281 4.634 6.015 7.141 -0.0220 -0.1299 0.1684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27284 8570SOL HW127282 4.710 6.020 7.076 -0.7222 -1.2540 -0.7836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27285 8570SOL HW227283 4.665 5.976 7.227 0.6956 0.4035 0.1599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27286 8571SOL OW27284 3.702 6.053 1.270 -1.0217 0.5415 0.8379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27287 8571SOL HW127285 3.801 6.047 1.282 -0.5129 -1.4840 -2.8096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27288 8571SOL HW227286 3.672 6.148 1.284 2.1448 2.1143 -1.6347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27289 8572SOL OW27287 4.301 5.804 1.129 0.0522 -0.6360 -0.1239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27290 8572SOL HW127288 4.318 5.843 1.219 0.4290 2.0163 -1.2750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27291 8572SOL HW227289 4.228 5.735 1.136 1.0939 -1.5970 2.3950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27292 8573SOL OW27290 4.323 6.033 0.496 0.2406 -0.1937 0.4163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27293 8573SOL HW127291 4.273 6.115 0.467 -0.3527 -0.0802 1.7152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27294 8573SOL HW227292 4.319 5.965 0.422 -2.2093 -0.3420 0.6081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27295 8574SOL OW27293 4.876 5.480 0.635 0.3153 0.1192 0.3176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27296 8574SOL HW127294 4.788 5.517 0.665 -0.7622 -2.5008 0.6635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27297 8574SOL HW227295 4.928 5.449 0.715 0.3090 -0.9014 -0.0651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27298 8575SOL OW27296 4.993 6.840 0.726 -0.0797 0.2226 -0.0644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27299 8575SOL HW127297 4.910 6.895 0.718 0.2539 0.8271 0.4790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27300 8575SOL HW227298 5.011 6.794 0.639 1.3023 3.4722 -1.6931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27301 8576SOL OW27299 5.049 5.998 1.120 -0.1068 0.0962 0.4756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27302 8576SOL HW127300 5.005 6.040 1.041 -0.1693 2.4730 1.7032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27303 8576SOL HW227301 5.012 6.037 1.204 1.1207 -1.1811 1.6718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27304 8577SOL OW27302 5.650 6.365 0.276 -0.5008 -0.5911 -0.4617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27305 8577SOL HW127303 5.709 6.284 0.274 1.5533 0.8329 -1.5164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27306 8577SOL HW227304 5.559 6.340 0.243 0.3552 -2.2717 -1.7659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27307 8578SOL OW27305 4.040 6.971 0.115 -0.8892 0.2485 -0.0577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27308 8578SOL HW127306 4.001 6.892 0.163 0.8507 -1.1937 -0.8936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27309 8578SOL HW227307 4.049 6.949 0.018 2.3188 0.2811 0.1254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27310 8579SOL OW27308 5.195 6.963 0.469 0.0755 -0.2770 -0.3217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27311 8579SOL HW127309 5.207 7.006 0.559 0.8241 -0.3409 -0.3786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27312 8579SOL HW227310 5.106 6.987 0.431 -0.1695 -0.1000 0.3587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27313 8580SOL OW27311 5.011 6.320 0.099 -0.2397 -0.2051 -0.6517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27314 8580SOL HW127312 4.942 6.251 0.080 -0.5122 0.0820 -0.7110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27315 8580SOL HW227313 5.064 6.293 0.179 0.4791 -1.0897 -1.4064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27316 8581SOL OW27314 4.015 5.569 0.140 0.4336 0.1589 -0.4986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27317 8581SOL HW127315 4.098 5.518 0.163 0.7356 0.7415 -0.2678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27318 8581SOL HW227316 4.015 5.591 0.042 1.0956 1.0961 -0.3004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27319 8582SOL OW27317 5.335 6.751 1.456 -0.3903 0.1504 0.3559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27320 8582SOL HW127318 5.302 6.788 1.543 -0.8295 -0.0722 0.2863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27321 8582SOL HW227319 5.435 6.759 1.453 -0.5406 2.5559 -0.2196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27322 8583SOL OW27320 4.657 6.748 1.148 0.3801 0.1182 -0.0799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27323 8583SOL HW127321 4.601 6.819 1.190 -0.9046 -0.4873 -0.7212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27324 8583SOL HW227322 4.643 6.661 1.196 0.7328 -0.0570 -0.2854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27325 8584SOL OW27323 5.359 7.134 1.575 -0.7283 -0.7895 -0.5450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27326 8584SOL HW127324 5.315 7.176 1.496 1.1520 1.5297 -0.4652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27327 8584SOL HW227325 5.438 7.080 1.545 -2.1700 -3.1113 -0.4858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27328 8585SOL OW27326 4.718 6.950 0.979 -0.2939 0.0239 0.3277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27329 8585SOL HW127327 4.700 6.863 1.025 1.4886 -0.4937 0.1250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27330 8585SOL HW227328 4.701 6.940 0.881 0.4125 -0.2466 0.2338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27331 8586SOL OW27329 5.091 6.729 0.941 0.5941 -0.4027 0.1174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27332 8586SOL HW127330 5.031 6.752 1.018 0.3501 0.7091 -0.3827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27333 8586SOL HW227331 5.056 6.772 0.858 2.6393 1.1501 -0.0148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27334 8587SOL OW27332 4.574 5.580 1.327 -0.4236 0.0943 0.0477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27335 8587SOL HW127333 4.607 5.566 1.233 -1.8419 0.3448 -0.5093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27336 8587SOL HW227334 4.637 5.640 1.376 -0.3466 1.0223 -1.1515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27337 8588SOL OW27335 4.511 6.795 1.653 0.0007 0.3324 -0.4177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27338 8588SOL HW127336 4.429 6.744 1.680 0.2279 0.6240 0.8650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27339 8588SOL HW227337 4.582 6.730 1.624 -0.3281 0.0224 -0.5423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27340 8589SOL OW27338 4.429 6.456 0.338 -0.4601 0.5549 -0.3039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27341 8589SOL HW127339 4.374 6.509 0.403 0.2091 0.4931 0.3153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27342 8589SOL HW227340 4.524 6.455 0.368 -0.3063 -0.2257 -0.8099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27343 8590SOL OW27341 4.013 6.307 1.300 -0.0414 0.8753 0.2023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27344 8590SOL HW127342 4.110 6.309 1.327 1.4159 -0.9571 -3.9377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27345 8590SOL HW227343 3.979 6.213 1.307 -1.5776 1.4882 1.5164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27346 8591SOL OW27344 4.705 5.987 1.255 -0.5612 0.1459 -0.0246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27347 8591SOL HW127345 4.789 6.042 1.259 -1.2078 1.1075 0.8510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27348 8591SOL HW227346 4.685 5.965 1.159 1.8556 -2.0177 -0.1438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27349 8592SOL OW27347 3.821 7.255 0.982 -0.4802 -0.6829 0.2118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27350 8592SOL HW127348 3.753 7.211 1.042 -0.0161 -1.8793 -0.1160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27351 8592SOL HW227349 3.878 7.185 0.939 2.1089 0.3440 1.7618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27352 8593SOL OW27350 3.914 6.757 0.204 0.2121 -0.0663 -0.4317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27353 8593SOL HW127351 3.821 6.791 0.194 -0.8320 -2.7912 -0.5932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27354 8593SOL HW227352 3.956 6.745 0.114 0.4563 0.4164 -0.3873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27355 8594SOL OW27353 4.054 5.971 0.532 -0.2388 -0.1474 0.3004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27356 8594SOL HW127354 4.008 6.044 0.482 -0.4422 0.3348 1.1584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27357 8594SOL HW227355 4.153 5.987 0.531 0.0391 -1.6052 -2.2059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27358 8595SOL OW27356 4.791 6.924 0.389 -0.6112 -0.0302 0.2988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27359 8595SOL HW127357 4.871 6.974 0.356 -1.3163 0.7261 -0.3163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27360 8595SOL HW227358 4.734 6.985 0.444 -2.3571 0.4318 -1.8501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27361 8596SOL OW27359 4.947 6.783 1.158 -0.2341 -0.3715 -0.4053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27362 8596SOL HW127360 4.973 6.859 1.218 -1.5229 -0.6768 0.5996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27363 8596SOL HW227361 4.847 6.779 1.151 -0.1407 -1.0216 -1.7250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27364 8597SOL OW27362 5.314 6.337 0.472 0.5952 -0.4317 0.2783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27365 8597SOL HW127363 5.280 6.345 0.566 -1.4103 -0.1801 -0.4201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27366 8597SOL HW227364 5.343 6.427 0.440 1.7297 -0.5978 0.7817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27367 8598SOL OW27365 4.072 6.984 1.262 -0.5819 0.0635 0.1589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27368 8598SOL HW127366 4.045 6.947 1.173 -2.9012 2.0130 -0.0854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27369 8598SOL HW227367 4.134 7.061 1.248 -0.9868 0.4021 0.1962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27370 8599SOL OW27368 4.155 6.282 1.651 -0.6870 -0.6855 -0.2534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27371 8599SOL HW127369 4.192 6.294 1.559 1.0814 -1.5621 0.2918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27372 8599SOL HW227370 4.215 6.222 1.703 -2.8256 -2.0175 0.7975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27373 8600SOL OW27371 5.224 6.396 1.560 -0.0706 0.5329 -0.1433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27374 8600SOL HW127372 5.131 6.414 1.590 0.1171 -0.1031 0.8473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27375 8600SOL HW227373 5.240 6.442 1.472 -1.3988 0.3982 -0.4734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27376 8601SOL OW27374 4.707 5.607 1.750 0.5782 0.2708 0.0539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27377 8601SOL HW127375 4.772 5.682 1.748 0.9953 -0.0743 0.5105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27378 8601SOL HW227376 4.755 5.520 1.743 0.1585 0.0167 0.2601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27379 8602SOL OW27377 4.232 5.577 1.773 0.1739 -0.2010 0.0997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27380 8602SOL HW127378 4.182 5.498 1.736 -0.2725 -0.3319 0.9396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27381 8602SOL HW227379 4.179 5.660 1.756 -0.2359 -0.3098 0.7678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27382 8603SOL OW27380 3.999 6.390 1.033 -0.4712 -0.2040 0.3715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27383 8603SOL HW127381 4.033 6.483 1.018 -0.8967 -0.3295 -1.6828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27384 8603SOL HW227382 4.002 6.369 1.131 1.0501 1.4096 0.7371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27385 8604SOL OW27383 4.988 6.313 0.786 -0.0601 0.2444 0.2521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27386 8604SOL HW127384 4.957 6.230 0.831 1.2579 -0.3312 0.1367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27387 8604SOL HW227385 5.042 6.368 0.849 0.2218 0.3418 -0.0674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27388 8605SOL OW27386 4.729 5.918 0.110 0.2854 -0.2372 0.0002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27389 8605SOL HW127387 4.788 5.838 0.110 -1.0074 -1.2444 -1.1965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27390 8605SOL HW227388 4.734 5.964 0.199 0.1729 -2.3162 1.1352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27391 8606SOL OW27389 3.887 5.789 1.182 -0.1845 -0.2811 -0.0742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27392 8606SOL HW127390 3.845 5.774 1.272 -0.7215 1.5735 0.0212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27393 8606SOL HW227391 3.978 5.747 1.180 -0.2402 -0.5140 1.2621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27394 8607SOL OW27392 3.716 6.909 1.329 -0.1445 0.0608 -0.1586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27395 8607SOL HW127393 3.775 6.959 1.392 -1.5183 2.1598 -0.4711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27396 8607SOL HW227394 3.625 6.898 1.368 -0.3513 -0.6890 -0.8145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27397 8608SOL OW27395 4.072 6.130 0.950 -0.0924 -0.3047 0.2002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27398 8608SOL HW127396 3.991 6.108 0.896 -0.3350 1.4757 -0.1965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27399 8608SOL HW227397 4.059 6.216 0.999 2.1229 0.9189 -1.1633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27400 8609SOL OW27398 5.420 6.496 1.714 0.3618 -0.8948 0.4394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27401 8609SOL HW127399 5.361 6.454 1.645 -0.2251 -1.0178 1.0092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27402 8609SOL HW227400 5.421 6.440 1.797 -0.5107 0.2260 1.2499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27403 8610SOL OW27401 3.646 5.485 0.609 -0.4585 -0.1803 0.2625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27404 8610SOL HW127402 3.574 5.495 0.678 0.7199 -0.6481 1.6074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27405 8610SOL HW227403 3.704 5.407 0.632 -0.1765 -0.5202 -1.4269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27406 8611SOL OW27404 5.191 6.177 0.273 -0.7016 0.5603 -0.2957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27407 8611SOL HW127405 5.193 6.083 0.307 1.6998 0.3868 -0.7533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27408 8611SOL HW227406 5.234 6.238 0.340 -2.8718 1.5322 0.3332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27409 8612SOL OW27407 4.520 6.324 0.887 -0.5906 0.0065 0.4070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27410 8612SOL HW127408 4.491 6.297 0.978 -0.6245 -1.0487 0.0906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27411 8612SOL HW227409 4.543 6.243 0.833 -0.6152 0.6103 -0.5381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27412 8613SOL OW27410 4.718 0.016 1.722 -0.8703 -0.0113 -0.1181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27413 8613SOL HW127411 4.771 0.006 1.806 1.5326 -0.8820 -1.6602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27414 8613SOL HW227412 4.676 -0.072 1.699 -2.2555 0.4446 0.5734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27415 8614SOL OW27413 5.612 7.080 1.458 0.5989 0.0443 -0.7641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27416 8614SOL HW127414 5.651 7.092 1.367 -0.4390 1.3382 -1.0793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27417 8614SOL HW227415 5.656 7.003 1.504 1.0714 -0.6940 -2.3889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27418 8615SOL OW27416 4.097 6.488 1.846 -0.3616 -0.2522 -0.4721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27419 8615SOL HW127417 4.100 6.459 1.941 1.1051 1.4312 0.0371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27420 8615SOL HW227418 4.110 6.408 1.787 -1.4690 -1.3387 0.6901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27421 8616SOL OW27419 5.172 6.051 7.256 -0.6218 -0.4473 0.6479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27422 8616SOL HW127420 5.174 5.955 7.283 1.2871 -0.5543 0.2704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27423 8616SOL HW227421 5.158 6.108 7.337 -0.6400 -0.9840 1.0217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27424 8617SOL OW27422 5.190 6.472 7.238 -0.3842 0.8222 -0.3623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27425 8617SOL HW127423 5.124 6.429 7.299 -0.7075 0.5457 -0.9009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27426 8617SOL HW227424 5.182 6.432 7.147 -2.1809 3.4069 -1.4834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27427 8618SOL OW27425 4.692 6.919 0.714 -0.6434 -0.1538 0.2907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27428 8618SOL HW127426 4.704 6.825 0.682 -0.7364 -0.0503 -0.0618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27429 8618SOL HW227427 4.630 6.967 0.652 1.0830 0.7608 -0.7980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27430 8619SOL OW27428 3.787 6.269 0.877 0.0582 0.0773 -0.0219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27431 8619SOL HW127429 3.864 6.321 0.913 -0.1062 1.1402 -1.1467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27432 8619SOL HW227430 3.820 6.186 0.831 0.4048 -0.2256 0.7527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27433 8620SOL OW27431 3.877 6.061 0.771 0.4756 0.0881 -0.1400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27434 8620SOL HW127432 3.825 5.986 0.813 -0.6919 0.9039 -0.1045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27435 8620SOL HW227433 3.951 6.022 0.716 -0.0086 -1.0871 0.0023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27436 8621SOL OW27434 4.809 5.860 1.677 -0.5954 -0.8966 0.4185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27437 8621SOL HW127435 4.723 5.900 1.709 -0.3853 0.8992 -1.0904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27438 8621SOL HW227436 4.886 5.915 1.712 -0.1336 -1.5801 0.4906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27439 8622SOL OW27437 4.752 5.776 1.435 0.0569 0.0015 0.6743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27440 8622SOL HW127438 4.763 5.820 1.524 0.8583 0.6675 0.2671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27441 8622SOL HW227439 4.751 5.846 1.363 0.7783 -0.5973 0.0578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27442 8623SOL OW27440 3.424 6.825 0.123 0.1979 -0.2329 0.1905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27443 8623SOL HW127441 3.340 6.880 0.124 1.0882 1.2427 -0.9207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27444 8623SOL HW227442 3.405 6.735 0.161 -1.9626 -0.0491 -0.2814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27445 8624SOL OW27443 3.981 7.064 0.879 0.1509 0.3154 0.0104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27446 8624SOL HW127444 4.074 7.046 0.912 0.5415 -0.8548 -1.6307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27447 8624SOL HW227445 3.979 7.057 0.779 -1.8198 -0.1929 0.0543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27448 8625SOL OW27446 4.445 6.248 1.129 0.1299 0.0153 -0.2105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27449 8625SOL HW127447 4.501 6.210 1.203 3.4602 -0.0392 -2.5422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27450 8625SOL HW227448 4.391 6.174 1.087 -0.4895 -0.2638 1.0136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27451 8626SOL OW27449 3.585 6.092 0.933 0.3468 0.2162 0.4599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27452 8626SOL HW127450 3.621 6.185 0.929 1.8060 -0.2452 1.9847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27453 8626SOL HW227451 3.660 6.027 0.949 -0.6615 -1.2237 -0.3412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27454 8627SOL OW27452 3.909 6.142 1.629 0.2699 0.9973 0.1409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27455 8627SOL HW127453 3.992 6.197 1.623 0.6137 0.3972 -0.6849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27456 8627SOL HW227454 3.851 6.177 1.703 1.8366 0.6394 1.5896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27457 8628SOL OW27455 4.917 6.385 1.599 -0.1846 -0.0109 0.0343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27458 8628SOL HW127456 4.866 6.423 1.521 1.7681 0.4567 -1.0673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27459 8628SOL HW227457 4.953 6.295 1.575 2.2794 1.0345 -0.4996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27460 8629SOL OW27458 4.332 5.838 0.321 -0.2849 0.3230 -0.1985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27461 8629SOL HW127459 4.393 5.769 0.283 -1.3459 0.3425 -2.0347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27462 8629SOL HW227460 4.326 5.916 0.259 0.7885 2.0753 1.7713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27463 8630SOL OW27461 5.396 6.349 1.056 -0.6883 -0.1151 0.6933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27464 8630SOL HW127462 5.433 6.441 1.045 -1.4583 0.0303 -1.1114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27465 8630SOL HW227463 5.470 6.285 1.072 0.4987 0.1366 -2.9570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27466 8631SOL OW27464 3.858 7.244 1.779 -0.6571 0.1482 0.6335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27467 8631SOL HW127465 3.817 7.289 1.700 -0.2667 -0.1412 0.2668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27468 8631SOL HW227466 3.813 7.156 1.795 -1.4991 0.6996 1.4210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27469 8632SOL OW27467 4.361 6.035 0.974 0.0261 -0.0070 -0.6241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27470 8632SOL HW127468 4.335 5.950 1.019 2.0260 0.1407 0.9193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27471 8632SOL HW227469 4.279 6.077 0.935 -1.6997 -0.6598 1.9929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27472 8633SOL OW27470 4.022 5.643 7.125 -0.2372 -0.2153 -0.1244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27473 8633SOL HW127471 4.101 5.700 7.150 0.0268 -0.3299 -0.6759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27474 8633SOL HW227472 3.950 5.702 7.087 -0.1969 -0.1757 -0.1398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27475 8634SOL OW27473 3.721 6.553 1.589 0.2107 0.2136 0.4529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27476 8634SOL HW127474 3.794 6.590 1.647 1.5092 -1.4184 -0.0530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27477 8634SOL HW227475 3.749 6.556 1.493 -1.3012 1.5021 -0.0001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27478 8635SOL OW27476 4.716 6.478 0.994 -0.0337 0.2220 -0.3346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27479 8635SOL HW127477 4.647 6.426 0.944 0.5458 1.0296 -2.0557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27480 8635SOL HW227478 4.680 6.569 1.017 0.0638 0.2286 -0.2034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27481 8636SOL OW27479 4.729 6.311 0.137 -0.0480 0.6042 0.2052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27482 8636SOL HW127480 4.745 6.409 0.149 0.8919 0.3601 1.0571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27483 8636SOL HW227481 4.684 6.274 0.218 0.2432 0.2053 0.1914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27484 8637SOL OW27482 5.597 7.197 0.935 -0.3505 0.0200 -0.7358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27485 8637SOL HW127483 5.663 7.226 0.866 0.3537 0.5929 0.1509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27486 8637SOL HW227484 5.555 7.111 0.907 2.0852 -1.3195 -0.5002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27487 8638SOL OW27485 4.975 7.221 1.161 0.3762 -0.2231 -0.1100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27488 8638SOL HW127486 4.972 7.237 1.260 2.8636 -0.7650 0.1162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27489 8638SOL HW227487 5.057 7.263 1.123 0.3919 -1.5693 -1.6392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27490 8639SOL OW27488 3.773 6.680 1.153 0.5168 0.2343 -0.2560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27491 8639SOL HW127489 3.729 6.745 1.215 -0.8894 1.7867 -2.7234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27492 8639SOL HW227490 3.708 6.650 1.083 0.8489 -4.5520 1.1003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27493 8640SOL OW27491 4.592 5.508 7.170 -0.0711 0.1416 0.3818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27494 8640SOL HW127492 4.614 5.468 7.081 -0.5288 0.3597 0.1669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27495 8640SOL HW227493 4.667 5.490 7.234 0.5384 0.4999 -0.2097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27496 8641SOL OW27494 5.231 5.917 0.322 0.3305 0.1440 -0.4613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27497 8641SOL HW127495 5.289 5.917 0.240 2.4709 1.6444 0.9334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27498 8641SOL HW227496 5.251 5.836 0.377 -1.1101 -0.8659 -1.3503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27499 8642SOL OW27497 5.005 7.046 0.280 0.1555 0.0164 0.3589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27500 8642SOL HW127498 5.031 7.024 0.186 0.4150 -2.5163 0.9614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27501 8642SOL HW227499 5.035 7.139 0.302 0.1411 0.6432 -2.0014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27502 8643SOL OW27500 3.511 7.171 1.797 0.8296 -0.1449 0.1951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27503 8643SOL HW127501 3.601 7.133 1.818 1.4403 0.7590 -0.6983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27504 8643SOL HW227502 3.470 7.207 1.881 1.3882 -0.3983 0.5796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27505 8644SOL OW27503 5.249 6.357 0.718 0.4530 -0.0424 -0.7309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27506 8644SOL HW127504 5.171 6.313 0.762 1.5753 0.1389 1.6350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27507 8644SOL HW227505 5.267 6.445 0.763 0.7677 0.9235 -2.6362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27508 8645SOL OW27506 4.434 6.878 1.267 0.3883 0.0862 -0.1847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27509 8645SOL HW127507 4.460 6.946 1.335 1.4311 -0.0941 -0.3980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27510 8645SOL HW227508 4.359 6.822 1.303 -0.6678 1.4879 -0.1014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27511 8646SOL OW27509 4.292 7.005 0.041 0.1301 -0.0436 -0.3429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27512 8646SOL HW127510 4.287 7.066 -0.038 -0.9960 1.5786 0.9229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27513 8646SOL HW227511 4.216 7.024 0.102 0.0128 -2.4336 0.3465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27514 8647SOL OW27512 5.278 5.628 0.865 -0.1252 1.1107 0.6215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27515 8647SOL HW127513 5.364 5.594 0.825 -0.2118 1.4323 0.1488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27516 8647SOL HW227514 5.217 5.658 0.791 -0.4348 1.3771 0.9836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27517 8648SOL OW27515 3.999 5.742 0.613 -0.5815 0.1565 -0.1051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27518 8648SOL HW127516 3.901 5.725 0.606 -0.4362 -0.3028 -1.2532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27519 8648SOL HW227517 4.020 5.835 0.583 -0.7444 0.5183 0.8773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27520 8649SOL OW27518 4.725 7.167 7.209 -0.5833 -0.1911 -0.1912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27521 8649SOL HW127519 4.701 7.088 7.264 -2.6112 0.0586 -0.6357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27522 8649SOL HW227520 4.762 7.137 7.121 -1.2129 -0.6647 -0.2991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27523 8650SOL OW27521 4.491 6.497 1.235 -0.1196 0.4283 -0.0782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27524 8650SOL HW127522 4.472 6.418 1.176 -0.2044 1.1176 -0.9839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27525 8650SOL HW227523 4.406 6.546 1.253 0.2745 1.7129 -1.5440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27526 8651SOL OW27524 4.683 6.535 0.422 -0.4568 -0.2079 0.0043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27527 8651SOL HW127525 4.727 6.583 0.346 0.3496 -0.9960 -0.0431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27528 8651SOL HW227526 4.752 6.487 0.476 -0.8160 1.5764 2.1655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27529 8652SOL OW27527 4.134 6.778 1.412 0.1697 -0.5362 -0.2421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27530 8652SOL HW127528 4.102 6.844 1.344 0.5928 -0.9730 -0.8876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27531 8652SOL HW227529 4.114 6.811 1.504 -0.5413 0.0022 -0.5836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27532 8653SOL OW27530 5.325 6.967 1.118 0.1777 -0.4295 0.0376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27533 8653SOL HW127531 5.398 6.925 1.173 -0.3963 0.3389 1.4525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27534 8653SOL HW227532 5.239 6.965 1.170 -0.5847 -0.3992 -1.1848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27535 8654SOL OW27533 4.527 6.662 0.623 0.2551 0.1498 -0.3251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27536 8654SOL HW127534 4.440 6.614 0.624 0.5417 -0.3600 0.6717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27537 8654SOL HW227535 4.600 6.600 0.595 0.4198 0.3668 -0.3857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27538 8655SOL OW27536 4.650 5.730 0.876 0.1755 0.1839 -0.3363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27539 8655SOL HW127537 4.571 5.712 0.816 -0.2084 0.4164 0.0935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27540 8655SOL HW227538 4.638 5.680 0.961 -0.1823 1.2977 0.2815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27541 8656SOL OW27539 4.258 7.169 0.490 0.5647 -0.1535 0.3392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27542 8656SOL HW127540 4.318 7.117 0.431 0.0807 -0.2563 -0.0736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27543 8656SOL HW227541 4.218 7.245 0.438 -0.6586 -0.8424 0.2181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27544 8657SOL OW27542 5.382 5.863 1.276 -0.0209 -0.3965 -0.0122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27545 8657SOL HW127543 5.453 5.930 1.300 -1.4052 0.8432 0.7659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27546 8657SOL HW227544 5.398 5.829 1.183 2.1029 -0.8548 0.4599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27547 8658SOL OW27545 3.659 6.875 0.278 -0.3504 -0.0768 -0.4468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27548 8658SOL HW127546 3.569 6.861 0.239 0.7700 -0.8714 -2.9256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27549 8658SOL HW227547 3.683 6.972 0.271 -1.6279 0.4834 1.8415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27550 8659SOL OW27548 3.891 6.658 1.783 -0.0699 -0.1386 0.1093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27551 8659SOL HW127549 3.858 6.681 1.875 2.6831 1.2958 0.8335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27552 8659SOL HW227550 3.958 6.584 1.789 0.0347 -0.1312 -0.7906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27553 8660SOL OW27551 4.372 5.722 1.406 0.4809 0.1742 -0.8301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27554 8660SOL HW127552 4.439 5.668 1.356 -0.4615 -2.5564 0.6215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27555 8660SOL HW227553 4.411 5.752 1.493 -0.9925 -4.6164 1.7977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27556 8661SOL OW27554 3.672 5.714 7.180 -0.0368 -0.2574 -0.1101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27557 8661SOL HW127555 3.656 5.757 7.091 -1.7059 -0.9218 -0.1694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27558 8661SOL HW227556 3.706 5.783 7.245 -1.3585 0.8611 -0.5564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27559 8662SOL OW27557 4.903 6.385 1.163 0.0776 0.3414 -0.3196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27560 8662SOL HW127558 4.825 6.424 1.114 1.6811 3.2051 -0.8334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27561 8662SOL HW227559 4.982 6.380 1.102 1.1089 0.3901 0.9560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27562 8663SOL OW27560 3.657 5.456 7.258 0.0255 0.1176 0.1203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27563 8663SOL HW127561 3.660 5.553 7.233 -2.0240 0.3674 0.7095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27564 8663SOL HW227562 3.711 5.442 7.342 1.3284 0.4967 -0.6285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27565 8664SOL OW27563 4.714 6.946 0.123 0.1437 0.7112 0.3161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27566 8664SOL HW127564 4.650 6.875 0.093 0.8972 0.0509 0.2395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27567 8664SOL HW227565 4.730 6.937 0.221 -0.1455 1.0986 0.4018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27568 8665SOL OW27566 4.259 6.290 1.386 -0.0128 -0.1624 -0.7646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27569 8665SOL HW127567 4.329 6.351 1.350 0.3791 0.4637 0.9287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27570 8665SOL HW227568 4.297 6.198 1.395 0.6396 0.1676 0.1230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27571 8666SOL OW27569 5.207 0.007 0.974 0.5128 0.1710 0.5481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27572 8666SOL HW127570 5.189 0.068 0.897 1.3855 -0.8155 -0.4968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27573 8666SOL HW227571 5.161 -0.081 0.958 1.7013 -0.4646 0.5215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27574 8667SOL OW27572 4.337 6.129 1.807 0.0020 -0.3313 0.1831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27575 8667SOL HW127573 4.408 6.197 1.785 0.2932 -0.7372 -0.1633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27576 8667SOL HW227574 4.331 6.118 1.906 0.9349 -0.8135 0.1982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27577 8668SOL OW27575 4.846 6.584 1.384 -0.4724 -0.4253 -0.3016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27578 8668SOL HW127576 4.880 6.677 1.392 0.2879 -0.8078 1.5442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27579 8668SOL HW227577 4.877 6.543 1.298 -0.7727 0.9744 -1.1026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27580 8669SOL OW27578 5.132 6.423 0.989 -0.0532 -0.4360 0.6381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27581 8669SOL HW127579 5.225 6.389 0.999 0.2188 -0.1766 -0.7893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27582 8669SOL HW227580 5.130 6.522 1.001 -0.0965 -0.4073 0.4000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27583 8670SOL OW27581 4.749 5.920 0.390 -0.1578 0.3103 0.1337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27584 8670SOL HW127582 4.839 5.885 0.363 -1.3104 -2.8240 -0.0771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27585 8670SOL HW227583 4.760 6.006 0.440 2.8084 0.7606 -1.0962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27586 8671SOL OW27584 4.221 6.263 0.365 0.6556 0.2484 -0.1920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27587 8671SOL HW127585 4.262 6.350 0.336 0.5305 0.4918 0.3551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27588 8671SOL HW227586 4.123 6.274 0.375 0.5277 -0.1759 -0.9000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27589 8672SOL OW27587 5.164 5.933 1.439 -0.6128 0.1238 0.0669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27590 8672SOL HW127588 5.235 5.902 1.375 -0.4389 -0.6916 0.6430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27591 8672SOL HW227589 5.144 5.860 1.505 -3.6266 -0.6091 -1.4589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27592 8673SOL OW27590 5.255 6.545 1.311 0.4930 0.1450 0.2408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27593 8673SOL HW127591 5.268 6.629 1.363 1.3465 0.6628 -0.7751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27594 8673SOL HW227592 5.178 6.556 1.248 1.0278 0.4145 -0.3720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27595 8674SOL OW27593 4.542 6.745 0.081 0.2366 0.4346 0.0890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27596 8674SOL HW127594 4.521 6.738 0.179 -1.7827 2.2264 -0.1299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27597 8674SOL HW227595 4.463 6.715 0.028 1.6702 -1.5085 -1.0925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27598 8675SOL OW27596 4.335 6.476 0.767 -0.7022 -0.1686 -0.5461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27599 8675SOL HW127597 4.408 6.418 0.804 0.9822 1.1128 -1.6974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27600 8675SOL HW227598 4.284 6.518 0.843 0.1166 -0.6523 0.2943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27601 8676SOL OW27599 4.770 6.588 0.159 -0.2906 0.7046 -0.8798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27602 8676SOL HW127600 4.715 6.634 0.090 -0.1326 1.8356 -0.2773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27603 8676SOL HW227601 4.867 6.599 0.137 -0.2456 0.8698 -0.6094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27604 8677SOL OW27602 5.280 7.102 0.701 0.2657 -0.1453 0.2136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27605 8677SOL HW127603 5.203 7.130 0.759 0.5944 2.2632 -0.4202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27606 8677SOL HW227604 5.354 7.067 0.758 0.3180 1.5071 1.2158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27607 8678SOL OW27605 4.009 6.877 1.669 -0.2492 -0.2061 0.1747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27608 8678SOL HW127606 4.076 6.900 1.740 -0.1994 -2.0261 0.7641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27609 8678SOL HW227607 3.948 6.805 1.702 -2.4636 1.2998 -0.3952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27610 8679SOL OW27608 3.672 7.037 0.562 0.3119 -0.2766 -0.2942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27611 8679SOL HW127609 3.648 7.110 0.627 -1.1930 -0.8531 -0.1698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27612 8679SOL HW227610 3.609 7.038 0.485 1.6754 -0.0330 -1.4617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27613 8680SOL OW27611 4.534 7.064 1.461 -0.6456 0.0082 -0.1646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27614 8680SOL HW127612 4.546 7.158 1.427 -0.5500 -0.1967 -0.7003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27615 8680SOL HW227613 4.579 7.056 1.550 2.4327 -0.4440 -1.6473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27616 8681SOL OW27614 5.391 5.835 1.001 0.0606 0.1696 0.4818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27617 8681SOL HW127615 5.483 5.801 1.018 -0.4039 -0.8177 1.0801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27618 8681SOL HW227616 5.339 5.766 0.949 -1.1548 -0.4490 2.4279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27619 8682SOL OW27617 3.844 5.777 0.299 -0.5479 -0.1418 -0.9204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27620 8682SOL HW127618 3.918 5.722 0.259 -0.7866 -0.8962 -0.3313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27621 8682SOL HW227619 3.833 5.753 0.395 0.7726 2.4223 -0.0189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27622 8683SOL OW27620 5.459 6.968 0.888 -0.3519 -0.2171 0.0769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27623 8683SOL HW127621 5.480 6.875 0.857 0.6929 0.1170 -0.2875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27624 8683SOL HW227622 5.410 6.964 0.975 -0.1384 -1.1114 0.1683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27625 8684SOL OW27623 3.971 6.048 1.249 -0.1658 -0.8133 -0.4799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27626 8684SOL HW127624 4.046 6.007 1.300 -2.5502 -2.6417 1.8605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27627 8684SOL HW227625 3.943 5.987 1.175 0.1380 -0.4956 -0.8620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27628 8685SOL OW27626 4.314 7.153 0.771 0.1244 0.2004 -0.1914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27629 8685SOL HW127627 4.317 7.057 0.799 0.3326 -0.5396 -2.5667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27630 8685SOL HW227628 4.291 7.159 0.674 -0.1986 2.5888 -0.0210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27631 8686SOL OW27629 4.904 5.792 0.815 -0.7213 0.2125 0.2055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27632 8686SOL HW127630 4.806 5.774 0.807 -0.7753 0.4649 0.2895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27633 8686SOL HW227631 4.938 5.758 0.903 -0.6708 -0.1457 0.0501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27634 8687SOL OW27632 4.673 5.546 1.077 -0.1945 0.0875 0.3902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27635 8687SOL HW127633 4.636 5.484 1.009 0.7391 0.0974 -0.1436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27636 8687SOL HW227634 4.771 5.557 1.062 0.0047 0.1901 1.6548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27637 8688SOL OW27635 4.454 6.772 0.340 -0.3102 -0.1903 0.4478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27638 8688SOL HW127636 4.500 6.724 0.415 -0.9291 -1.3373 0.1134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27639 8688SOL HW227637 4.367 6.807 0.372 -0.3688 -0.2828 0.3897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27640 8689SOL OW27638 4.260 7.175 1.238 0.0377 -0.2456 0.2299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27641 8689SOL HW127639 4.296 7.260 1.277 -0.7826 -0.4321 1.4534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27642 8689SOL HW227640 4.328 7.135 1.177 1.5297 -0.0894 1.7268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27643 8690SOL OW27641 4.903 5.598 7.207 0.2767 -0.3285 -0.1625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27644 8690SOL HW127642 4.848 5.636 7.133 1.0767 -1.9123 -1.6212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27645 8690SOL HW227643 4.842 5.555 7.275 -0.5675 2.3801 0.9559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27646 8691SOL OW27644 4.835 6.151 0.567 0.4731 0.2024 -0.2795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27647 8691SOL HW127645 4.845 6.247 0.542 1.9084 0.2517 0.3977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27648 8691SOL HW227646 4.902 6.127 0.638 0.6447 -1.4807 -0.9526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27649 8692SOL OW27647 5.141 5.790 0.663 0.4795 0.0520 -0.0026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27650 8692SOL HW127648 5.056 5.802 0.714 0.7683 -1.4185 0.9069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27651 8692SOL HW227649 5.188 5.877 0.655 -0.7440 0.7487 0.1377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27652 8693SOL OW27650 3.711 6.561 0.343 -0.6614 0.2106 -0.6952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27653 8693SOL HW127651 3.757 6.627 0.283 -0.4250 0.0158 -0.7293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27654 8693SOL HW227652 3.779 6.515 0.400 -0.7626 -0.4037 -1.0634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27655 8694SOL OW27653 3.851 5.891 1.976 -0.0580 0.5055 -0.3093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27656 8694SOL HW127654 3.762 5.866 2.012 -0.6144 2.2870 -0.3787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27657 8694SOL HW227655 3.844 5.909 1.878 0.5278 0.0753 -0.4418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27658 8695SOL OW27656 3.687 5.704 2.939 0.0465 0.4710 -0.3811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27659 8695SOL HW127657 3.746 5.653 3.001 -1.9725 -0.4122 0.8739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27660 8695SOL HW227658 3.673 5.651 2.855 2.8412 1.7029 -1.7659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27661 8696SOL OW27659 3.717 5.827 2.394 -0.4968 0.0475 -1.2812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27662 8696SOL HW127660 3.648 5.863 2.457 -1.6436 -0.7740 -2.0166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27663 8696SOL HW227661 3.677 5.752 2.341 0.1196 1.2534 -3.6059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27664 8697SOL OW27662 4.447 6.973 3.301 -0.2374 -0.0220 0.0146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27665 8697SOL HW127663 4.347 6.976 3.306 -0.2681 0.6058 -0.7062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27666 8697SOL HW227664 4.480 7.056 3.256 0.5555 -0.5861 -0.4746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27667 8698SOL OW27665 5.274 6.832 2.350 -0.3978 -0.4212 -0.4225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27668 8698SOL HW127666 5.176 6.849 2.333 0.0630 1.1773 -1.7217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27669 8698SOL HW227667 5.322 6.822 2.263 1.1094 2.2357 -0.0181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27670 8699SOL OW27668 4.773 6.234 2.420 0.1433 0.5717 0.4883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27671 8699SOL HW127669 4.834 6.311 2.436 -0.0845 0.5437 1.5653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27672 8699SOL HW227670 4.737 6.201 2.508 0.7087 -1.1371 0.1208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27673 8700SOL OW27671 5.426 6.294 1.896 0.0100 -0.3805 -0.2479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27674 8700SOL HW127672 5.459 6.210 1.853 -0.2664 -0.3033 -0.6188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27675 8700SOL HW227673 5.384 6.272 1.984 -0.2207 -0.6542 -0.4252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27676 8701SOL OW27674 4.413 6.725 3.180 -0.5183 -0.2970 0.0258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27677 8701SOL HW127675 4.414 6.811 3.230 -1.1190 0.2750 -0.9031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27678 8701SOL HW227676 4.409 6.744 3.081 -0.2932 -1.3841 -0.2034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27679 8702SOL OW27677 4.651 6.432 3.620 0.0757 0.5312 0.0338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27680 8702SOL HW127678 4.743 6.448 3.582 0.5845 -1.1604 0.4694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27681 8702SOL HW227679 4.583 6.469 3.557 1.0410 2.4559 0.0316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27682 8703SOL OW27680 4.374 6.527 2.444 -0.2881 0.4423 0.4058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27683 8703SOL HW127681 4.462 6.525 2.398 -0.3220 -3.2431 0.1954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27684 8703SOL HW227682 4.350 6.622 2.467 2.1572 1.8914 -2.3505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27685 8704SOL OW27683 4.406 6.965 3.715 0.3637 -0.2635 0.3482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27686 8704SOL HW127684 4.503 6.970 3.692 -0.1360 -1.0048 -2.3072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27687 8704SOL HW227685 4.370 6.875 3.689 -1.0278 -0.0115 1.2927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27688 8705SOL OW27686 4.063 7.011 2.841 0.0419 0.2120 -0.0152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27689 8705SOL HW127687 4.101 7.045 2.927 -0.4436 -0.9377 0.6678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27690 8705SOL HW227688 4.047 7.088 2.779 0.3303 1.0560 0.9341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27691 8706SOL OW27689 5.298 7.061 3.243 1.2028 -0.0883 -0.3346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27692 8706SOL HW127690 5.292 7.124 3.165 -0.8795 0.7661 0.4555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27693 8706SOL HW227691 5.302 7.114 3.328 5.1221 -0.9456 0.2045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27694 8707SOL OW27692 4.121 6.140 3.690 0.1189 0.7948 0.7364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27695 8707SOL HW127693 4.055 6.097 3.751 0.3497 0.2072 0.5801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27696 8707SOL HW227694 4.084 6.141 3.597 1.6010 -2.6269 -0.0681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27697 8708SOL OW27695 5.246 6.015 2.373 0.0257 -0.2017 0.4055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27698 8708SOL HW127696 5.151 6.041 2.391 -0.2713 -0.4765 -0.6806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27699 8708SOL HW227697 5.248 5.924 2.331 0.8098 -0.4017 0.8605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27700 8709SOL OW27698 4.787 6.792 3.392 -0.4167 -0.0818 -0.6719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27701 8709SOL HW127699 4.784 6.698 3.426 -1.5568 -0.0913 -0.7472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27702 8709SOL HW227700 4.758 6.854 3.464 2.0643 0.4285 -0.0287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27703 8710SOL OW27701 3.824 7.145 2.134 0.3647 0.2085 -0.4067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27704 8710SOL HW127702 3.903 7.183 2.085 0.6532 0.6223 0.3502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27705 8710SOL HW227703 3.833 7.166 2.232 -0.2832 -0.4449 -0.1996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27706 8711SOL OW27704 4.135 6.775 2.702 -0.5061 -0.6540 0.2849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27707 8711SOL HW127705 4.129 6.684 2.742 -0.8914 0.3012 2.5320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27708 8711SOL HW227706 4.068 6.835 2.745 1.8176 1.4872 1.1761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27709 8712SOL OW27707 4.105 6.448 2.124 0.0387 -0.0427 0.3395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27710 8712SOL HW127708 4.158 6.533 2.116 -0.4870 0.2598 0.0218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27711 8712SOL HW227709 4.151 6.387 2.188 1.4712 -0.3187 -0.8898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27712 8713SOL OW27710 5.390 5.541 3.272 -0.3234 -0.2128 0.5758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27713 8713SOL HW127711 5.480 5.527 3.231 -1.4431 0.5940 -2.4674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27714 8713SOL HW227712 5.399 5.591 3.358 2.1565 -1.4075 1.1016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27715 8714SOL OW27713 3.633 6.288 2.610 -0.4247 -0.0903 0.3004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27716 8714SOL HW127714 3.696 6.249 2.678 -0.0868 0.7111 0.4555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27717 8714SOL HW227715 3.653 6.385 2.599 -1.0848 -0.0206 -0.2793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27718 8715SOL OW27716 3.702 7.030 1.911 -0.2817 -0.2994 0.6094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27719 8715SOL HW127717 3.652 6.944 1.899 -1.4233 0.4507 -0.2816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27720 8715SOL HW227718 3.755 7.027 1.996 -0.7161 -1.6735 0.8502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27721 8716SOL OW27719 5.410 6.528 2.409 -0.1535 0.9329 0.2184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27722 8716SOL HW127720 5.453 6.442 2.438 -1.1261 -0.0386 -1.0812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27723 8716SOL HW227721 5.448 6.604 2.462 -0.3807 -0.4591 2.5444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27724 8717SOL OW27722 5.266 6.518 2.180 -0.3990 1.1176 -0.1112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27725 8717SOL HW127723 5.294 6.525 2.275 1.7902 1.2328 -0.7107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27726 8717SOL HW227724 5.294 6.429 2.143 -1.9709 0.7304 -0.4516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27727 8718SOL OW27725 4.201 6.157 3.387 -0.2057 -0.7483 0.5226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27728 8718SOL HW127726 4.215 6.220 3.310 -0.7321 1.2808 1.9922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27729 8718SOL HW227727 4.264 6.181 3.460 -1.2743 -1.1257 1.5898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27730 8719SOL OW27728 4.394 7.069 2.119 0.2378 -0.2024 -0.3478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27731 8719SOL HW127729 4.464 7.133 2.088 -0.1473 0.0976 -0.6036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27732 8719SOL HW227730 4.437 6.992 2.167 0.6659 0.5086 0.4216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27733 8720SOL OW27731 5.084 6.669 3.166 0.0161 0.1558 0.0305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27734 8720SOL HW127732 5.150 6.725 3.117 0.1286 0.6885 0.7871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27735 8720SOL HW227733 5.090 6.687 3.264 -0.2274 -0.8788 0.2505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27736 8721SOL OW27734 4.397 5.384 2.353 -0.0447 -0.2397 0.2287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27737 8721SOL HW127735 4.325 5.381 2.423 -0.6641 0.1198 -0.3879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27738 8721SOL HW227736 4.382 5.462 2.292 0.4308 -0.6144 -0.3795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27739 8722SOL OW27737 4.051 6.740 3.228 -0.5220 -0.3623 -0.0481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27740 8722SOL HW127738 4.124 6.679 3.195 1.8522 1.9537 0.5938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27741 8722SOL HW227739 3.979 6.746 3.159 0.4030 -1.8709 -1.2104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27742 8723SOL OW27740 5.004 6.615 1.907 0.2452 0.2796 0.0742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27743 8723SOL HW127741 5.026 6.517 1.899 0.4788 0.2298 1.1888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27744 8723SOL HW227742 5.089 6.666 1.921 0.7778 1.2195 -4.7039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27745 8724SOL OW27743 4.063 5.850 3.850 0.1781 0.0507 0.4413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27746 8724SOL HW127744 4.050 5.917 3.923 0.1501 0.7346 -0.1835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27747 8724SOL HW227745 3.999 5.869 3.775 -0.6642 -1.3890 0.7551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27748 8725SOL OW27746 5.067 6.885 2.607 -0.2328 -0.1369 0.1053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27749 8725SOL HW127747 5.102 6.906 2.698 2.6166 1.8088 -1.3233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27750 8725SOL HW227748 5.071 6.786 2.592 0.7155 -0.3362 1.5186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27751 8726SOL OW27749 4.165 6.101 2.256 0.3356 0.2562 0.0983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27752 8726SOL HW127750 4.235 6.172 2.264 -0.0551 0.5652 0.9103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27753 8726SOL HW227751 4.089 6.122 2.317 0.4877 -1.1827 0.8311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27754 8727SOL OW27752 4.835 5.928 2.640 0.1084 0.1064 0.0012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27755 8727SOL HW127753 4.760 5.878 2.683 0.2980 -1.0641 -1.0004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27756 8727SOL HW227754 4.905 5.948 2.709 -0.5947 0.2268 0.6999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27757 8728SOL OW27755 5.258 7.247 1.804 -0.2064 0.2993 0.3461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27758 8728SOL HW127756 5.308 7.253 1.890 -0.3196 -1.0380 0.5171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27759 8728SOL HW227757 5.318 7.211 1.733 -0.3794 0.5280 0.0795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27760 8729SOL OW27758 4.505 6.041 3.333 -0.1444 -0.0394 -0.2283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27761 8729SOL HW127759 4.561 5.993 3.400 1.1502 -0.7209 -1.7425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27762 8729SOL HW227760 4.442 5.976 3.290 -1.0243 0.4098 0.3477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27763 8730SOL OW27761 5.080 5.948 3.492 -0.1981 0.1984 -0.2462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27764 8730SOL HW127762 5.056 6.001 3.573 0.4084 -2.3758 1.7591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27765 8730SOL HW227763 5.177 5.961 3.470 0.6520 -1.8920 1.8559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27766 8731SOL OW27764 4.734 6.488 3.180 -0.1851 0.0988 0.4581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27767 8731SOL HW127765 4.702 6.394 3.192 -0.7587 0.3997 1.4029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27768 8731SOL HW227766 4.806 6.491 3.111 -0.2420 -1.0136 0.3433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27769 8732SOL OW27767 4.704 5.907 2.967 -0.0773 -0.0537 -0.0905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27770 8732SOL HW127768 4.744 5.993 2.934 0.1058 0.5955 1.6981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27771 8732SOL HW227769 4.705 5.839 2.894 2.7057 0.4657 -0.6491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27772 8733SOL OW27770 4.618 6.179 2.211 0.4681 0.3629 -0.1560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27773 8733SOL HW127771 4.673 6.201 2.292 1.9844 -1.4937 -0.6159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27774 8733SOL HW227772 4.538 6.126 2.238 -0.0547 1.3631 0.3033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27775 8734SOL OW27773 3.975 6.431 2.664 -0.0795 0.0586 0.2610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27776 8734SOL HW127774 4.024 6.481 2.735 0.0067 0.6769 -0.2222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27777 8734SOL HW227775 3.896 6.485 2.634 0.5652 0.3756 -0.9477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27778 8735SOL OW27776 3.780 0.174 3.312 0.1519 -0.7863 -0.4815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27779 8735SOL HW127777 3.871 0.134 3.303 -0.2033 -2.2315 1.5493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27780 8735SOL HW227778 3.710 0.103 3.298 -0.5975 -0.1173 -0.2207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27781 8736SOL OW27779 4.469 5.855 1.966 -0.5051 -0.0726 -0.4277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27782 8736SOL HW127780 4.470 5.895 1.875 1.4854 0.2540 -0.2933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27783 8736SOL HW227781 4.556 5.809 1.984 -0.4449 0.7420 1.6774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27784 8737SOL OW27782 5.516 6.116 3.512 0.3229 -0.8555 -0.1868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27785 8737SOL HW127783 5.510 6.201 3.460 0.7781 -1.0873 -0.6305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27786 8737SOL HW227784 5.445 6.053 3.481 -0.2129 -0.5278 0.3575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27787 8738SOL OW27785 4.984 6.636 2.215 0.0547 0.7144 -0.8138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27788 8738SOL HW127786 5.067 6.592 2.181 1.3696 1.9769 0.6072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27789 8738SOL HW227787 5.006 6.728 2.247 -1.4978 0.4435 1.2607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27790 8739SOL OW27788 4.254 5.858 2.834 -0.7633 -0.2610 -0.2335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27791 8739SOL HW127789 4.204 5.807 2.904 0.2070 -4.6636 -2.4095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27792 8739SOL HW227790 4.188 5.897 2.769 -1.5097 0.9053 1.1513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27793 8740SOL OW27791 4.828 7.246 2.306 -0.3328 -0.1229 0.2678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27794 8740SOL HW127792 4.913 7.290 2.277 0.6180 -0.2098 2.6964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27795 8740SOL HW227793 4.850 7.164 2.360 -1.9978 -0.7953 -0.0018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27796 8741SOL OW27794 4.041 7.222 2.638 -0.3679 -0.2756 0.3905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27797 8741SOL HW127795 4.103 7.181 2.570 -0.5640 0.4717 -0.2632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27798 8741SOL HW227796 4.078 7.310 2.668 -0.3097 -0.5855 1.2298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27799 8742SOL OW27797 5.560 6.631 2.784 0.3419 0.3035 0.9161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27800 8742SOL HW127798 5.553 6.690 2.704 1.3054 0.4004 0.8956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27801 8742SOL HW227799 5.471 6.627 2.830 -0.4503 -0.3908 -0.5906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27802 8743SOL OW27800 5.103 7.132 3.444 0.7891 -0.2929 0.4421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27803 8743SOL HW127801 5.103 7.040 3.404 0.7138 -0.0058 -0.2291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27804 8743SOL HW227802 5.012 7.172 3.434 0.7790 -0.2090 0.8786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27805 8744SOL OW27803 3.838 6.311 2.109 -0.5107 -0.7913 -0.2634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27806 8744SOL HW127804 3.925 6.360 2.100 0.0129 -1.4003 1.0910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27807 8744SOL HW227805 3.849 6.238 2.176 -2.0070 -1.0539 -0.2813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27808 8745SOL OW27806 5.204 6.419 2.571 -0.3179 -0.1903 -0.2833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27809 8745SOL HW127807 5.248 6.336 2.604 0.6542 0.1397 -0.7064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27810 8745SOL HW227808 5.274 6.483 2.538 -1.0691 0.6555 -0.2861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27811 8746SOL OW27809 4.267 6.738 3.601 0.3156 -0.3707 -0.4012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27812 8746SOL HW127810 4.262 6.644 3.632 -1.3383 0.4551 2.1247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27813 8746SOL HW227811 4.176 6.779 3.600 1.1712 1.6930 0.2609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27814 8747SOL OW27812 3.823 5.832 3.344 -0.1511 0.4423 0.0965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27815 8747SOL HW127813 3.813 5.919 3.295 0.6517 0.6309 0.2534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27816 8747SOL HW227814 3.910 5.832 3.394 0.4079 -0.9106 -0.8270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27817 8748SOL OW27815 5.205 6.897 1.668 0.0852 -0.5144 0.0201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27818 8748SOL HW127816 5.258 6.982 1.676 0.6584 -0.7638 -1.0039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27819 8748SOL HW227817 5.108 6.918 1.677 0.2279 0.2388 -0.1190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27820 8749SOL OW27818 5.051 5.648 2.208 -0.6071 0.1956 -0.2529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27821 8749SOL HW127819 5.075 5.644 2.111 0.3673 0.4504 -0.0294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27822 8749SOL HW227820 5.131 5.676 2.262 -1.4346 1.2070 0.5008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27823 8750SOL OW27821 3.985 6.187 2.532 -0.2448 0.1929 0.5095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27824 8750SOL HW127822 3.892 6.189 2.493 0.7009 1.0873 -1.9155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27825 8750SOL HW227823 3.998 6.267 2.590 -0.7008 0.5894 0.0792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27826 8751SOL OW27824 5.076 5.654 3.550 0.0059 0.4625 1.0711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27827 8751SOL HW127825 4.979 5.633 3.536 0.7637 -0.8956 -3.9917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27828 8751SOL HW227826 5.089 5.753 3.551 -1.4084 0.6961 2.8750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27829 8752SOL OW27827 4.427 5.592 2.159 0.1206 0.3360 0.4548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27830 8752SOL HW127828 4.506 5.653 2.149 0.1144 0.2004 -0.5134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27831 8752SOL HW227829 4.409 5.546 2.072 0.0194 -0.9343 1.1236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27832 8753SOL OW27830 4.601 5.749 3.674 0.2979 0.5064 0.2226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27833 8753SOL HW127831 4.641 5.686 3.742 -0.9206 -0.8407 -0.2573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27834 8753SOL HW227832 4.545 5.697 3.610 1.2214 1.7629 -1.7171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27835 8754SOL OW27833 4.693 7.149 3.013 -0.2535 0.1872 0.3183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27836 8754SOL HW127834 4.723 7.066 3.060 -0.5198 0.0597 0.2654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27837 8754SOL HW227835 4.757 7.223 3.031 -0.8584 0.4031 1.6669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27838 8755SOL OW27836 4.987 6.113 3.247 -0.5241 0.1714 0.0510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27839 8755SOL HW127837 5.030 6.060 3.320 2.0577 -1.3702 -2.4315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27840 8755SOL HW227838 5.022 6.206 3.249 1.0768 -0.3895 -0.3666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27841 8756SOL OW27839 4.388 6.771 2.904 -0.1437 0.2223 0.1643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27842 8756SOL HW127840 4.460 6.830 2.868 0.2428 -0.3259 0.0242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27843 8756SOL HW227841 4.303 6.790 2.855 0.0140 0.5448 0.0055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27844 8757SOL OW27842 4.452 6.020 2.698 0.1174 0.5158 -0.7737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27845 8757SOL HW127843 4.431 5.979 2.609 0.0356 -2.1942 0.3752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27846 8757SOL HW227844 4.393 5.979 2.768 1.5667 1.0499 0.8373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27847 8758SOL OW27845 4.169 5.516 2.422 0.3201 0.1466 0.6019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27848 8758SOL HW127846 4.079 5.507 2.466 0.9475 2.3419 2.5616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27849 8758SOL HW227847 4.160 5.571 2.340 -0.3013 -0.7831 0.0262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27850 8759SOL OW27848 4.851 6.869 1.891 -0.3056 0.2257 -0.4632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27851 8759SOL HW127849 4.919 6.797 1.901 -0.2746 0.2189 -0.7087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27852 8759SOL HW227850 4.806 6.885 1.979 1.4790 1.7050 0.2316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27853 8760SOL OW27851 3.939 5.432 2.071 -0.3147 -0.0326 -0.3199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27854 8760SOL HW127852 3.971 5.349 2.026 -2.7296 -1.4761 0.4273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27855 8760SOL HW227853 4.017 5.481 2.110 1.2898 -1.3758 -1.6507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27856 8761SOL OW27854 4.674 5.716 2.104 -0.5171 -0.3083 -0.1677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27857 8761SOL HW127855 4.736 5.774 2.156 -0.9328 0.9505 -1.0369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27858 8761SOL HW227856 4.717 5.626 2.089 0.3204 -0.0868 0.7969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27859 8762SOL OW27857 4.683 6.204 3.166 -0.1454 -0.0983 -0.2585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27860 8762SOL HW127858 4.606 6.164 3.215 0.5251 0.8062 1.6462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27861 8762SOL HW227859 4.768 6.176 3.211 0.4010 2.3069 0.3595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27862 8763SOL OW27860 4.964 7.133 2.498 -0.5616 -0.2164 0.4543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27863 8763SOL HW127861 4.996 7.210 2.553 0.6836 0.2136 -0.8099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27864 8763SOL HW227862 5.003 7.048 2.533 -1.2661 -0.1909 1.3413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27865 8764SOL OW27863 4.323 6.784 2.487 0.3103 -0.3007 -0.1772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27866 8764SOL HW127864 4.276 6.781 2.575 -1.5682 -0.6084 -1.1323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27867 8764SOL HW227865 4.289 6.862 2.434 2.0196 0.3775 -0.3491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27868 8765SOL OW27866 4.664 6.042 1.803 0.2267 0.7201 0.5010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27869 8765SOL HW127867 4.618 6.130 1.788 -1.3918 0.3158 2.7458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27870 8765SOL HW227868 4.711 6.043 1.891 1.6029 -0.1334 -0.1846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27871 8766SOL OW27869 3.847 6.133 3.137 0.4122 0.1173 0.5418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27872 8766SOL HW127870 3.918 6.096 3.077 0.1357 -0.7009 0.7096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27873 8766SOL HW227871 3.870 6.228 3.161 -0.1598 0.9708 -1.9390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27874 8767SOL OW27872 4.085 5.700 2.976 -0.4810 0.4083 0.0895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27875 8767SOL HW127873 4.065 5.649 3.060 -1.1907 -0.8623 -0.8277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27876 8767SOL HW227874 4.009 5.762 2.957 -0.5749 0.2895 0.0786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27877 8768SOL OW27875 4.371 5.873 2.474 -0.7750 -0.4550 0.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27878 8768SOL HW127876 4.387 5.900 2.379 0.5835 0.3540 0.5702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27879 8768SOL HW227877 4.443 5.812 2.504 -0.9770 -0.3835 0.7753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27880 8769SOL OW27878 4.546 5.655 2.468 0.0320 -0.3306 0.6080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27881 8769SOL HW127879 4.497 5.614 2.391 1.3393 1.2905 -1.1820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27882 8769SOL HW227880 4.630 5.604 2.485 -0.0524 -0.4412 0.6986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27883 8770SOL OW27881 5.089 6.601 2.741 0.5328 0.5319 0.0258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27884 8770SOL HW127882 4.990 6.594 2.735 0.5136 0.0532 0.7840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27885 8770SOL HW227883 5.131 6.534 2.680 0.3567 -1.6587 2.1474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27886 8771SOL OW27884 5.313 6.179 2.680 0.7856 0.0514 0.6434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27887 8771SOL HW127885 5.368 6.097 2.674 0.2082 -0.3766 1.0934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27888 8771SOL HW227886 5.252 6.173 2.759 0.3669 0.6790 0.3777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27889 8772SOL OW27887 5.697 6.385 2.081 -0.3911 0.1386 -0.5513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27890 8772SOL HW127888 5.659 6.307 2.131 -0.6005 0.5738 -0.0239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27891 8772SOL HW227889 5.638 6.406 2.003 -0.3017 -0.2616 -0.7324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27892 8773SOL OW27890 4.195 6.868 1.903 -0.2196 -0.0672 -0.4689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27893 8773SOL HW127891 4.121 6.875 1.970 -0.1169 0.3952 -0.3994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27894 8773SOL HW227892 4.240 6.780 1.913 -0.3799 -0.1134 -0.1078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27895 8774SOL OW27893 5.477 6.765 2.534 0.1094 -0.4421 -0.5094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27896 8774SOL HW127894 5.557 6.793 2.481 0.6036 2.0538 1.4074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27897 8774SOL HW227895 5.395 6.809 2.495 0.3840 0.8875 0.3742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27898 8775SOL OW27896 4.995 6.072 1.839 0.4049 -0.0747 0.1943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27899 8775SOL HW127897 4.931 6.065 1.915 1.2819 -1.4940 0.8385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27900 8775SOL HW227898 5.074 6.013 1.856 1.8510 1.5326 -0.6147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27901 8776SOL OW27899 4.143 5.634 2.137 0.0347 -0.6706 -0.6072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27902 8776SOL HW127900 4.242 5.616 2.133 0.5990 -0.0839 4.2737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27903 8776SOL HW227901 4.126 5.731 2.119 0.7771 -0.2167 0.9089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27904 8777SOL OW27902 5.501 6.746 3.219 0.4123 0.4711 0.0384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27905 8777SOL HW127903 5.520 6.648 3.210 2.6843 0.9055 -0.5398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27906 8777SOL HW227904 5.495 6.771 3.315 -1.0089 -0.3432 0.1864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27907 8778SOL OW27905 4.899 6.805 2.995 0.6930 0.2542 -0.1515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27908 8778SOL HW127906 4.827 6.832 3.058 -0.0832 1.4116 -1.4620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27909 8778SOL HW227907 4.945 6.723 3.029 -0.4702 0.1592 1.2899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27910 8779SOL OW27908 5.256 7.191 3.652 0.2984 0.5196 0.7357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27911 8779SOL HW127909 5.353 7.186 3.627 0.1469 -1.1470 0.3402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27912 8779SOL HW227910 5.200 7.175 3.571 -0.2447 -1.5228 1.4539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27913 8780SOL OW27911 4.791 6.658 2.784 -0.2177 -0.3526 0.4672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27914 8780SOL HW127912 4.834 6.718 2.852 1.2879 1.3758 -1.8845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27915 8780SOL HW227913 4.698 6.691 2.766 0.5230 1.2305 -0.6541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27916 8781SOL OW27914 5.329 6.613 2.905 0.6633 -0.1527 -0.0803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27917 8781SOL HW127915 5.320 6.693 2.964 -1.2191 1.2233 -2.1060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27918 8781SOL HW227916 5.238 6.581 2.877 1.3321 -3.0823 0.6674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27919 8782SOL OW27917 4.419 5.838 3.058 -0.3211 0.6867 0.1307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27920 8782SOL HW127918 4.358 5.842 2.979 -0.9892 2.3684 0.6904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27921 8782SOL HW227919 4.511 5.866 3.031 -0.4260 0.7512 -0.1601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27922 8783SOL OW27920 4.702 6.636 3.796 -0.1450 -0.1098 -0.8604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27923 8783SOL HW127921 4.668 6.549 3.760 -0.0755 -1.2714 1.6937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27924 8783SOL HW227922 4.787 6.620 3.846 2.0274 2.0843 -3.5143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27925 8784SOL OW27923 4.314 6.334 2.259 -0.4829 0.0288 0.0356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27926 8784SOL HW127924 4.335 6.391 2.338 -1.3437 0.5742 -0.1185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27927 8784SOL HW227925 4.374 6.359 2.183 0.8027 -0.9444 0.6885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27928 8785SOL OW27926 4.407 6.299 3.066 0.3323 -0.7157 0.2630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27929 8785SOL HW127927 4.499 6.259 3.073 1.0728 0.8001 -0.3805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27930 8785SOL HW227928 4.371 6.283 2.974 0.2916 -0.5826 0.2566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27931 8786SOL OW27929 4.846 5.882 3.188 -0.0702 -0.1350 0.0599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27932 8786SOL HW127930 4.926 5.942 3.193 0.4726 -0.5842 -2.0491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27933 8786SOL HW227931 4.772 5.929 3.139 -0.2276 -0.5864 -0.1395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27934 8787SOL OW27932 3.878 7.224 3.133 -0.4401 0.5396 -0.1507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27935 8787SOL HW127933 3.818 7.196 3.058 1.2122 -1.8633 -0.7312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27936 8787SOL HW227934 3.973 7.199 3.109 0.4264 1.7835 1.8056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27937 8788SOL OW27935 4.183 6.956 2.248 0.0515 -0.5591 0.4833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27938 8788SOL HW127936 4.122 6.888 2.207 1.1191 -1.5161 0.4226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27939 8788SOL HW227937 4.241 6.997 2.177 -1.4500 1.4015 0.3068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27940 8789SOL OW27938 4.133 5.955 2.583 0.3438 0.1697 -0.1943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27941 8789SOL HW127939 4.081 6.034 2.550 0.1636 -0.0635 -0.4728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27942 8789SOL HW227940 4.199 5.927 2.513 -0.1795 -0.4530 -0.4370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27943 8790SOL OW27941 4.996 6.878 2.303 0.5431 0.0358 -0.2321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27944 8790SOL HW127942 4.947 6.933 2.235 -0.7482 -3.1753 -2.1255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27945 8790SOL HW227943 4.975 6.912 2.395 -2.2161 1.1406 -1.1802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27946 8791SOL OW27944 5.099 6.936 2.861 0.1434 0.1369 -0.3791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27947 8791SOL HW127945 5.173 6.894 2.914 -0.0428 0.2716 -0.0045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27948 8791SOL HW227946 5.012 6.896 2.891 -0.2485 2.1046 1.3489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27949 8792SOL OW27947 5.071 6.235 2.177 -0.0039 0.2648 -0.6696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27950 8792SOL HW127948 5.055 6.189 2.264 0.1698 1.0488 -0.2106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27951 8792SOL HW227949 4.996 6.299 2.159 0.5063 0.8994 -0.5580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27952 8793SOL OW27950 4.130 7.115 3.079 -0.7450 -0.1643 0.0623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27953 8793SOL HW127951 4.142 7.057 3.159 -1.4411 1.2530 1.2237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27954 8793SOL HW227952 4.208 7.177 3.070 -2.1023 1.8651 1.5462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27955 8794SOL OW27953 4.296 6.348 3.746 -0.4030 0.1956 -0.1419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27956 8794SOL HW127954 4.388 6.324 3.717 -0.8293 -0.5423 -0.9149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27957 8794SOL HW227955 4.235 6.270 3.734 -1.1205 0.6422 0.4460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27958 8795SOL OW27956 5.506 6.356 3.383 -0.0793 0.1681 0.2941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27959 8795SOL HW127957 5.415 6.394 3.396 0.2976 1.1812 0.0396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27960 8795SOL HW227958 5.552 6.403 3.308 1.3931 1.0808 1.6921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27961 8796SOL OW27959 4.804 5.550 3.786 -0.0545 0.3395 -0.3828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27962 8796SOL HW127960 4.851 5.484 3.845 -1.8829 -0.1027 0.6476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27963 8796SOL HW227961 4.804 5.515 3.692 -0.6771 -1.0241 0.0805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27964 8797SOL OW27962 4.232 5.715 3.645 0.1340 0.3269 0.2197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27965 8797SOL HW127963 4.137 5.724 3.613 0.2717 1.3645 0.0681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27966 8797SOL HW227964 4.262 5.802 3.684 1.3269 0.2953 -0.5624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27967 8798SOL OW27965 4.226 6.538 3.129 0.1585 0.0398 0.4866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27968 8798SOL HW127966 4.301 6.599 3.154 -0.2263 -0.2377 2.4815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27969 8798SOL HW227967 4.260 6.445 3.117 0.0762 -0.2670 2.2728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27970 8799SOL OW27968 4.996 6.298 2.782 0.2948 -0.5888 -0.0513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27971 8799SOL HW127969 4.995 6.294 2.682 0.3962 -1.0259 -0.0330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27972 8799SOL HW227970 5.063 6.233 2.818 0.2632 -0.4287 0.3024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27973 8800SOL OW27971 4.813 6.086 2.047 -0.3938 0.9047 -1.0677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27974 8800SOL HW127972 4.829 6.018 2.118 -3.0639 -0.3188 -1.4929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27975 8800SOL HW227973 4.729 6.137 2.067 0.9834 3.4518 -1.2963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27976 8801SOL OW27974 3.855 5.580 3.121 -0.2923 0.1402 0.6102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27977 8801SOL HW127975 3.799 5.598 3.202 0.0508 -1.3906 1.2122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27978 8801SOL HW227976 3.890 5.486 3.124 -0.1099 0.1116 -1.2220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27979 8802SOL OW27977 3.588 6.898 2.969 -0.2911 -0.0252 0.1542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27980 8802SOL HW127978 3.642 6.982 2.970 0.7974 -0.6991 1.1693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27981 8802SOL HW227979 3.521 6.902 3.043 -0.3499 0.0266 0.0978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27982 8803SOL OW27980 4.279 6.247 2.827 -0.2076 -0.4116 -0.0673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27983 8803SOL HW127981 4.297 6.171 2.765 0.2544 0.0523 -0.5062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27984 8803SOL HW227982 4.289 6.334 2.778 -2.6465 -0.0804 -0.0881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27985 8804SOL OW27983 5.618 6.486 3.599 0.4717 0.6726 0.0056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27986 8804SOL HW127984 5.555 6.458 3.526 0.0493 2.2118 -0.2575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27987 8804SOL HW227985 5.569 6.492 3.686 0.2231 1.8829 -0.2016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27988 8805SOL OW27986 3.937 5.510 2.596 -0.2393 -0.0378 0.0153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27989 8805SOL HW127987 3.900 5.602 2.605 -0.5830 -0.2570 0.9234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27990 8805SOL HW227988 3.942 5.467 2.686 0.6960 -0.6121 -0.2973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27991 8806SOL OW27989 5.344 6.254 2.152 -0.0507 -0.1155 0.2361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27992 8806SOL HW127990 5.412 6.212 2.212 -0.1575 1.5187 1.5990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27993 8806SOL HW227991 5.254 6.216 2.172 -0.1595 0.7286 1.5112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27994 8807SOL OW27992 4.640 6.217 2.730 0.3064 -0.0737 -0.0494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27995 8807SOL HW127993 4.700 6.166 2.791 -0.3654 0.0694 0.7348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27996 8807SOL HW227994 4.561 6.161 2.706 0.0336 0.2611 0.0685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27997 8808SOL OW27995 4.856 0.002 3.486 0.3645 0.2086 0.0525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27998 8808SOL HW127996 4.804 -0.083 3.475 1.3454 -0.4254 0.2398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
27999 8808SOL HW227997 4.802 0.078 3.450 -0.3990 -0.5398 -0.4166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28000 8809SOL OW27998 5.626 7.012 3.171 0.3839 -0.6733 0.1530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28001 8809SOL HW127999 5.591 6.926 3.207 0.5708 0.0106 2.1349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28002 8809SOL HW228000 5.550 7.075 3.154 0.2967 -0.9866 -0.6517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28003 8810SOL OW28001 4.086 6.513 3.869 -0.2037 -0.4081 -0.8496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28004 8810SOL HW128002 4.120 6.589 3.926 -0.8297 -0.8102 0.0949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28005 8810SOL HW228003 4.163 6.457 3.839 0.0636 -1.0735 0.9213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28006 8811SOL OW28004 5.174 5.876 1.882 0.4277 0.1018 -0.2899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28007 8811SOL HW128005 5.132 5.790 1.912 1.0012 0.1120 0.5842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28008 8811SOL HW228006 5.254 5.896 1.939 1.0356 0.5921 -1.2744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28009 8812SOL OW28007 4.957 6.345 1.866 -0.0585 -0.5522 0.4349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28010 8812SOL HW128008 4.986 6.253 1.893 0.2611 -0.6573 -0.2615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28011 8812SOL HW228009 4.950 6.351 1.767 0.3368 0.3023 0.4459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28012 8813SOL OW28010 4.595 6.952 2.834 -0.2496 0.6962 -0.3852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28013 8813SOL HW128011 4.637 7.018 2.896 -0.0640 0.1602 0.0734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28014 8813SOL HW228012 4.567 6.998 2.750 -1.6676 1.7184 0.5765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28015 8814SOL OW28013 4.109 6.549 2.864 -0.0399 -0.7810 0.0500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28016 8814SOL HW128014 4.190 6.514 2.817 -0.5084 -1.5241 -0.2313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28017 8814SOL HW228015 4.134 6.581 2.955 0.7921 0.2057 -0.5072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28018 8815SOL OW28016 3.903 5.877 2.866 -0.0613 0.3273 -0.3769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28019 8815SOL HW128017 3.824 5.831 2.908 -1.9361 2.7102 -1.0388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28020 8815SOL HW228018 3.916 5.842 2.774 0.6019 -1.0926 0.2332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28021 8816SOL OW28019 4.931 5.761 3.884 0.3254 -0.3056 -0.0746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28022 8816SOL HW128020 4.875 5.703 3.826 0.0471 1.7209 -1.9657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28023 8816SOL HW228021 4.872 5.822 3.937 0.5867 1.5442 -1.7623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28024 8817SOL OW28022 4.726 5.658 3.263 -0.6544 0.0688 0.1897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28025 8817SOL HW128023 4.769 5.747 3.249 -0.4721 -0.0045 0.2789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28026 8817SOL HW228024 4.771 5.590 3.204 0.1316 -0.2472 1.1184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28027 8818SOL OW28025 3.740 6.693 2.027 -0.3442 0.4703 -0.6926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28028 8818SOL HW128026 3.658 6.749 2.014 -0.7539 -0.5585 -2.9205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28029 8818SOL HW228027 3.713 6.601 2.056 0.1646 0.6245 0.3219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28030 8819SOL OW28028 4.285 7.081 2.492 -0.1944 -0.1603 0.0985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28031 8819SOL HW128029 4.367 7.090 2.548 -0.1242 -0.2560 0.0093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28032 8819SOL HW228030 4.301 7.122 2.403 -0.8830 1.6220 0.7444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28033 8820SOL OW28031 4.811 6.146 2.920 0.5408 -0.4288 0.4512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28034 8820SOL HW128032 4.878 6.202 2.871 -1.0476 0.2284 -1.0741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28035 8820SOL HW228033 4.770 6.201 2.993 0.0484 -0.0725 -0.0859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28036 8821SOL OW28034 3.795 6.241 2.827 0.1850 0.4107 0.6628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28037 8821SOL HW128035 3.859 6.316 2.812 0.0497 0.2152 -1.1420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28038 8821SOL HW228036 3.824 6.188 2.907 3.5448 -0.9002 -1.2059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28039 8822SOL OW28037 3.941 6.171 3.471 0.4659 0.0367 0.6547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28040 8822SOL HW128038 3.872 6.208 3.409 0.4700 -0.5814 0.2708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28041 8822SOL HW228039 4.027 6.159 3.422 0.1483 -1.5793 0.4294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28042 8823SOL OW28040 5.239 6.451 3.428 0.2258 0.1212 0.3104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28043 8823SOL HW128041 5.217 6.544 3.457 2.2732 0.8706 -0.3042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28044 8823SOL HW228042 5.205 6.436 3.335 2.2488 1.3227 -0.7052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28045 8824SOL OW28043 4.419 5.988 2.206 0.1443 -0.0550 -0.3802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28046 8824SOL HW128044 4.458 5.952 2.121 0.2124 -1.1796 0.1154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28047 8824SOL HW228045 4.319 5.994 2.197 -0.0703 -2.1591 0.1528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28048 8825SOL OW28046 5.168 6.113 2.883 -0.4127 0.1383 0.2198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28049 8825SOL HW128047 5.115 6.029 2.896 1.2842 -1.0385 -0.2074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28050 8825SOL HW228048 5.215 6.136 2.968 1.0166 -0.7165 -0.3122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28051 8826SOL OW28049 3.929 7.047 3.534 0.2751 0.0597 0.7886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28052 8826SOL HW128050 3.863 7.106 3.582 -0.9334 -0.4176 -0.2182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28053 8826SOL HW228051 3.960 6.975 3.596 -1.1777 -0.4829 0.9200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28054 8827SOL OW28052 4.211 5.912 3.287 -0.3857 0.0704 0.5741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28055 8827SOL HW128053 4.225 5.942 3.192 1.6129 -0.1063 0.7553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28056 8827SOL HW228054 4.207 5.992 3.347 -0.6215 0.1544 0.4450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28057 8828SOL OW28055 4.094 5.888 2.079 0.6288 -0.0900 0.2130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28058 8828SOL HW128056 4.117 5.974 2.125 1.6213 0.2036 -0.8087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28059 8828SOL HW228057 4.000 5.893 2.044 0.6609 0.5384 0.2130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28060 8829SOL OW28058 3.868 6.612 3.378 0.6160 0.3435 -0.0792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28061 8829SOL HW128059 3.892 6.618 3.475 1.7824 -1.0174 -0.2521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28062 8829SOL HW228060 3.941 6.654 3.323 0.8748 -0.5309 -0.4326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28063 8830SOL OW28061 4.887 6.472 2.962 -0.5049 -0.4620 0.2163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28064 8830SOL HW128062 4.939 6.398 2.919 -0.4900 -0.9896 1.1152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28065 8830SOL HW228063 4.826 6.514 2.895 2.0746 1.1681 -1.3229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28066 8831SOL OW28064 4.875 6.408 2.114 0.0432 0.0226 0.4057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28067 8831SOL HW128065 4.898 6.504 2.135 -0.4313 -0.2183 2.2719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28068 8831SOL HW228066 4.903 6.386 2.021 0.4628 1.8832 0.0532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28069 8832SOL OW28067 5.485 0.005 3.351 0.0291 -0.0815 0.0970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28070 8832SOL HW128068 5.497 -0.051 3.432 1.8619 1.4560 0.9672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28071 8832SOL HW228069 5.563 0.067 3.341 -0.4137 0.1767 -2.5379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28072 8833SOL OW28070 5.060 7.185 2.863 -0.1149 0.1373 0.1117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28073 8833SOL HW128071 5.097 7.228 2.780 -1.9894 0.5064 -0.5737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28074 8833SOL HW228072 5.067 7.086 2.854 1.9160 0.2017 0.6005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28075 8834SOL OW28073 3.803 6.697 3.050 0.6806 -0.9255 -0.4632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28076 8834SOL HW128074 3.764 6.787 3.031 0.5386 -0.8399 0.1863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28077 8834SOL HW228075 3.783 6.634 2.975 -1.5969 -1.1747 0.2809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28078 8835SOL OW28076 5.290 5.764 2.273 -0.6621 -0.3610 -0.0197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28079 8835SOL HW128077 5.358 5.806 2.213 -1.9280 -1.1191 -2.0804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28080 8835SOL HW228078 5.330 5.684 2.317 -0.3125 -1.0582 -1.5417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28081 8836SOL OW28079 5.243 6.855 2.079 0.4063 0.2943 0.0676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28082 8836SOL HW128080 5.276 6.789 2.011 -1.5073 -2.1478 1.4000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28083 8836SOL HW228081 5.204 6.934 2.031 0.8202 -0.4574 -1.6078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28084 8837SOL OW28082 3.801 0.053 3.701 0.1364 0.5486 -0.1322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28085 8837SOL HW128083 3.767 -0.039 3.723 2.0300 0.1349 1.3151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28086 8837SOL HW228084 3.732 0.121 3.723 -0.6883 -0.4171 0.3423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28087 8838SOL OW28085 4.944 6.433 2.465 -0.7452 -0.1052 -0.2768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28088 8838SOL HW128086 5.036 6.425 2.501 -0.7165 -1.1277 -0.5537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28089 8838SOL HW228087 4.944 6.497 2.387 0.0794 -1.3860 -1.3741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28090 8839SOL OW28088 4.694 6.895 3.146 0.3923 -1.0352 -0.1258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28091 8839SOL HW128089 4.732 6.880 3.237 0.4121 -0.4107 -0.0266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28092 8839SOL HW228090 4.602 6.857 3.141 -1.1705 2.1109 1.3659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28093 8840SOL OW28091 4.392 7.032 1.747 0.9560 -0.2056 -0.5697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28094 8840SOL HW128092 4.414 6.948 1.698 1.8034 -0.7375 0.6545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28095 8840SOL HW228093 4.340 7.010 1.829 1.3440 0.4400 -0.1437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28096 8841SOL OW28094 5.490 5.784 2.732 -0.0717 -0.2341 0.3043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28097 8841SOL HW128095 5.556 5.719 2.693 -0.1094 -1.2621 1.8620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28098 8841SOL HW228096 5.479 5.862 2.670 3.0987 0.3100 0.2771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28099 8842SOL OW28097 3.907 5.777 2.614 0.9126 0.1296 -0.2130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28100 8842SOL HW128098 3.992 5.823 2.585 0.1839 0.9966 -1.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28101 8842SOL HW228099 3.841 5.779 2.539 -0.2998 0.6060 0.8368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28102 8843SOL OW28100 4.808 6.998 2.141 0.0620 -0.2448 -0.4824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28103 8843SOL HW128101 4.749 7.073 2.115 -1.1011 -0.7052 0.7386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28104 8843SOL HW228102 4.753 6.916 2.160 1.1343 -0.8823 0.0121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28105 8844SOL OW28103 4.512 6.529 3.373 -0.2193 0.1162 -0.1885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28106 8844SOL HW128104 4.450 6.607 3.383 0.0079 0.1818 0.8506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28107 8844SOL HW228105 4.569 6.542 3.292 -0.2909 0.9647 -0.1110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28108 8845SOL OW28106 4.565 6.451 2.085 0.2248 0.1779 0.0221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28109 8845SOL HW128107 4.633 6.491 2.023 0.7948 -0.3651 0.2924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28110 8845SOL HW228108 4.598 6.364 2.120 1.4271 1.9241 3.6816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28111 8846SOL OW28109 4.157 6.979 3.319 0.3188 0.2134 0.5943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28112 8846SOL HW128110 4.129 7.000 3.412 -0.9229 2.2651 -0.1579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28113 8846SOL HW228111 4.109 6.897 3.287 -0.9777 0.7604 1.0575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28114 8847SOL OW28112 5.287 6.842 3.090 0.1946 0.0192 -0.4298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28115 8847SOL HW128113 5.371 6.802 3.126 0.7133 0.9611 -0.5448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28116 8847SOL HW228114 5.265 6.925 3.143 -1.4969 -1.0143 0.5851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28117 8848SOL OW28115 4.676 6.602 2.417 -0.4419 0.0755 -0.7461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28118 8848SOL HW128116 4.665 6.556 2.505 -0.0300 1.6363 0.1452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28119 8848SOL HW228117 4.740 6.550 2.360 0.1754 -0.3543 0.3114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28120 8849SOL OW28118 4.670 5.738 2.758 0.1620 0.1997 0.1119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28121 8849SOL HW128119 4.624 5.717 2.672 0.5771 0.5327 -0.2001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28122 8849SOL HW228120 4.673 5.656 2.815 -1.3198 0.3137 0.3961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28123 8850SOL OW28121 4.625 7.194 2.107 -0.2387 -0.0283 0.1316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28124 8850SOL HW128122 4.644 7.235 2.196 -0.2298 -1.5550 0.8718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28125 8850SOL HW228123 4.679 7.240 2.037 0.7111 0.3932 1.1107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28126 8851SOL OW28124 5.436 5.919 3.204 0.1392 0.3961 -0.0303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28127 8851SOL HW128125 5.474 6.005 3.169 1.6683 0.0406 0.6876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28128 8851SOL HW228126 5.436 5.851 3.131 1.1698 0.3217 0.0304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28129 8852SOL OW28127 3.954 6.862 2.114 -0.3068 0.1477 -0.0752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28130 8852SOL HW128128 3.882 6.807 2.072 -2.1602 1.9012 0.6342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28131 8852SOL HW228129 3.912 6.929 2.176 1.9870 1.0611 0.5709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28132 8853SOL OW28130 3.900 6.610 3.648 0.0537 0.2863 -0.4167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28133 8853SOL HW128131 3.802 6.598 3.661 -0.1684 1.4846 -0.8586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28134 8853SOL HW228132 3.950 6.544 3.704 -1.0072 -0.9543 -0.8900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28135 8854SOL OW28133 4.460 5.676 3.264 0.2038 0.0302 -0.5887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28136 8854SOL HW128134 4.419 5.721 3.185 0.1427 1.7174 0.3691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28137 8854SOL HW228135 4.559 5.689 3.263 0.3576 -1.0451 -1.0388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28138 8855SOL OW28136 3.846 5.903 1.706 -0.0724 0.2165 0.4911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28139 8855SOL HW128137 3.751 5.880 1.682 -0.3474 0.8199 0.9792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28140 8855SOL HW228138 3.872 5.987 1.659 0.1051 0.2370 0.6274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28141 8856SOL OW28139 5.143 6.405 3.190 0.0665 0.0187 -0.2099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28142 8856SOL HW128140 5.073 6.474 3.172 0.0569 0.6479 1.8824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28143 8856SOL HW228141 5.194 6.386 3.107 -2.7834 -0.7348 -1.9191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28144 8857SOL OW28142 3.692 5.559 2.140 -0.0884 -0.0692 -0.2397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28145 8857SOL HW128143 3.667 5.644 2.095 -2.0053 -1.2803 -1.5994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28146 8857SOL HW228144 3.791 5.543 2.128 0.3709 2.0683 0.3338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28147 8858SOL OW28145 4.712 6.725 2.111 -0.0616 -0.2896 0.6398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28148 8858SOL HW128146 4.702 6.683 2.021 2.4511 -2.3469 1.2247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28149 8858SOL HW228147 4.786 6.681 2.161 -1.7550 0.3730 4.0119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28150 8859SOL OW28148 4.428 6.280 3.472 0.2582 0.1475 -0.1389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28151 8859SOL HW128149 4.455 6.372 3.444 -0.1179 0.0214 -0.9618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28152 8859SOL HW228150 4.490 6.214 3.429 -0.4902 -0.0673 -0.9063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28153 8860SOL OW28151 5.121 0.063 2.640 0.1577 0.1040 -0.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28154 8860SOL HW128152 5.177 0.143 2.664 -0.1824 0.5466 -0.7271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28155 8860SOL HW228153 5.163 0.016 2.562 -0.6132 0.7508 -0.9141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28156 8861SOL OW28154 4.698 5.921 3.488 -0.1993 -0.2499 -0.3315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28157 8861SOL HW128155 4.758 5.894 3.412 1.7838 1.0029 0.7124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28158 8861SOL HW228156 4.687 5.844 3.551 -0.1367 -0.6589 -0.8137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28159 8862SOL OW28157 5.199 6.751 3.413 0.0486 -0.2055 0.5553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28160 8862SOL HW128158 5.125 6.764 3.480 -1.1385 -0.9950 -0.5636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28161 8862SOL HW228159 5.285 6.782 3.453 -0.6784 -0.3631 2.3340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28162 8863SOL OW28160 5.337 6.280 3.012 -0.7275 0.0591 0.2611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28163 8863SOL HW128161 5.415 6.263 3.073 0.4500 2.5033 -0.4635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28164 8863SOL HW228162 5.368 6.327 2.930 -2.9930 1.2694 0.0267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28165 8864SOL OW28163 4.871 5.854 2.234 -0.3202 0.1418 0.2012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28166 8864SOL HW128164 4.934 5.776 2.232 -1.0070 -0.5002 1.6892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28167 8864SOL HW228165 4.881 5.903 2.321 -2.6763 -0.7379 1.0703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28168 8865SOL OW28166 4.331 6.479 2.707 0.1380 0.4915 -0.3297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28169 8865SOL HW128167 4.423 6.516 2.722 1.7665 -3.4587 1.0004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28170 8865SOL HW228168 4.315 6.466 2.610 0.3790 2.4228 -0.6643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28171 8866SOL OW28169 5.348 5.935 3.447 -0.2521 0.0284 -0.2148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28172 8866SOL HW128170 5.381 5.920 3.354 0.9747 -0.7637 0.3260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28173 8866SOL HW228171 5.348 5.848 3.497 -0.4926 0.5171 0.6596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28174 8867SOL OW28172 5.583 6.481 3.156 0.1209 0.5519 0.0672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28175 8867SOL HW128173 5.674 6.518 3.172 0.6119 -0.6582 0.1870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28176 8867SOL HW228174 5.561 6.485 3.059 0.0068 1.4951 0.1287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28177 8868SOL OW28175 4.514 6.860 2.233 -0.0652 0.0974 -0.5512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28178 8868SOL HW128176 4.541 6.859 2.330 0.6407 1.2288 -0.7213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28179 8868SOL HW228177 4.575 6.801 2.181 1.3686 1.6576 -0.7267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28180 8869SOL OW28178 4.624 6.476 2.667 -0.4429 0.3245 0.1540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28181 8869SOL HW128179 4.621 6.379 2.692 1.3440 0.4209 0.8867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28182 8869SOL HW228180 4.697 6.522 2.718 0.6112 1.4503 -2.1738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28183 8870SOL OW28181 4.704 6.552 1.882 0.5602 -0.3818 0.2270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28184 8870SOL HW128182 4.698 6.564 1.783 0.6219 1.6257 0.4170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28185 8870SOL HW228183 4.800 6.544 1.909 0.5411 -0.9667 0.1295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28186 8871SOL OW28184 5.324 7.068 2.567 0.4105 0.1982 -0.4277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28187 8871SOL HW128185 5.273 6.983 2.576 -2.1986 1.7199 0.2642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28188 8871SOL HW228186 5.378 7.084 2.649 2.4440 -1.6316 -1.3276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28189 8872SOL OW28187 4.005 6.857 3.693 -0.0707 0.2555 0.2249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28190 8872SOL HW128188 3.958 6.771 3.671 -0.6339 0.4951 0.4544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28191 8872SOL HW228189 4.005 6.871 3.792 -0.2322 0.6543 0.1726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28192 8873SOL OW28190 3.981 6.989 2.440 0.0399 0.0906 -0.1852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28193 8873SOL HW128191 3.984 6.922 2.514 0.7352 1.5811 1.1801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28194 8873SOL HW228192 4.068 6.989 2.391 -0.1034 -0.2493 -0.4526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28195 8874SOL OW28193 4.688 7.049 3.483 0.6023 -0.1131 0.1321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28196 8874SOL HW128194 4.613 7.040 3.418 -1.4077 1.8768 1.9848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28197 8874SOL HW228195 4.681 6.977 3.553 0.8248 -0.2891 -0.0215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28198 8875SOL OW28196 5.447 5.708 3.000 0.6672 0.4933 0.4981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28199 8875SOL HW128197 5.514 5.636 3.019 1.9700 2.0341 2.0681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28200 8875SOL HW228198 5.462 5.744 2.908 1.9877 0.7504 0.7901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28201 8876SOL OW28199 3.791 6.133 2.324 0.1792 -0.0513 -0.0894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28202 8876SOL HW128200 3.700 6.175 2.323 0.5082 0.7236 0.8607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28203 8876SOL HW228201 3.785 6.041 2.286 -1.0904 -0.1977 0.4004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28204 8877SOL OW28202 5.473 7.116 2.838 0.2426 0.0096 0.3790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28205 8877SOL HW128203 5.565 7.080 2.853 1.6376 0.9550 -4.3241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28206 8877SOL HW228204 5.468 7.210 2.872 1.4766 0.3460 -0.2962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28207 8878SOL OW28205 4.063 6.150 2.955 0.6049 0.0928 0.5337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28208 8878SOL HW128206 4.022 6.098 2.880 1.0748 -0.0738 0.3845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28209 8878SOL HW228207 4.147 6.194 2.923 1.4700 -0.9675 1.2555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28210 8879SOL OW28208 4.547 7.114 2.603 -0.1032 0.1139 0.1088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28211 8879SOL HW128209 4.577 7.199 2.560 1.1533 0.3392 1.3586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28212 8879SOL HW228210 4.597 7.037 2.563 0.2934 0.2083 0.4142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28213 8880SOL OW28211 5.025 5.871 2.852 0.2744 -0.3440 -0.4784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28214 8880SOL HW128212 5.094 5.798 2.853 -0.9747 -1.5659 0.2724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28215 8880SOL HW228213 4.954 5.850 2.920 0.0207 1.7314 -0.0376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28216 8881SOL OW28214 4.635 5.537 2.916 0.4027 0.0121 -0.2387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28217 8881SOL HW128215 4.547 5.494 2.897 0.4329 0.6695 -2.0543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28218 8881SOL HW228216 4.676 5.494 2.996 -0.1700 -2.4318 -1.1702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28219 8882SOL OW28217 4.589 6.859 2.497 0.1020 -0.3636 -0.1247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28220 8882SOL HW128218 4.497 6.840 2.531 0.8163 -0.6530 1.8047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28221 8882SOL HW228219 4.633 6.773 2.471 -0.1535 -0.2278 -1.0249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28222 8883SOL OW28220 4.411 0.002 3.010 -0.2709 0.2440 -0.1550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28223 8883SOL HW128221 4.419 0.002 3.110 -0.1767 -2.0544 -0.1153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28224 8883SOL HW228222 4.484 -0.053 2.970 -1.3136 -0.3189 -1.3682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28225 8884SOL OW28223 5.018 5.660 1.907 -0.0291 -0.2213 0.4543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28226 8884SOL HW128224 5.043 5.575 1.861 -1.9962 -0.3839 -0.4287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28227 8884SOL HW228225 4.932 5.647 1.957 -0.7095 1.3874 -0.2174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28228 8885SOL OW28226 4.951 6.019 2.424 -0.1945 -0.2096 0.5552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28229 8885SOL HW128227 4.897 6.100 2.400 0.8319 0.5034 0.6380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28230 8885SOL HW228228 4.909 5.973 2.502 -1.0502 -0.0392 0.2085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28231 8886SOL OW28229 5.210 5.600 2.604 0.1119 -0.0867 0.1411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28232 8886SOL HW128230 5.112 5.616 2.600 0.2601 1.2145 0.8074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28233 8886SOL HW228231 5.244 5.575 2.514 -0.6878 0.4596 -0.3217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28234 8887SOL OW28232 3.612 6.456 2.118 0.0750 0.0512 -0.0486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28235 8887SOL HW128233 3.696 6.402 2.115 -0.0890 -0.1714 -2.2581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28236 8887SOL HW228234 3.534 6.394 2.133 0.0041 -0.2247 -1.4096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28237 8888SOL OW28235 3.882 6.327 3.930 0.0551 -0.4302 0.3555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28238 8888SOL HW128236 3.805 6.339 3.868 -0.4192 2.4545 1.3829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28239 8888SOL HW228237 3.951 6.397 3.912 1.1712 -1.2528 1.2934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28240 8889SOL OW28238 3.843 5.924 4.921 -0.2615 0.0462 0.2054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28241 8889SOL HW128239 3.914 5.883 4.978 -0.9103 -0.7572 0.4529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28242 8889SOL HW228240 3.762 5.866 4.921 -1.1766 1.2733 0.4913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28243 8890SOL OW28241 3.693 5.746 4.269 0.2511 0.3907 0.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28244 8890SOL HW128242 3.633 5.771 4.345 -1.2223 -0.2778 -0.8672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28245 8890SOL HW228243 3.720 5.650 4.278 -0.5188 0.1031 -0.6489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28246 8891SOL OW28244 4.344 6.865 5.069 0.0057 -1.2642 0.0524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28247 8891SOL HW128245 4.278 6.890 4.998 0.8802 -1.2372 -0.7807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28248 8891SOL HW228246 4.401 6.944 5.091 0.0706 -1.4108 0.4123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28249 8892SOL OW28247 5.301 7.065 4.311 0.2247 0.1611 0.3068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28250 8892SOL HW128248 5.219 7.081 4.366 0.1349 -2.3052 1.0274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28251 8892SOL HW228249 5.281 7.082 4.215 -0.6080 1.2684 0.6577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28252 8893SOL OW28250 4.846 6.371 4.329 0.3859 -0.3252 -0.3026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28253 8893SOL HW128251 4.766 6.414 4.371 1.1129 -1.6395 2.6996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28254 8893SOL HW228252 4.925 6.432 4.336 0.6309 -0.7450 0.8548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28255 8894SOL OW28253 5.495 6.155 3.782 -0.0385 -0.5177 -0.2378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28256 8894SOL HW128254 5.515 6.134 3.686 -0.8872 0.5614 -0.6787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28257 8894SOL HW228255 5.416 6.100 3.812 -1.2113 0.7493 -0.8820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28258 8895SOL OW28256 4.450 6.702 4.860 0.0981 -0.0824 0.0674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28259 8895SOL HW128257 4.393 6.744 4.930 1.0323 0.5997 0.4306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28260 8895SOL HW228258 4.403 6.708 4.771 -0.6804 -0.1345 0.4671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28261 8896SOL OW28259 4.524 6.232 5.620 0.0475 0.0923 -0.2682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28262 8896SOL HW128260 4.532 6.249 5.718 -1.0731 -0.2584 -0.0975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28263 8896SOL HW228261 4.537 6.318 5.570 -0.5906 0.5174 0.2733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28264 8897SOL OW28262 4.610 6.470 4.423 0.4334 -0.0481 0.1811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28265 8897SOL HW128263 4.645 6.444 4.513 2.9983 -0.8712 -0.9421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28266 8897SOL HW228264 4.510 6.467 4.423 0.4042 -1.1812 2.6476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28267 8898SOL OW28265 4.557 6.793 5.599 0.0086 0.1342 -0.7490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28268 8898SOL HW128266 4.552 6.887 5.632 0.8817 0.0401 -0.3206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28269 8898SOL HW228267 4.553 6.793 5.499 -3.7886 0.3434 -0.7214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28270 8899SOL OW28268 4.150 6.932 4.903 0.0962 0.0104 -0.0254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28271 8899SOL HW128269 4.061 6.889 4.886 0.1690 -0.2710 0.2864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28272 8899SOL HW228270 4.180 6.981 4.821 0.3229 -1.0929 -0.6143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28273 8900SOL OW28271 5.042 7.035 5.337 -0.4296 0.1271 -0.0735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28274 8900SOL HW128272 5.007 6.968 5.402 0.2958 -0.5077 -0.3223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28275 8900SOL HW228273 4.970 7.100 5.313 -1.2716 -0.8306 -0.1717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28276 8901SOL OW28274 4.078 5.998 5.338 0.6750 0.6156 -0.0751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28277 8901SOL HW128275 4.130 5.992 5.423 0.5512 -0.3580 -0.0587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28278 8901SOL HW228276 3.980 6.003 5.360 0.5512 -0.9263 -0.1650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28279 8902SOL OW28277 5.153 5.981 4.441 0.0183 0.2996 0.4661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28280 8902SOL HW128278 5.117 5.889 4.455 0.7896 -0.0181 0.4040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28281 8902SOL HW228279 5.236 5.993 4.495 1.2161 0.1637 -1.2866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28282 8903SOL OW28280 4.876 6.866 5.500 0.5077 0.7520 -0.2428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28283 8903SOL HW128281 4.890 6.767 5.507 0.0138 0.7484 1.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28284 8903SOL HW228282 4.801 6.885 5.437 0.9438 0.3007 -0.9036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28285 8904SOL OW28283 3.968 7.058 4.143 0.3214 0.4088 0.0049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28286 8904SOL HW128284 3.935 7.139 4.095 1.6167 0.2821 -1.1298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28287 8904SOL HW228285 3.968 7.076 4.242 -1.7945 0.8731 -0.0181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28288 8905SOL OW28286 4.078 6.695 4.675 1.3558 0.0269 -0.2685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28289 8905SOL HW128287 4.100 6.600 4.695 0.3606 -0.3242 -0.8018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28290 8905SOL HW228288 3.993 6.720 4.720 0.9024 0.2487 -1.2259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28291 8906SOL OW28289 4.208 6.704 4.015 0.4765 0.0574 -0.0134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28292 8906SOL HW128290 4.182 6.800 4.015 0.5463 0.0797 0.3241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28293 8906SOL HW228291 4.307 6.696 4.001 0.5135 0.0507 0.2441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28294 8907SOL OW28292 5.082 5.793 5.136 0.0433 0.3857 -0.5172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28295 8907SOL HW128293 5.109 5.805 5.040 -1.9216 0.3129 -1.1266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28296 8907SOL HW228294 5.002 5.849 5.155 -0.2447 -0.4240 0.7796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28297 8908SOL OW28295 3.967 6.110 4.500 0.0315 0.4434 -0.1040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28298 8908SOL HW128296 3.976 6.057 4.584 -1.1112 -0.9021 -0.7917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28299 8908SOL HW228297 3.877 6.152 4.497 -0.6864 -1.0890 -1.4825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28300 8909SOL OW28298 3.709 7.067 3.762 0.3214 0.1745 -0.2337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28301 8909SOL HW128299 3.675 7.005 3.692 0.4682 -1.0204 0.7051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28302 8909SOL HW228300 3.681 7.033 3.852 -0.1607 1.8448 0.2882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28303 8910SOL OW28301 5.340 6.490 4.219 -0.6855 -0.2585 -0.3268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28304 8910SOL HW128302 5.382 6.449 4.300 -1.4026 0.6060 0.4921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28305 8910SOL HW228303 5.412 6.514 4.154 0.0185 0.2940 0.6274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28306 8911SOL OW28304 5.338 6.765 4.056 -0.8065 0.8632 -0.0429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28307 8911SOL HW128305 5.400 6.687 4.058 -0.8525 0.8276 0.0001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28308 8911SOL HW228306 5.391 6.850 4.063 -0.5190 0.9744 -2.6930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28309 8912SOL OW28307 3.780 6.527 5.292 -0.1969 0.0829 -0.2924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28310 8912SOL HW128308 3.825 6.548 5.205 -2.1784 2.2059 -0.8971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28311 8912SOL HW228309 3.681 6.535 5.281 -0.4772 1.0776 2.3057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28312 8913SOL OW28310 4.341 6.739 4.622 -0.1618 -0.3948 -0.0553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28313 8913SOL HW128311 4.247 6.743 4.656 -0.7069 0.0167 -1.5176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28314 8913SOL HW228312 4.357 6.817 4.562 1.0452 -0.6013 -0.0117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28315 8914SOL OW28313 4.932 6.616 5.446 0.1234 -0.1057 -0.1500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28316 8914SOL HW128314 4.936 6.539 5.511 1.3724 0.3092 0.2854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28317 8914SOL HW228315 5.024 6.644 5.422 -0.2617 2.0450 0.6357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28318 8915SOL OW28316 4.410 5.791 4.272 -0.2230 0.2830 0.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28319 8915SOL HW128317 4.461 5.830 4.195 1.2961 0.1430 0.9375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28320 8915SOL HW228318 4.364 5.865 4.321 -0.8951 0.4161 -0.7740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28321 8916SOL OW28319 3.931 6.567 5.080 0.2222 -0.2391 0.1943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28322 8916SOL HW128320 4.018 6.520 5.063 -0.3079 -0.4356 -2.1994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28323 8916SOL HW228321 3.908 6.626 5.003 -1.6098 0.0869 0.9340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28324 8917SOL OW28322 5.353 6.444 3.754 0.2085 -0.2170 0.3277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28325 8917SOL HW128323 5.390 6.358 3.718 0.3245 -0.3478 0.7600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28326 8917SOL HW228324 5.273 6.425 3.810 -0.7495 0.0861 -0.8712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28327 8918SOL OW28325 4.163 5.911 5.581 0.6265 -0.5654 0.0178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28328 8918SOL HW128326 4.137 5.987 5.641 -0.2866 0.9929 -2.2213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28329 8918SOL HW228327 4.087 5.847 5.575 0.6894 -0.6859 0.4259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28330 8919SOL OW28328 5.123 6.894 4.766 -0.1450 -0.5150 0.7900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28331 8919SOL HW128329 5.208 6.917 4.813 -0.2221 -2.2859 1.8778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28332 8919SOL HW228330 5.123 6.797 4.743 -1.3155 -0.2530 -0.4221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28333 8920SOL OW28331 4.220 6.315 4.057 -0.1299 0.3070 0.1652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28334 8920SOL HW128332 4.257 6.222 4.056 0.4517 0.5385 -0.0242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28335 8920SOL HW228333 4.284 6.377 4.012 0.1202 1.0405 1.4972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28336 8921SOL OW28334 5.094 6.121 4.823 0.5420 0.0287 0.5865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28337 8921SOL HW128335 5.130 6.170 4.902 -2.3814 0.6395 1.6758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28338 8921SOL HW228336 5.098 6.023 4.840 0.0393 0.1513 1.4781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28339 8922SOL OW28337 5.050 7.192 3.846 0.1048 -0.3004 -0.0066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28340 8922SOL HW128338 4.954 7.214 3.825 -0.4265 -1.8666 0.6449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28341 8922SOL HW228339 5.106 7.202 3.764 -0.8036 -0.3595 -0.6430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28342 8923SOL OW28340 4.453 6.152 5.134 -0.1121 0.2896 0.4227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28343 8923SOL HW128341 4.418 6.141 5.227 0.7078 -1.2717 0.5766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28344 8923SOL HW228342 4.397 6.101 5.070 0.0410 0.3682 0.2243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28345 8924SOL OW28343 5.094 6.130 5.540 -0.2218 0.4446 -0.4805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28346 8924SOL HW128344 5.067 6.165 5.630 1.2119 1.8403 -0.5556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28347 8924SOL HW228345 5.141 6.042 5.550 -1.4028 -0.1498 -0.0262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28348 8925SOL OW28346 4.568 6.461 5.428 0.0533 -0.1484 0.0268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28349 8925SOL HW128347 4.629 6.412 5.366 0.9717 -1.8510 2.1444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28350 8925SOL HW228348 4.513 6.526 5.376 1.8576 -0.3611 -2.3103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28351 8926SOL OW28349 4.616 5.938 4.868 -0.2946 0.2251 -0.0441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28352 8926SOL HW128350 4.587 6.018 4.921 -0.7611 0.3302 -0.4523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28353 8926SOL HW228351 4.701 5.959 4.821 -1.2983 1.1101 -1.5438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28354 8927SOL OW28352 4.774 6.357 4.065 -0.0238 -0.1295 0.0210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28355 8927SOL HW128353 4.798 6.383 4.158 -0.5099 3.3837 -0.6893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28356 8927SOL HW228354 4.678 6.327 4.062 -0.7673 2.0250 0.3973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28357 8928SOL OW28355 3.852 6.353 4.740 0.0517 0.1522 0.2024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28358 8928SOL HW128356 3.948 6.355 4.711 0.2464 -0.5106 0.7632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28359 8928SOL HW228357 3.812 6.443 4.729 1.0072 0.6741 0.8299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28360 8929SOL OW28358 3.820 0.096 5.368 -0.5014 -0.0664 0.1001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28361 8929SOL HW128359 3.732 0.069 5.409 -0.0128 0.2008 1.3776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28362 8929SOL HW228360 3.836 0.043 5.285 -2.3510 0.6086 -0.7393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28363 8930SOL OW28361 4.484 5.971 3.821 -0.4241 -0.4402 0.1471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28364 8930SOL HW128362 4.534 6.054 3.794 -0.3422 0.4119 2.6336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28365 8930SOL HW228363 4.510 5.895 3.761 0.7258 0.9442 -1.1845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28366 8931SOL OW28364 5.486 6.215 5.602 -0.2059 -0.5809 0.5786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28367 8931SOL HW128365 5.493 6.143 5.534 1.3975 -0.3502 0.4507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28368 8931SOL HW228366 5.471 6.303 5.557 1.5110 -0.3276 0.4036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28369 8932SOL OW28367 5.072 6.729 4.001 0.3353 0.9859 -0.0301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28370 8932SOL HW128368 5.165 6.751 4.031 0.5450 0.3389 -0.1737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28371 8932SOL HW228369 5.043 6.795 3.932 1.2657 0.3631 -1.0627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28372 8933SOL OW28370 4.400 5.688 4.742 -0.1766 0.2249 -0.2562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28373 8933SOL HW128371 4.370 5.716 4.833 1.5513 0.4321 0.2770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28374 8933SOL HW228372 4.389 5.765 4.678 3.1325 1.8408 0.8787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28375 8934SOL OW28373 4.826 7.028 4.137 -0.3181 0.7522 -0.2577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28376 8934SOL HW128374 4.887 7.107 4.141 -0.9942 1.3533 -1.3792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28377 8934SOL HW228375 4.825 6.982 4.226 -0.7912 2.6801 0.7783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28378 8935SOL OW28376 3.873 7.058 4.553 -0.1113 -0.5335 0.0392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28379 8935SOL HW128377 3.800 7.069 4.620 0.7180 0.7829 0.7660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28380 8935SOL HW228378 3.954 7.020 4.598 0.5867 0.7481 -0.0895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28381 8936SOL OW28379 5.453 6.820 4.563 -0.1071 -0.1227 -0.0168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28382 8936SOL HW128380 5.422 6.901 4.613 0.5492 0.6656 -0.8457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28383 8936SOL HW228381 5.381 6.790 4.501 -0.0422 0.3561 -0.3324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28384 8937SOL OW28382 4.845 7.218 5.287 0.2037 -0.2440 -0.4374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28385 8937SOL HW128383 4.789 7.273 5.349 0.9762 0.7003 -0.5548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28386 8937SOL HW228384 4.885 7.277 5.217 -0.5279 -1.2887 -1.7603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28387 8938SOL OW28385 4.005 6.384 4.196 -0.6392 -0.2934 0.1023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28388 8938SOL HW128386 3.913 6.368 4.161 -0.8710 -1.8215 1.3080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28389 8938SOL HW228387 4.073 6.354 4.129 -0.9920 0.7469 -0.7490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28390 8939SOL OW28388 5.091 6.490 4.399 -0.0486 -0.1876 -0.3707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28391 8939SOL HW128389 5.100 6.410 4.459 0.8033 -0.8300 -1.3196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28392 8939SOL HW228390 5.162 6.487 4.328 0.1374 1.5278 -0.3066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28393 8940SOL OW28391 4.309 6.937 5.539 -0.8640 0.7569 -0.1759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28394 8940SOL HW128392 4.332 6.854 5.488 -0.2053 0.5952 0.3679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28395 8940SOL HW228393 4.274 6.912 5.629 -1.8825 1.0438 -0.4825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28396 8941SOL OW28394 3.813 6.050 5.379 -0.0007 0.0533 -0.0994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28397 8941SOL HW128395 3.768 6.022 5.294 -2.7794 -0.9127 1.5468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28398 8941SOL HW228396 3.791 5.984 5.451 2.1793 0.8883 1.4403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28399 8942SOL OW28397 5.303 6.954 3.810 -0.3772 -0.0846 0.2404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28400 8942SOL HW128398 5.293 7.020 3.736 -4.0023 0.9449 1.4456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28401 8942SOL HW228399 5.301 6.861 3.772 1.0781 0.3945 -1.1365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28402 8943SOL OW28400 4.894 5.670 4.165 0.1841 -0.1094 0.2746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28403 8943SOL HW128401 4.927 5.664 4.071 -0.0963 -0.6782 0.2079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28404 8943SOL HW228402 4.934 5.595 4.219 -1.6386 -1.3689 -0.0172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28405 8944SOL OW28403 4.185 6.098 4.347 0.1232 -0.1112 0.1096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28406 8944SOL HW128404 4.154 6.030 4.280 0.0912 -0.6442 0.6586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28407 8944SOL HW228405 4.110 6.119 4.409 0.2034 0.2621 0.0799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28408 8945SOL OW28406 5.339 5.532 5.733 -0.4418 0.2097 0.2123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28409 8945SOL HW128407 5.317 5.627 5.753 -0.6170 -0.1269 1.7644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28410 8945SOL HW228408 5.254 5.481 5.720 -0.3453 0.5047 -2.1087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28411 8946SOL OW28409 4.501 5.567 3.981 0.0331 0.0752 -0.3284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28412 8946SOL HW128410 4.546 5.649 4.017 -0.7710 0.4329 -0.0936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28413 8946SOL HW228411 4.402 5.578 3.990 -0.0995 -0.7215 -0.7521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28414 8947SOL OW28412 4.408 5.836 5.487 0.5286 -0.1122 -0.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28415 8947SOL HW128413 4.462 5.756 5.512 1.1863 0.3222 -0.0814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28416 8947SOL HW228414 4.333 5.848 5.552 -0.1097 -1.2125 -0.5868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28417 8948SOL OW28415 4.620 6.908 4.832 0.4961 -0.1863 -0.0189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28418 8948SOL HW128416 4.697 6.892 4.770 0.8102 -0.4851 0.4407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28419 8948SOL HW228417 4.568 6.823 4.842 -0.7642 0.3710 -1.4681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28420 8949SOL OW28418 4.955 6.162 5.330 0.7252 0.1637 0.1358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28421 8949SOL HW128419 5.005 6.145 5.415 -0.3968 0.3916 0.8573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28422 8949SOL HW228420 5.012 6.216 5.268 -0.2572 5.0123 2.8936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28423 8950SOL OW28421 4.803 6.830 4.675 0.4521 0.9024 0.0424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28424 8950SOL HW128422 4.825 6.866 4.584 -1.0224 0.4877 -0.5063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28425 8950SOL HW228423 4.832 6.734 4.681 -0.6354 0.5208 -0.4891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28426 8951SOL OW28424 4.740 5.932 4.482 -0.5581 0.1463 -0.2704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28427 8951SOL HW128425 4.695 5.987 4.412 0.2749 -0.3647 -1.2280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28428 8951SOL HW228426 4.677 5.863 4.516 -0.7077 -0.1473 -1.1292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28429 8952SOL OW28427 4.235 5.641 4.039 -0.3658 -0.4279 -0.7473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28430 8952SOL HW128428 4.223 5.639 4.138 0.8178 -0.9214 -0.5927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28431 8952SOL HW228429 4.197 5.726 4.002 -1.5462 -0.6133 0.0124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28432 8953SOL OW28430 5.331 6.719 3.680 -0.3928 -0.1939 -0.0748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28433 8953SOL HW128431 5.358 6.624 3.694 1.1641 0.2620 0.2145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28434 8953SOL HW228432 5.232 6.726 3.685 -0.5675 -1.8662 -0.5589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28435 8954SOL OW28433 3.761 5.410 3.927 0.1811 -0.4310 -0.3373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28436 8954SOL HW128434 3.704 5.344 3.878 -0.3125 -0.4987 0.3108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28437 8954SOL HW228435 3.829 5.448 3.865 1.2631 -2.4159 -0.4676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28438 8955SOL OW28436 4.572 5.841 4.037 -0.3522 -0.0091 0.5489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28439 8955SOL HW128437 4.531 5.904 3.970 0.6451 0.6712 0.5638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28440 8955SOL HW228438 4.664 5.872 4.060 0.3732 -1.7761 0.1737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28441 8956SOL OW28439 4.701 6.274 5.276 -0.4315 -0.0252 0.3367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28442 8956SOL HW128440 4.640 6.209 5.232 0.9762 -1.2288 0.0950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28443 8956SOL HW228441 4.780 6.226 5.314 2.0341 1.7376 -2.1185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28444 8957SOL OW28442 5.111 7.022 4.527 -0.2535 0.1475 0.1592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28445 8957SOL HW128443 5.140 7.108 4.569 0.9228 0.3139 -0.9296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28446 8957SOL HW228444 5.118 6.948 4.594 2.2332 0.2860 0.1603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28447 8958SOL OW28445 4.347 6.526 4.453 0.3279 -0.2252 0.1276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28448 8958SOL HW128446 4.325 6.577 4.536 -0.0550 1.0937 -0.7381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28449 8958SOL HW228447 4.285 6.554 4.380 1.2918 -0.5997 -0.8686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28450 8959SOL OW28448 4.619 6.202 3.781 -0.0724 0.5319 0.1979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28451 8959SOL HW128449 4.633 6.281 3.722 -1.3673 1.4233 1.0226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28452 8959SOL HW228450 4.707 6.167 3.813 0.7198 -0.3097 -2.6005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28453 8960SOL OW28451 3.815 6.204 5.014 0.1189 0.5760 -0.4071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28454 8960SOL HW128452 3.879 6.146 5.064 -0.0541 0.3022 -0.4975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28455 8960SOL HW228453 3.864 6.260 4.948 0.7708 3.2903 2.2200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28456 8961SOL OW28454 4.307 5.739 4.996 0.4650 -0.0668 0.1143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28457 8961SOL HW128455 4.358 5.751 5.081 -1.1924 1.2980 0.9651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28458 8961SOL HW228456 4.214 5.710 5.016 -0.1794 1.0250 -1.1757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28459 8962SOL OW28457 4.583 6.058 4.316 0.2191 0.1482 -0.5020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28460 8962SOL HW128458 4.539 6.105 4.393 -0.4409 -0.6488 -0.3844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28461 8962SOL HW228459 4.583 6.118 4.236 0.3278 0.7426 -0.0608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28462 8963SOL OW28460 4.836 5.464 4.554 -0.2090 -0.3720 0.9889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28463 8963SOL HW128461 4.759 5.524 4.574 0.1969 0.0400 1.3103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28464 8963SOL HW228462 4.837 5.388 4.619 0.3464 0.2594 1.7225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28465 8964SOL OW28463 5.106 6.648 4.648 0.0734 0.0309 0.1474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28466 8964SOL HW128464 5.141 6.661 4.556 0.0715 1.4264 0.3255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28467 8964SOL HW228465 5.008 6.627 4.645 0.4944 -2.0892 -0.2543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28468 8965SOL OW28466 5.064 6.239 4.548 -0.3581 -0.6471 0.2597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28469 8965SOL HW128467 5.053 6.263 4.645 2.7436 0.3075 0.5094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28470 8965SOL HW228468 5.073 6.140 4.540 -1.5487 -0.8174 0.8056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28471 8966SOL OW28469 5.619 6.258 3.991 -0.1970 -0.0855 -0.4008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28472 8966SOL HW128470 5.609 6.226 4.085 2.1558 -2.0322 -0.7072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28473 8966SOL HW228471 5.550 6.214 3.934 0.6288 -1.7784 -0.1522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28474 8967SOL OW28472 4.425 6.966 4.166 0.0284 -0.1714 -0.3017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28475 8967SOL HW128473 4.445 6.869 4.174 -0.6114 -0.1279 3.3787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28476 8967SOL HW228474 4.346 6.979 4.107 -1.1934 -2.1276 0.8014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28477 8968SOL OW28475 5.309 6.788 4.340 0.3357 -0.3778 0.1665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28478 8968SOL HW128476 5.313 6.887 4.332 0.4369 -0.3460 0.6062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28479 8968SOL HW228477 5.295 6.748 4.249 -0.9225 0.0904 0.1471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28480 8969SOL OW28478 5.031 6.124 3.685 -0.2079 -0.5842 -0.0582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28481 8969SOL HW128479 4.957 6.129 3.752 -0.2509 0.0268 -0.1419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28482 8969SOL HW228480 5.118 6.107 3.733 -0.2780 -0.4304 0.1274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28483 8970SOL OW28481 4.313 6.043 4.049 -0.3230 0.4029 -0.1828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28484 8970SOL HW128482 4.238 5.996 4.094 0.9299 -0.9097 0.6016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28485 8970SOL HW228483 4.354 5.982 3.980 1.3444 0.2725 0.8710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28486 8971SOL OW28484 5.345 6.811 5.204 0.0464 -0.1666 -0.2692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28487 8971SOL HW128485 5.386 6.728 5.164 1.7452 0.3721 0.2566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28488 8971SOL HW228486 5.407 6.888 5.192 -0.2181 0.4276 1.7169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28489 8972SOL OW28487 4.795 6.663 5.213 0.2614 -0.1607 0.3253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28490 8972SOL HW128488 4.713 6.710 5.243 0.4535 -0.4414 1.3235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28491 8972SOL HW228489 4.845 6.629 5.292 0.0136 -2.2333 -0.3394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28492 8973SOL OW28490 5.258 7.187 5.315 0.2996 -0.4258 0.1093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28493 8973SOL HW128491 5.236 7.257 5.247 1.2626 0.7164 0.9671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28494 8973SOL HW228492 5.178 7.127 5.327 -1.4266 1.9332 1.1076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28495 8974SOL OW28493 4.906 6.856 5.028 -0.4327 0.2368 0.1571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28496 8974SOL HW128494 4.839 6.814 5.089 -0.6043 1.4675 0.8550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28497 8974SOL HW228495 4.859 6.891 4.947 -0.6493 1.0517 0.6219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28498 8975SOL OW28496 5.273 6.579 4.839 0.1973 0.5600 0.0826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28499 8975SOL HW128497 5.262 6.639 4.919 -0.3471 0.3984 0.1382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28500 8975SOL HW228498 5.203 6.602 4.771 -0.9232 -0.8900 0.6735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28501 8976SOL OW28499 4.669 5.649 4.962 0.3526 0.1814 -0.0718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28502 8976SOL HW128500 4.606 5.711 4.917 -1.1897 -0.6350 0.8684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28503 8976SOL HW228501 4.684 5.678 5.056 -0.9672 -1.1976 0.6133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28504 8977SOL OW28502 4.646 6.561 5.650 -0.0575 0.5270 0.4958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28505 8977SOL HW128503 4.618 6.658 5.647 1.5886 1.0280 0.3994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28506 8977SOL HW228504 4.621 6.517 5.563 1.0634 1.4460 -0.3342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28507 8978SOL OW28505 4.491 6.686 4.006 0.4277 -0.1383 -0.3135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28508 8978SOL HW128506 4.551 6.666 3.929 -0.2386 0.9938 -1.1767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28509 8978SOL HW228507 4.535 6.660 4.092 0.8379 -2.2391 -1.1176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28510 8979SOL OW28508 4.140 6.403 5.024 0.0303 -0.0939 0.6530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28511 8979SOL HW128509 4.224 6.426 5.073 1.6905 -1.6811 -1.2264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28512 8979SOL HW228510 4.125 6.304 5.029 -1.2748 0.0652 0.2594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28513 8980SOL OW28511 4.831 6.014 5.144 0.6046 0.3975 0.2123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28514 8980SOL HW128512 4.870 6.050 5.228 0.7063 0.0411 0.3202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28515 8980SOL HW228513 4.877 6.056 5.065 1.2260 -0.0353 0.3382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28516 8981SOL OW28514 3.801 7.208 5.153 -0.3855 0.3878 -0.0658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28517 8981SOL HW128515 3.723 7.173 5.101 -0.3081 2.3329 -1.5759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28518 8981SOL HW228516 3.886 7.172 5.114 -0.4318 -0.4826 0.6006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28519 8982SOL OW28517 4.164 6.591 4.254 -0.3490 -0.1084 -0.2598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28520 8982SOL HW128518 4.197 6.625 4.166 -1.2956 1.2711 -0.1163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28521 8982SOL HW228519 4.100 6.516 4.238 -0.6478 0.2434 -0.7604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28522 8983SOL OW28520 4.379 5.929 4.623 0.2411 -0.1465 0.2846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28523 8983SOL HW128521 4.449 6.000 4.616 0.5319 -0.5850 -2.4893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28524 8983SOL HW228522 4.290 5.971 4.636 0.6775 0.5890 0.9814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28525 8984SOL OW28523 4.965 6.936 3.843 -0.2199 -0.3376 -0.7403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28526 8984SOL HW128524 5.009 7.024 3.862 1.3366 -1.2415 0.0429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28527 8984SOL HW228525 4.866 6.946 3.851 0.0311 0.8160 1.7119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28528 8985SOL OW28526 5.054 7.109 5.023 0.0322 0.8521 -0.0423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28529 8985SOL HW128527 4.997 7.191 5.015 0.2023 0.8928 -1.0010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28530 8985SOL HW228528 4.997 7.029 5.041 -0.2291 1.0396 -0.0480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28531 8986SOL OW28529 5.136 6.152 4.123 0.0968 -0.0737 0.0225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28532 8986SOL HW128530 5.222 6.125 4.166 -0.4855 0.9101 1.9460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28533 8986SOL HW228531 5.064 6.153 4.193 -0.8509 1.9413 -0.9115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28534 8987SOL OW28532 4.067 7.139 5.081 -0.0249 0.1072 -0.1325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28535 8987SOL HW128533 4.110 7.081 5.011 -0.8116 -0.5412 -0.0988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28536 8987SOL HW228534 4.127 7.147 5.160 0.0446 -0.7715 -0.0910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28537 8988SOL OW28535 4.261 6.338 5.383 -0.1482 0.5768 0.0404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28538 8988SOL HW128536 4.297 6.370 5.296 -1.4644 1.7695 -0.0942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28539 8988SOL HW228537 4.276 6.239 5.390 -0.8167 0.2698 -1.9628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28540 8989SOL OW28538 5.439 6.442 5.480 0.3106 0.2292 -0.1042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28541 8989SOL HW128539 5.376 6.441 5.402 -0.8853 1.8933 0.7764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28542 8989SOL HW228540 5.488 6.529 5.482 -0.3884 0.6308 1.4859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28543 8990SOL OW28541 4.599 5.619 5.522 0.2269 0.2894 -0.1942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28544 8990SOL HW128542 4.697 5.623 5.506 0.6737 -0.7025 1.9719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28545 8990SOL HW228543 4.573 5.526 5.548 -1.2035 0.6474 -0.2291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28546 8991SOL OW28544 4.073 5.674 5.288 -0.2985 0.3215 0.0606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28547 8991SOL HW128545 4.004 5.603 5.303 -0.4028 0.3342 -0.3351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28548 8991SOL HW228546 4.065 5.744 5.359 0.2543 -0.4006 0.8560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28549 8992SOL OW28547 4.496 6.398 4.835 0.3805 -0.1686 1.0162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28550 8992SOL HW128548 4.466 6.492 4.820 -1.3575 -0.6974 0.9950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28551 8992SOL HW228549 4.577 6.399 4.894 1.0539 1.3674 0.1500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28552 8993SOL OW28550 4.849 6.561 4.722 -0.4019 -0.3085 0.1722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28553 8993SOL HW128551 4.813 6.486 4.665 0.9874 -0.8205 -0.0577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28554 8993SOL HW228552 4.847 6.532 4.818 -0.0803 -0.5558 0.1057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28555 8994SOL OW28553 4.872 6.162 3.903 -0.5343 0.0067 0.2684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28556 8994SOL HW128554 4.862 6.078 3.956 0.6757 0.3117 1.0290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28557 8994SOL HW228555 4.871 6.240 3.965 0.6259 0.3912 -0.1748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28558 8995SOL OW28556 4.013 5.712 5.026 0.0310 -0.0993 -0.2029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28559 8995SOL HW128557 4.024 5.722 5.125 -2.0981 -0.2865 0.0905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28560 8995SOL HW228558 3.965 5.627 5.006 -1.2356 0.8285 -1.2542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28561 8996SOL OW28559 3.749 6.906 5.019 0.3322 0.1692 -0.4331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28562 8996SOL HW128560 3.790 6.892 5.109 0.1822 -0.1477 -0.4150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28563 8996SOL HW228561 3.676 6.974 5.027 -2.2717 -2.5220 0.4582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28564 8997SOL OW28562 4.321 6.237 4.736 0.1993 -0.3134 -0.1970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28565 8997SOL HW128563 4.348 6.226 4.640 -0.7981 0.6444 -0.6237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28566 8997SOL HW228564 4.374 6.311 4.777 -1.1949 1.1273 -0.8459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28567 8998SOL OW28565 5.783 6.378 5.551 -0.6777 -0.2928 -0.0007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28568 8998SOL HW128566 5.703 6.375 5.611 -0.7033 3.7718 0.4694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28569 8998SOL HW228567 5.866 6.365 5.605 -0.8221 1.1370 0.6271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28570 8999SOL OW28568 4.150 5.611 4.306 -0.5539 0.2211 0.0621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28571 8999SOL HW128569 4.100 5.659 4.379 0.0330 0.9119 0.0237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28572 8999SOL HW228570 4.240 5.584 4.340 -0.6422 -0.3058 -0.1175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28573 9000SOL OW28571 5.239 6.058 3.846 -0.4001 0.6829 0.5397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28574 9000SOL HW128572 5.233 5.958 3.850 -0.9919 0.7074 0.3825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28575 9000SOL HW228573 5.199 6.098 3.929 -0.2687 0.7928 0.5507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28576 9001SOL OW28574 4.831 6.062 4.706 -0.0539 0.2800 -0.3315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28577 9001SOL HW128575 4.927 6.058 4.735 -0.6617 -1.3558 1.7152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28578 9001SOL HW228576 4.823 6.024 4.614 1.3382 1.0720 -0.8070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28579 9002SOL OW28577 4.609 0.056 5.443 0.3714 0.7851 -0.1399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28580 9002SOL HW128578 4.571 0.140 5.481 -2.6369 0.0668 -1.2428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28581 9002SOL HW228579 4.562 -0.023 5.483 -0.7451 -0.0950 -2.9281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28582 9003SOL OW28580 5.317 7.118 4.994 0.1486 -0.3555 0.4814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28583 9003SOL HW128581 5.220 7.100 5.008 0.1431 -1.1666 -0.4626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28584 9003SOL HW228582 5.335 7.215 5.004 -0.8282 -0.1453 0.3194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28585 9004SOL OW28583 4.207 6.566 5.620 -0.1462 -0.7216 0.0842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28586 9004SOL HW128584 4.293 6.597 5.661 -0.3687 -2.1033 1.6731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28587 9004SOL HW228585 4.228 6.501 5.546 0.1950 0.4100 -0.8519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28588 9005SOL OW28586 5.205 5.721 3.862 -0.1830 0.1687 0.5387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28589 9005SOL HW128587 5.107 5.738 3.869 0.0376 1.5862 0.4812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28590 9005SOL HW228588 5.227 5.632 3.903 -1.4352 0.0046 0.8782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28591 9006SOL OW28589 5.001 6.339 3.514 -0.8932 -0.0551 -0.4199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28592 9006SOL HW128590 5.008 6.255 3.569 0.3173 -0.1230 -0.6527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28593 9006SOL HW228591 5.092 6.367 3.484 -1.0437 2.3406 1.1213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28594 9007SOL OW28592 4.865 6.936 4.413 -0.0443 0.3717 0.2948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28595 9007SOL HW128593 4.901 6.858 4.362 -1.6727 2.0758 -3.9196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28596 9007SOL HW228594 4.941 6.994 4.443 1.0324 -0.7819 -0.1098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28597 9008SOL OW28595 4.128 6.442 4.752 0.0556 0.3202 0.3455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28598 9008SOL HW128596 4.125 6.444 4.852 2.5955 -0.2508 0.4983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28599 9008SOL HW228597 4.181 6.363 4.721 -0.1172 0.8542 -1.4434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28600 9009SOL OW28598 4.030 5.933 4.695 0.2669 -0.5489 0.2916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28601 9009SOL HW128599 3.972 5.946 4.776 -1.7572 -2.1525 -0.7905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28602 9009SOL HW228600 4.059 5.837 4.691 1.1317 -0.2661 -0.3889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28603 9010SOL OW28601 4.824 5.828 5.450 -0.4601 0.0658 -0.1038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28604 9010SOL HW128602 4.803 5.909 5.504 0.7106 0.7964 -0.6952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28605 9010SOL HW228603 4.914 5.838 5.408 -0.2804 -1.5609 -0.1830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28606 9011SOL OW28604 4.720 5.761 5.208 -0.6504 0.3032 -0.3109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28607 9011SOL HW128605 4.761 5.751 5.298 0.3139 -1.4524 -0.8940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28608 9011SOL HW228606 4.726 5.857 5.178 0.5000 0.5953 0.7955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28609 9012SOL OW28607 3.780 6.629 4.009 0.1154 -0.2209 -0.4284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28610 9012SOL HW128608 3.739 6.552 3.960 -1.0278 -0.2775 0.5616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28611 9012SOL HW228609 3.762 6.619 4.107 0.8271 0.7900 -0.1825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28612 9013SOL OW28610 4.240 7.083 4.715 1.0486 -0.1060 0.1413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28613 9013SOL HW128611 4.235 7.172 4.672 0.7361 0.8884 2.1122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28614 9013SOL HW228612 4.319 7.032 4.679 0.5853 0.4901 -1.7913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28615 9014SOL OW28613 4.719 6.361 5.022 0.1315 0.0782 -0.2671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28616 9014SOL HW128614 4.801 6.418 5.016 0.2512 -0.0614 0.0256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28617 9014SOL HW228615 4.706 6.331 5.116 -2.3003 3.0710 0.4969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28618 9015SOL OW28616 3.727 6.108 4.720 -0.3757 -0.1344 -0.2165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28619 9015SOL HW128617 3.744 6.198 4.762 -0.5610 -0.4179 0.4878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28620 9015SOL HW228618 3.748 6.037 4.787 -1.2639 -0.5875 -0.4185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28621 9016SOL OW28619 3.893 6.310 5.421 0.2502 0.0673 0.1376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28622 9016SOL HW128620 3.867 6.216 5.399 2.7902 -0.6516 -0.0713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28623 9016SOL HW228621 3.853 6.373 5.353 0.6453 -1.1553 -1.2803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28624 9017SOL OW28622 5.204 6.438 5.351 0.2830 -0.2480 0.3179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28625 9017SOL HW128623 5.197 6.530 5.313 -1.8032 0.1046 1.3686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28626 9017SOL HW228624 5.152 6.374 5.295 -0.7059 -0.1992 1.1409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28627 9018SOL OW28625 4.539 6.183 4.073 0.4584 0.2320 0.0855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28628 9018SOL HW128626 4.586 6.153 3.990 0.5587 0.9627 -0.1338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28629 9018SOL HW228627 4.453 6.133 4.083 0.6873 -0.2198 -0.1834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28630 9019SOL OW28628 5.346 6.045 4.663 0.4894 0.0498 -0.6039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28631 9019SOL HW128629 5.283 6.098 4.720 1.2454 1.2907 -0.8884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28632 9019SOL HW228630 5.387 5.972 4.718 -1.0316 -0.6769 -0.3726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28633 9020SOL OW28631 3.575 0.021 5.448 -0.4828 0.3972 0.5655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28634 9020SOL HW128632 3.520 0.068 5.379 1.2084 -0.3399 -1.3618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28635 9020SOL HW228633 3.515 -0.012 5.521 -2.6254 -0.4963 -1.4858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28636 9021SOL OW28634 4.311 6.023 4.924 -0.0940 -0.2026 -0.0565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28637 9021SOL HW128635 4.355 5.937 4.899 -2.1546 -1.0806 -0.8344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28638 9021SOL HW228636 4.312 6.085 4.845 1.1358 0.4302 0.4189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28639 9022SOL OW28637 3.872 6.035 3.994 0.4103 0.2306 0.4778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28640 9022SOL HW128638 3.778 6.029 3.960 0.3204 -0.7234 0.8500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28641 9022SOL HW228639 3.907 6.127 3.980 0.3753 -0.0865 -2.1644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28642 9023SOL OW28640 4.098 6.559 5.308 0.3683 0.2123 -0.1361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28643 9023SOL HW128641 4.113 6.464 5.333 2.0641 0.1760 -1.1072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28644 9023SOL HW228642 4.014 6.567 5.254 -0.2747 -0.5587 0.7263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28645 9024SOL OW28643 4.942 6.516 5.019 -0.1573 0.2402 0.1860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28646 9024SOL HW128644 5.028 6.559 4.991 0.4850 0.3225 2.1142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28647 9024SOL HW228645 4.882 6.585 5.059 -0.0150 -0.2430 1.2698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28648 9025SOL OW28646 5.175 6.373 3.988 0.5585 0.6489 -0.1460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28649 9025SOL HW128647 5.214 6.433 4.058 -0.6069 0.7658 0.4237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28650 9025SOL HW228648 5.133 6.293 4.031 -0.5562 0.9344 -0.6681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28651 9026SOL OW28649 5.704 0.049 4.600 -0.1237 0.0808 -0.1843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28652 9026SOL HW128650 5.789 -0.004 4.596 0.0970 0.5120 -1.8852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28653 9026SOL HW228651 5.633 0.002 4.548 -0.6698 0.1923 0.4514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28654 9027SOL OW28652 4.869 7.144 4.790 0.5583 0.0657 -0.2067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28655 9027SOL HW128653 4.838 7.100 4.706 -0.5756 -0.5672 0.5180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28656 9027SOL HW228654 4.960 7.111 4.813 -0.1302 -1.7282 0.1468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28657 9028SOL OW28655 3.883 6.766 4.843 -0.4408 -0.2368 0.0346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28658 9028SOL HW128656 3.829 6.830 4.897 -0.8239 1.0672 -1.7772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28659 9028SOL HW228657 3.823 6.705 4.792 -0.1630 -0.1272 -0.4365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28660 9029SOL OW28658 5.534 5.782 4.141 0.5938 -0.4100 0.2044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28661 9029SOL HW128659 5.520 5.803 4.044 -0.6019 0.4159 0.5360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28662 9029SOL HW228660 5.458 5.728 4.175 -0.0954 1.1099 1.1835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28663 9030SOL OW28661 5.204 7.061 4.048 -0.0876 -0.5574 0.0244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28664 9030SOL HW128662 5.247 7.015 3.971 -1.9810 0.0332 -1.4577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28665 9030SOL HW228663 5.141 7.131 4.015 1.7105 2.3566 2.1411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28666 9031SOL OW28664 3.432 0.313 5.426 0.2133 0.0039 -0.5759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28667 9031SOL HW128665 3.354 0.279 5.374 0.2138 -1.0397 0.0820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28668 9031SOL HW228666 3.485 0.376 5.369 -0.7982 0.3127 -1.2048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28669 9032SOL OW28667 4.943 6.713 4.266 -0.4308 0.2279 -0.6290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28670 9032SOL HW128668 5.007 6.647 4.304 -0.8744 1.4127 2.5588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28671 9032SOL HW228669 4.969 6.736 4.172 2.5353 -0.8679 -0.1732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28672 9033SOL OW28670 4.670 7.019 5.368 -0.0977 -0.1264 0.2550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28673 9033SOL HW128671 4.613 7.057 5.441 -1.6026 1.4142 -1.6097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28674 9033SOL HW228672 4.731 7.091 5.333 0.2520 -0.6985 -0.3304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28675 9034SOL OW28673 4.196 6.996 4.034 -0.2396 0.2694 0.7831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28676 9034SOL HW128674 4.218 7.055 3.956 1.2606 -3.8594 -2.2645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28677 9034SOL HW228675 4.109 7.026 4.074 -1.1993 2.5973 -2.5377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28678 9035SOL OW28676 5.498 5.659 4.623 -0.3192 -0.6338 0.0164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28679 9035SOL HW128677 5.528 5.565 4.642 3.8140 -0.0350 -2.2352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28680 9035SOL HW228678 5.480 5.670 4.526 -2.1012 0.6470 0.4427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28681 9036SOL OW28679 3.956 5.719 4.458 -0.3150 0.9967 0.4353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28682 9036SOL HW128680 3.871 5.771 4.447 0.3237 1.9329 -0.1227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28683 9036SOL HW228681 3.973 5.706 4.556 -1.3120 0.4321 0.5506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28684 9037SOL OW28682 4.795 7.210 3.744 0.1972 0.2159 -0.0152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28685 9037SOL HW128683 4.725 7.143 3.718 -0.1638 0.7438 -0.4216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28686 9037SOL HW228684 4.837 7.248 3.662 -0.4151 1.3360 0.1665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28687 9038SOL OW28685 4.560 6.779 5.318 -0.1184 -0.1944 -0.1674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28688 9038SOL HW128686 4.468 6.760 5.284 0.6424 -0.9704 -1.8856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28689 9038SOL HW228687 4.581 6.876 5.307 -0.4788 -0.1414 -0.3854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28690 9039SOL OW28688 4.942 6.517 3.838 -0.0890 -0.4551 0.0700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28691 9039SOL HW128689 4.940 6.417 3.843 -0.9765 -0.4047 1.0858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28692 9039SOL HW228690 4.994 6.554 3.915 2.6461 -0.1794 -1.7776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28693 9040SOL OW28691 4.292 6.750 5.315 0.4154 -0.0266 0.3465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28694 9040SOL HW128692 4.289 6.809 5.235 1.0480 2.3085 1.9256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28695 9040SOL HW228693 4.212 6.690 5.317 0.1522 0.2058 -1.7350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28696 9041SOL OW28694 5.152 6.721 5.051 0.2722 0.3807 -0.0132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28697 9041SOL HW128695 5.209 6.767 5.119 0.7015 1.5440 -1.1065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28698 9041SOL HW228696 5.090 6.788 5.009 1.9930 0.4277 -2.7699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28699 9042SOL OW28697 4.637 6.727 4.232 -0.4768 -0.5810 -0.2622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28700 9042SOL HW128698 4.631 6.655 4.301 1.0782 -1.9347 -1.4772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28701 9042SOL HW228699 4.730 6.731 4.195 -0.8275 1.2723 -1.0720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28702 9043SOL OW28700 4.968 5.760 4.519 0.4893 -0.1115 -0.1051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28703 9043SOL HW128701 4.922 5.696 4.580 0.4020 0.9360 0.9514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28704 9043SOL HW228702 4.906 5.836 4.497 1.6508 1.3010 1.3120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28705 9044SOL OW28703 4.439 6.984 4.519 0.6661 -0.0994 0.3886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28706 9044SOL HW128704 4.454 6.961 4.423 0.7974 -0.0793 0.4028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28707 9044SOL HW228705 4.524 7.022 4.557 1.1392 -1.6728 0.9719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28708 9045SOL OW28706 5.384 5.684 5.177 -0.4834 -0.7777 0.4208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28709 9045SOL HW128707 5.354 5.773 5.142 0.7703 -0.2811 0.5578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28710 9045SOL HW228708 5.408 5.624 5.100 1.3783 -0.0056 0.3546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28711 9046SOL OW28709 3.964 6.844 3.962 0.3619 -0.0297 0.4879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28712 9046SOL HW128710 3.932 6.755 3.991 0.5513 0.1974 1.4137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28713 9046SOL HW228711 3.986 6.900 4.042 1.2574 0.4724 -0.0925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28714 9047SOL OW28712 3.872 6.706 5.462 -0.3404 0.0207 -0.1600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28715 9047SOL HW128713 3.823 6.644 5.400 -0.9329 -0.7722 1.0603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28716 9047SOL HW228714 3.965 6.674 5.474 -0.2176 0.1863 -0.6367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28717 9048SOL OW28715 4.429 5.746 5.228 0.1341 -0.3063 -0.5998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28718 9048SOL HW128716 4.528 5.758 5.238 0.2622 -2.0709 0.7877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28719 9048SOL HW228717 4.382 5.803 5.296 0.3652 -1.5412 0.6420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28720 9049SOL OW28718 3.869 5.975 3.672 0.3540 0.2485 -0.1991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28721 9049SOL HW128719 3.778 5.985 3.712 0.4184 -0.1780 0.0734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28722 9049SOL HW228720 3.886 6.048 3.606 -0.5265 -0.1812 -0.9097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28723 9050SOL OW28721 5.097 6.296 5.147 0.2609 -0.3058 1.0856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28724 9050SOL HW128722 5.031 6.360 5.106 -0.6092 -2.0519 -0.3752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28725 9050SOL HW228723 5.184 6.301 5.098 0.6084 0.5959 1.7629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28726 9051SOL OW28724 3.515 5.540 3.916 0.3437 0.0587 -0.3594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28727 9051SOL HW128725 3.476 5.513 3.828 -1.3215 1.2460 -0.0217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28728 9051SOL HW228726 3.603 5.494 3.928 -0.0774 -1.2798 -1.9657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28729 9052SOL OW28727 5.059 6.726 3.673 -0.6448 0.6231 -0.1319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28730 9052SOL HW128728 5.017 6.645 3.715 2.4423 -0.3152 1.4352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28731 9052SOL HW228729 5.020 6.808 3.714 -2.6289 -0.0868 -0.5065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28732 9053SOL OW28730 4.393 6.430 5.162 -0.3361 0.0956 0.2903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28733 9053SOL HW128731 4.471 6.491 5.154 -1.7278 1.7691 -1.5609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28734 9053SOL HW228732 4.421 6.336 5.142 0.7432 1.0714 -3.6603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28735 9054SOL OW28733 5.149 0.041 4.621 0.0900 0.3899 0.8807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28736 9054SOL HW128734 5.053 0.058 4.597 0.0599 -0.6957 0.1810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28737 9054SOL HW228735 5.183 0.118 4.675 -1.0135 1.0424 0.6924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28738 9055SOL OW28736 4.400 6.098 5.398 0.0731 -0.3213 -0.0800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28739 9055SOL HW128737 4.461 6.157 5.451 1.3727 -1.0178 -0.7732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28740 9055SOL HW228738 4.397 6.007 5.440 -1.0542 -0.1156 0.3401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28741 9056SOL OW28739 5.166 6.733 5.393 -0.2676 0.1959 -0.2515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28742 9056SOL HW128740 5.198 6.788 5.470 -2.3884 1.1568 0.0263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28743 9056SOL HW228741 5.219 6.757 5.311 -0.1685 1.5939 0.1951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28744 9057SOL OW28742 5.348 6.367 4.692 -0.6763 -0.3891 0.4318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28745 9057SOL HW128743 5.352 6.290 4.756 1.1327 -1.0099 -0.3531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28746 9057SOL HW228744 5.328 6.451 4.742 0.1644 -0.9351 1.7328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28747 9058SOL OW28745 4.827 5.923 4.101 0.3291 -0.1726 0.3614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28748 9058SOL HW128746 4.843 5.828 4.128 0.9491 -0.4706 -1.0085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28749 9058SOL HW228747 4.863 5.984 4.172 2.6912 -0.9337 -0.1019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28750 9059SOL OW28748 4.362 6.235 4.481 -0.0228 -0.2180 -0.5354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28751 9059SOL HW128749 4.331 6.329 4.473 0.4760 0.0938 0.9735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28752 9059SOL HW228750 4.297 6.175 4.434 -0.7223 0.8003 -0.9036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28753 9060SOL OW28751 5.292 5.935 5.582 0.3878 0.3617 0.5652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28754 9060SOL HW128752 5.382 5.976 5.567 0.9826 -1.2085 -0.4674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28755 9060SOL HW228753 5.292 5.888 5.670 0.3418 0.9343 0.8752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28756 9061SOL OW28754 5.312 6.161 4.987 -0.8078 -0.0267 -0.2832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28757 9061SOL HW128755 5.368 6.243 4.999 -0.2553 -0.4415 0.0241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28758 9061SOL HW228756 5.348 6.087 5.044 -0.6602 -0.8026 -1.3612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28759 9062SOL OW28757 4.691 6.891 3.708 -0.4213 -0.5440 -0.5045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28760 9062SOL HW128758 4.660 6.939 3.790 0.0660 -1.4039 0.1998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28761 9062SOL HW228759 4.684 6.793 3.722 -1.0383 -0.7053 -1.7814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28762 9063SOL OW28760 4.720 6.339 4.657 0.6771 0.1277 0.1264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28763 9063SOL HW128761 4.733 6.242 4.636 -0.3413 0.0289 -0.0924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28764 9063SOL HW228762 4.639 6.350 4.714 1.4048 0.7536 1.0813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28765 9064SOL OW28763 4.836 6.521 3.438 0.2944 -0.0627 -0.0390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28766 9064SOL HW128764 4.819 6.501 3.342 -0.9378 -1.8174 0.4890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28767 9064SOL HW228765 4.899 6.452 3.476 0.0590 0.0751 0.6227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28768 9065SOL OW28766 5.479 7.206 4.463 0.6620 -0.4588 -0.3927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28769 9065SOL HW128767 5.447 7.169 4.375 0.3993 1.1761 -1.0209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28770 9065SOL HW228768 5.460 7.140 4.536 0.7315 -1.7772 -1.5294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28771 9066SOL OW28769 4.217 6.855 5.793 -0.1455 1.1027 -0.6639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28772 9066SOL HW128770 4.291 6.789 5.807 1.1171 2.1565 -2.0563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28773 9066SOL HW228771 4.129 6.807 5.791 0.7128 -0.5024 -1.3851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28774 9067SOL OW28772 4.103 6.805 4.414 -0.7076 -0.1813 0.9312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28775 9067SOL HW128773 4.092 6.776 4.509 -1.4891 -0.9760 0.6143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28776 9067SOL HW228774 4.115 6.724 4.356 -0.0995 0.3054 0.3656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28777 9068SOL OW28775 4.228 7.093 5.332 0.6970 0.0618 0.1601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28778 9068SOL HW128776 4.255 7.025 5.400 1.6487 0.5462 0.2847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28779 9068SOL HW228777 4.158 7.153 5.370 2.4356 1.4241 1.3849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28780 9069SOL OW28778 5.454 5.853 4.844 -0.2718 -0.1276 -0.2322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28781 9069SOL HW128779 5.472 5.786 4.773 1.6648 1.3038 -1.1663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28782 9069SOL HW228780 5.537 5.871 4.896 -1.7066 -1.4433 2.7779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28783 9070SOL OW28781 4.099 5.911 4.173 0.2361 0.0210 -1.0023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28784 9070SOL HW128782 4.013 5.943 4.132 -0.7844 -1.6728 -0.2849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28785 9070SOL HW228783 4.089 5.817 4.203 1.5736 0.5364 1.3409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28786 9071SOL OW28784 5.349 7.095 4.695 -0.4088 -0.5524 0.4510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28787 9071SOL HW128785 5.328 7.192 4.683 0.4918 -0.3831 0.2375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28788 9071SOL HW228786 5.383 7.079 4.788 -1.4905 -0.8458 0.8239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28789 9072SOL OW28787 4.102 6.101 5.062 0.0305 0.1589 0.1829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28790 9072SOL HW128788 4.111 6.088 5.161 -0.2352 1.4625 0.3924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28791 9072SOL HW228789 4.179 6.057 5.015 0.3950 -0.0907 0.9987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28792 9073SOL OW28790 4.703 7.128 4.502 0.3075 -0.5368 0.0443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28793 9073SOL HW128791 4.620 7.140 4.447 0.3487 -1.9978 -0.3893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28794 9073SOL HW228792 4.754 7.048 4.469 1.9961 0.4342 0.1880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28795 9074SOL OW28793 5.169 5.826 4.891 0.5694 0.1383 -0.0938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28796 9074SOL HW128794 5.148 5.735 4.856 -1.3030 -0.6601 2.6907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28797 9074SOL HW228795 5.266 5.845 4.879 0.5390 -1.1008 -3.0341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28798 9075SOL OW28796 4.876 5.457 4.924 -0.2698 -0.0277 -0.3710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28799 9075SOL HW128797 4.788 5.506 4.920 -0.5223 -0.5106 -0.9657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28800 9075SOL HW228798 4.923 5.480 5.009 -1.1384 -0.0421 0.1267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28801 9076SOL OW28799 4.648 6.961 3.951 -0.7194 0.1409 0.4931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28802 9076SOL HW128800 4.565 6.932 3.998 -0.3497 0.4269 1.3520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28803 9076SOL HW228801 4.711 7.003 4.017 0.6599 -1.2452 0.1200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28804 9077SOL OW28802 4.455 7.131 5.154 -0.2364 0.0446 0.5164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28805 9077SOL HW128803 4.375 7.121 5.213 0.0576 -0.4036 0.8351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28806 9077SOL HW228804 4.511 7.207 5.187 0.6950 -1.1209 1.7064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28807 9078SOL OW28805 5.163 5.502 4.032 0.0226 0.1048 0.1062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28808 9078SOL HW128806 5.221 5.440 4.084 -0.6572 0.1620 0.9580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28809 9078SOL HW228807 5.084 5.452 3.996 1.6410 -0.5065 -2.9719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28810 9079SOL OW28808 4.942 6.097 4.291 0.2036 -0.0352 -0.2556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28811 9079SOL HW128809 4.912 6.188 4.320 -2.4402 -0.6444 -0.7633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28812 9079SOL HW228810 4.979 6.048 4.370 -1.7935 0.2464 0.9463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28813 9080SOL OW28811 5.184 5.608 4.447 -0.1981 0.1015 0.6536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28814 9080SOL HW128812 5.225 5.550 4.518 -0.2019 0.3765 0.8769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28815 9080SOL HW228813 5.112 5.664 4.486 0.4085 0.9134 0.6194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28816 9081SOL OW28814 3.792 6.253 4.350 0.2896 1.1494 -0.9785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28817 9081SOL HW128815 3.889 6.268 4.327 0.4774 1.7595 0.1646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28818 9081SOL HW228816 3.756 6.179 4.294 1.4931 0.7359 -1.2297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28819 9082SOL OW28817 3.875 6.313 5.691 -0.1539 0.4691 0.3330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28820 9082SOL HW128818 3.798 6.256 5.717 -0.2135 0.9123 1.1573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28821 9082SOL HW228819 3.890 6.307 5.593 -1.4007 0.5821 0.1262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28822 9083SOL OW28820 3.747 5.609 6.503 -0.5523 0.3124 0.2079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28823 9083SOL HW128821 3.748 5.533 6.569 -2.9858 -0.7151 -0.8179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28824 9083SOL HW228822 3.688 5.585 6.426 1.3379 1.9264 -1.8557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28825 9084SOL OW28823 3.376 5.856 6.191 0.7919 0.2582 0.5156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28826 9084SOL HW128824 3.416 5.947 6.180 0.1180 0.5088 0.0374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28827 9084SOL HW228825 3.278 5.860 6.170 0.9490 -0.7911 -0.5620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28828 9085SOL OW28826 4.041 6.742 6.951 -0.0578 0.4570 0.5098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28829 9085SOL HW128827 3.976 6.782 6.887 -0.2511 -0.8220 -0.1218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28830 9085SOL HW228828 4.127 6.793 6.948 0.1863 -0.0022 -1.3168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28831 9086SOL OW28829 5.407 6.930 6.332 -0.0987 -0.7535 0.3680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28832 9086SOL HW128830 5.454 6.880 6.405 0.5996 0.6992 0.9438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28833 9086SOL HW228831 5.310 6.937 6.354 0.3059 0.8007 1.8627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28834 9087SOL OW28832 4.797 6.355 6.072 -0.4654 0.5903 -0.2222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28835 9087SOL HW128833 4.883 6.383 6.029 -1.0412 0.1820 -1.7127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28836 9087SOL HW228834 4.811 6.344 6.170 1.6682 -1.2534 -0.6458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28837 9088SOL OW28835 5.573 6.090 5.839 0.3668 0.2645 -0.3031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28838 9088SOL HW128836 5.534 6.134 5.758 -1.1685 -0.6031 -0.0511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28839 9088SOL HW228837 5.657 6.042 5.813 0.8088 1.3832 -1.0295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28840 9089SOL OW28838 4.404 6.631 6.685 -0.0516 -0.2923 -0.0099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28841 9089SOL HW128839 4.458 6.673 6.758 1.3630 0.6240 -1.5233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28842 9089SOL HW228840 4.368 6.703 6.625 -2.0835 -0.9527 0.3355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28843 9090SOL OW28841 4.663 6.411 7.116 -0.4267 0.2441 0.5888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28844 9090SOL HW128842 4.675 6.377 7.210 2.4260 -1.0266 -0.1227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28845 9090SOL HW228843 4.573 6.383 7.082 -1.6153 0.9028 2.9614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28846 9091SOL OW28844 4.431 6.325 6.263 0.0796 -0.5870 -0.0489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28847 9091SOL HW128845 4.484 6.384 6.324 1.4795 -0.0926 -1.6862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28848 9091SOL HW228846 4.337 6.359 6.258 -0.1134 -0.7283 1.8977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28849 9092SOL OW28847 3.969 6.731 6.597 -0.5541 -0.4128 -0.1698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28850 9092SOL HW128848 3.902 6.764 6.530 -0.6309 0.0375 0.1251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28851 9092SOL HW228849 3.995 6.637 6.575 0.0432 0.0042 -1.3122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28852 9093SOL OW28850 5.054 6.842 6.806 0.6136 -0.0403 -0.0660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28853 9093SOL HW128851 5.115 6.889 6.870 0.1390 -1.2787 1.3533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28854 9093SOL HW228852 4.991 6.908 6.764 0.1612 0.6502 1.6348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28855 9094SOL OW28853 3.954 5.780 6.758 -0.1217 -0.1828 0.2346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28856 9094SOL HW128854 4.022 5.736 6.700 -0.0056 1.7733 -1.2008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28857 9094SOL HW228855 3.864 5.740 6.739 -0.0808 0.3841 -1.3068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28858 9095SOL OW28856 5.324 5.916 6.366 -0.6621 -0.5414 0.0860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28859 9095SOL HW128857 5.285 5.982 6.302 -0.8305 -0.7406 -0.0153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28860 9095SOL HW228858 5.251 5.874 6.419 -0.4699 0.1364 0.9080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28861 9096SOL OW28859 3.840 7.137 6.099 0.8494 0.3552 -0.8757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28862 9096SOL HW128860 3.874 7.216 6.150 -1.2715 1.4253 -1.0156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28863 9096SOL HW228861 3.826 7.060 6.162 0.6566 0.8563 -0.3029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28864 9097SOL OW28862 4.015 6.475 6.486 -0.4726 0.1353 -0.3847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28865 9097SOL HW128863 3.989 6.430 6.571 1.0333 0.4227 0.2523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28866 9097SOL HW228864 3.933 6.490 6.430 -1.4272 -0.4217 0.8133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28867 9098SOL OW28865 4.380 6.669 5.875 -0.2657 -0.1679 0.4367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28868 9098SOL HW128866 4.472 6.699 5.900 -0.5429 0.5281 0.6657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28869 9098SOL HW228867 4.363 6.577 5.911 -0.1920 0.2961 1.7081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28870 9099SOL OW28868 5.406 5.686 7.207 -0.0659 -0.3033 -0.0711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28871 9099SOL HW128869 5.396 5.740 7.124 -1.5315 -0.1575 0.1659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28872 9099SOL HW228870 5.457 5.737 7.275 1.6867 -0.6651 -1.0764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28873 9100SOL OW28871 3.855 6.157 6.095 0.1189 -0.1115 -0.1707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28874 9100SOL HW128872 3.844 6.059 6.080 1.1076 -0.5712 1.7342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28875 9100SOL HW228873 3.788 6.188 6.163 -0.8141 0.7569 -1.4484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28876 9101SOL OW28874 3.654 7.217 5.895 -0.4328 0.0481 -0.5998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28877 9101SOL HW128875 3.721 7.191 5.965 -0.3746 -0.7193 -0.9286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28878 9101SOL HW228876 3.681 7.304 5.853 0.1193 -0.0431 -0.4202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28879 9102SOL OW28877 5.507 6.495 6.128 0.2851 0.2625 0.0187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28880 9102SOL HW128878 5.552 6.417 6.084 1.6686 0.9595 0.1335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28881 9102SOL HW228879 5.504 6.572 6.064 1.8642 1.1231 0.8883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28882 9103SOL OW28880 5.476 6.692 5.935 0.0005 0.4558 -0.2273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28883 9103SOL HW128881 5.491 6.679 5.837 5.1375 -1.6948 0.5325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28884 9103SOL HW228882 5.497 6.787 5.960 1.2254 0.3818 -0.9136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28885 9104SOL OW28883 3.928 6.195 0.157 0.1790 -0.2563 -0.0492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28886 9104SOL HW128884 4.004 6.143 0.118 0.3236 0.2814 -0.4957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28887 9104SOL HW228885 3.855 6.203 0.089 -0.6143 -1.4112 0.6223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28888 9105SOL OW28886 4.324 6.681 6.303 -0.2507 -0.3703 0.6384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28889 9105SOL HW128887 4.283 6.590 6.307 -0.1869 -0.5193 -1.1538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28890 9105SOL HW228888 4.253 6.748 6.282 -0.2273 -0.0557 1.5378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28891 9106SOL OW28889 4.782 6.626 6.973 0.2231 -0.0478 -0.7338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28892 9106SOL HW128890 4.858 6.593 6.917 -0.5607 -1.0295 -1.2316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28893 9106SOL HW228891 4.758 6.557 7.041 -0.0601 0.3595 -0.4170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28894 9107SOL OW28892 4.428 5.616 6.051 0.7199 -0.4013 0.5982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28895 9107SOL HW128893 4.506 5.676 6.032 -0.0317 0.3096 -0.3477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28896 9107SOL HW228894 4.376 5.652 6.128 -0.8532 1.3742 -1.1603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28897 9108SOL OW28895 3.938 6.284 6.685 0.6533 0.1980 0.1601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28898 9108SOL HW128896 3.991 6.200 6.695 -0.6241 -0.6067 0.3194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28899 9108SOL HW228897 3.855 6.266 6.632 -0.4722 0.9752 1.5777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28900 9109SOL OW28898 5.493 6.642 5.684 -0.3244 -0.1001 0.5979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28901 9109SOL HW128899 5.393 6.645 5.685 -0.3238 0.0088 0.4538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28902 9109SOL HW228900 5.524 6.550 5.705 -0.4444 -0.0045 1.2091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28903 9110SOL OW28901 3.909 5.406 7.077 0.2093 -0.2785 0.4454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28904 9110SOL HW128902 3.945 5.497 7.100 0.5118 -0.7045 1.7480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28905 9110SOL HW228903 3.813 5.414 7.050 0.8947 0.7375 -2.0155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28906 9111SOL OW28904 5.123 6.836 6.349 -0.5677 0.5186 0.4257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28907 9111SOL HW128905 5.108 6.912 6.286 0.9964 1.4137 1.0682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28908 9111SOL HW228906 5.082 6.753 6.311 -0.0168 1.1005 -1.5684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28909 9112SOL OW28907 4.237 6.163 5.981 -0.5335 -0.1883 0.4296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28910 9112SOL HW128908 4.265 6.259 5.988 1.1308 -0.4626 -1.3738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28911 9112SOL HW228909 4.220 6.126 6.072 1.4222 1.1112 1.3899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28912 9113SOL OW28910 5.124 5.827 6.549 -0.0684 -0.0318 -0.0357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28913 9113SOL HW128911 5.037 5.782 6.530 -0.7793 0.7087 1.2672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28914 9113SOL HW228912 5.124 5.861 6.643 1.5968 0.0903 -0.0445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28915 9114SOL OW28913 5.519 7.157 5.947 0.4097 0.2419 0.2125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28916 9114SOL HW128914 5.514 7.081 6.012 0.0990 0.5976 0.6096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28917 9114SOL HW228915 5.482 7.240 5.990 0.2181 0.4824 -0.4133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28918 9115SOL OW28916 4.427 5.882 7.009 0.1311 -0.4855 -0.5160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28919 9115SOL HW128917 4.500 5.934 7.054 0.1786 1.4221 -2.6032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28920 9115SOL HW228918 4.463 5.840 6.926 -0.7895 -0.7412 -0.7968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28921 9116SOL OW28919 4.422 6.332 6.959 0.1280 -0.5265 0.0383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28922 9116SOL HW128920 4.398 6.345 6.862 -2.6502 -0.2459 0.6790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28923 9116SOL HW228921 4.406 6.417 7.009 -1.8954 -1.5700 1.3018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28924 9117SOL OW28922 4.783 5.863 6.653 0.4989 -0.2067 0.2103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28925 9117SOL HW128923 4.860 5.919 6.684 0.6666 -0.4616 0.2596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28926 9117SOL HW228924 4.813 5.802 6.579 0.6534 -1.1744 1.0502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28927 9118SOL OW28925 4.726 6.061 6.039 0.5714 0.0886 0.0620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28928 9118SOL HW128926 4.718 6.157 6.065 1.5050 0.1665 0.0743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28929 9118SOL HW228927 4.634 6.023 6.026 0.1401 0.6098 1.4014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28930 9119SOL OW28928 3.639 6.229 6.280 0.3381 0.2108 -0.1856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28931 9119SOL HW128929 3.573 6.183 6.221 0.9987 -1.6764 0.4599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28932 9119SOL HW228930 3.603 6.318 6.309 -1.8426 -0.6751 0.0190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28933 9120SOL OW28931 3.670 0.118 7.025 0.7157 -0.1072 0.0918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28934 9120SOL HW128932 3.651 0.033 7.072 2.4185 -1.0625 -0.8665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28935 9120SOL HW228933 3.623 0.118 6.936 2.4263 -1.0402 -0.8540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28936 9121SOL OW28934 4.608 5.806 5.727 0.4612 0.7655 -0.3850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28937 9121SOL HW128935 4.653 5.887 5.690 0.5969 0.4157 -0.9993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28938 9121SOL HW228936 4.611 5.732 5.659 2.9247 -0.7198 1.2076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28939 9122SOL OW28937 5.214 6.642 6.061 0.8811 -0.7034 -0.9131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28940 9122SOL HW128938 5.307 6.621 6.030 0.8340 -0.9431 -0.8878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28941 9122SOL HW228939 5.192 6.737 6.038 0.2396 -1.3323 -3.1216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28942 9123SOL OW28940 4.471 5.574 6.379 -0.3481 0.2815 -0.2156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28943 9123SOL HW128941 4.397 5.630 6.342 -0.1343 0.9058 0.2778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28944 9123SOL HW228942 4.500 5.507 6.310 2.0161 3.2644 -2.4451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28945 9124SOL OW28943 4.614 6.779 5.985 0.2895 0.3431 -0.0350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28946 9124SOL HW128944 4.602 6.705 6.051 1.2418 -0.0143 -0.2471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28947 9124SOL HW228945 4.629 6.865 6.034 0.9239 0.0919 0.2237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28948 9125SOL OW28946 4.089 7.167 6.338 -0.7171 -0.3835 0.2892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28949 9125SOL HW128947 4.092 7.108 6.419 0.0749 0.5588 0.9742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28950 9125SOL HW228948 4.021 7.239 6.352 -0.2564 0.0520 0.3248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28951 9126SOL OW28949 5.531 6.515 6.388 -0.2952 -1.5180 -0.0979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28952 9126SOL HW128950 5.539 6.508 6.288 1.0959 -0.6565 -0.0698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28953 9126SOL HW228951 5.458 6.455 6.420 -2.7208 0.2206 -1.9418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28954 9127SOL OW28952 4.788 7.016 6.959 0.0963 -0.4661 0.1099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28955 9127SOL HW128953 4.798 6.921 6.989 -0.6606 -0.6839 -0.2974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28956 9127SOL HW228954 4.841 7.032 6.876 -0.2207 -0.6838 -0.1339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28957 9128SOL OW28955 4.037 6.523 5.811 1.1125 0.4022 -0.1198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28958 9128SOL HW128956 4.112 6.532 5.746 0.2704 -0.4667 -1.2431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28959 9128SOL HW228957 3.968 6.461 5.774 1.1531 -1.0958 2.1295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28960 9129SOL OW28958 5.285 6.326 6.047 0.7699 -0.4141 -0.2547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28961 9129SOL HW128959 5.359 6.377 6.092 2.7966 -2.0890 -1.5182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28962 9129SOL HW228960 5.299 6.327 5.948 -1.6246 0.2194 -0.6414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28963 9130SOL OW28961 4.002 6.715 7.218 0.1283 0.3336 0.0496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28964 9130SOL HW128962 4.013 6.736 7.121 -2.0635 -1.9158 -0.8318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28965 9130SOL HW228963 4.021 6.618 7.232 0.0833 0.5616 1.8200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28966 9131SOL OW28964 3.712 5.619 6.820 0.1038 -0.5601 -0.0102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28967 9131SOL HW128965 3.685 5.710 6.849 0.5348 -0.0536 -1.1291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28968 9131SOL HW228966 3.704 5.555 6.897 -0.1819 0.4111 0.7843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28969 9132SOL OW28967 5.326 6.967 5.492 0.2317 -0.2250 0.1026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28970 9132SOL HW128968 5.339 7.012 5.404 0.4373 1.6807 1.0469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28971 9132SOL HW228969 5.242 6.999 5.535 1.0025 0.2078 1.3457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28972 9133SOL OW28970 5.190 5.784 6.166 -0.1011 0.3202 0.2784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28973 9133SOL HW128971 5.240 5.822 6.088 -0.2681 0.8129 0.4096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28974 9133SOL HW228972 5.245 5.796 6.249 0.6288 -1.3153 0.0612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28975 9134SOL OW28973 4.074 6.118 6.237 -0.4892 0.1539 0.0089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28976 9134SOL HW128974 4.045 6.023 6.252 1.3661 -0.7992 -1.9144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28977 9134SOL HW228975 4.004 6.166 6.184 -1.4540 -0.1064 1.0091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28978 9135SOL OW28976 4.265 5.644 5.805 -0.2861 0.3356 -0.2478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28979 9135SOL HW128977 4.307 5.653 5.895 0.1607 0.0408 -0.4233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28980 9135SOL HW228978 4.329 5.599 5.742 -1.1341 -0.8512 -0.3145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28981 9136SOL OW28979 4.327 5.562 7.067 -0.7231 0.4558 -0.3898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28982 9136SOL HW128980 4.412 5.517 7.095 -1.1045 0.1958 0.3697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28983 9136SOL HW228981 4.300 5.630 7.136 -1.1687 0.4857 -0.5878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28984 9137SOL OW28982 4.525 6.982 6.774 0.7767 0.2425 -0.6077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28985 9137SOL HW128983 4.549 6.897 6.821 1.1709 0.0724 -1.1136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28986 9137SOL HW228984 4.587 6.997 6.697 0.7545 1.0229 -0.4854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28987 9138SOL OW28985 5.067 6.074 7.004 -0.2084 -0.1727 -0.2897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28988 9138SOL HW128986 5.087 6.041 7.096 -0.3319 1.3079 0.3009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28989 9138SOL HW228987 5.104 6.166 6.993 1.1062 -0.8718 -2.2471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28990 9139SOL OW28988 4.355 6.856 6.503 -0.2351 -0.0554 -0.1591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28991 9139SOL HW128989 4.429 6.921 6.491 1.0565 -1.4483 -0.0810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28992 9139SOL HW228990 4.333 6.814 6.414 -1.0294 0.4439 -0.2061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28993 9140SOL OW28991 4.602 5.838 6.371 0.0946 -0.1464 0.2435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28994 9140SOL HW128992 4.536 5.873 6.305 0.4010 -0.1992 -0.0908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28995 9140SOL HW228993 4.583 5.742 6.390 1.6040 -0.9118 -1.7936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28996 9141SOL OW28994 4.283 5.745 6.255 0.5532 0.3621 0.2427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28997 9141SOL HW128995 4.190 5.745 6.220 0.5664 0.6887 0.2031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28998 9141SOL HW228996 4.320 5.839 6.253 -0.0489 0.7232 2.7803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
28999 9142SOL OW28997 5.229 6.678 5.694 -0.9500 0.3707 0.5778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29000 9142SOL HW128998 5.183 6.595 5.662 -0.2817 -0.4328 1.6508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29001 9142SOL HW228999 5.166 6.730 5.753 -1.2333 0.4373 0.2221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29002 9143SOL OW29000 4.067 5.461 5.875 -0.6327 0.0733 0.0511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29003 9143SOL HW129001 4.125 5.525 5.824 -0.9876 -0.4068 -0.9786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29004 9143SOL HW229002 4.115 5.431 5.957 -0.4748 1.6875 0.5888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29005 9144SOL OW29003 4.667 5.740 6.012 -0.3320 0.1303 -0.1083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29006 9144SOL HW129004 4.639 5.774 5.923 -1.8502 0.0837 0.3190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29007 9144SOL HW229005 4.759 5.773 6.034 0.5095 -0.7068 -2.1167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29008 9145SOL OW29006 4.779 6.287 6.885 -0.5636 -0.1545 -0.2047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29009 9145SOL HW129007 4.743 6.346 6.957 -0.5374 -1.8590 1.2639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29010 9145SOL HW229008 4.868 6.322 6.854 -0.3135 0.2993 0.9823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29011 9146SOL OW29009 4.823 7.249 6.406 -0.0704 -0.0669 0.1393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29012 9146SOL HW129010 4.780 7.271 6.318 -0.3006 -3.0568 -0.5883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29013 9146SOL HW229011 4.921 7.235 6.392 0.0606 0.4096 0.5637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29014 9147SOL OW29012 4.183 6.437 6.278 -0.4939 -0.1655 -0.9688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29015 9147SOL HW129013 4.129 6.408 6.356 0.1578 -0.3998 -0.5916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29016 9147SOL HW229014 4.128 6.431 6.194 -1.5509 1.1412 -0.4000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29017 9148SOL OW29015 4.729 6.020 5.617 0.0196 -0.6502 -0.1675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29018 9148SOL HW129016 4.651 6.079 5.634 -1.3358 -2.5186 0.4755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29019 9148SOL HW229017 4.794 6.027 5.693 1.1948 1.8545 -1.2928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29020 9149SOL OW29018 3.775 6.313 6.964 0.3250 -0.5344 0.5058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29021 9149SOL HW129019 3.819 6.394 6.925 -0.6814 -0.8316 -1.3500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29022 9149SOL HW229020 3.804 6.303 7.060 1.1463 1.5006 0.5353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29023 9150SOL OW29021 4.138 5.656 6.583 0.0520 0.0032 0.5262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29024 9150SOL HW129022 4.211 5.600 6.623 1.0727 1.2836 0.5380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29025 9150SOL HW229023 4.121 5.627 6.489 0.3337 -0.5489 0.6426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29026 9151SOL OW29024 4.413 5.970 6.212 0.2596 -0.6963 -0.1379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29027 9151SOL HW129025 4.419 6.058 6.259 -0.5743 -1.7728 2.1374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29028 9151SOL HW229026 4.438 5.981 6.116 1.1665 1.8035 0.3261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29029 9152SOL OW29027 4.824 5.548 6.218 1.0522 0.0130 -0.3691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29030 9152SOL HW129028 4.782 5.610 6.152 0.6725 1.3820 1.1037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29031 9152SOL HW229029 4.760 5.476 6.243 0.4837 0.6204 -0.0484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29032 9153SOL OW29030 5.024 6.605 6.257 -0.2973 -0.1071 -0.6172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29033 9153SOL HW129031 4.948 6.544 6.235 -0.9056 1.0538 -1.9074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29034 9153SOL HW229032 5.093 6.599 6.185 1.6628 -2.2988 1.2717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29035 9154SOL OW29033 5.347 6.329 6.413 -0.3230 -0.0945 0.5666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29036 9154SOL HW129034 5.276 6.287 6.357 -0.7900 1.1428 0.2008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29037 9154SOL HW229035 5.317 6.333 6.508 -1.3815 1.6972 0.1949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29038 9155SOL OW29036 5.647 6.259 6.015 0.3204 -0.1381 -0.5883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29039 9155SOL HW129037 5.667 6.203 6.095 0.0152 0.7840 0.1647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29040 9155SOL HW229038 5.613 6.202 5.941 0.4571 -0.9941 0.0022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29041 9156SOL OW29039 4.146 7.098 5.911 -0.0880 0.0004 -0.0363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29042 9156SOL HW129040 4.175 7.025 5.849 -0.6366 1.3424 -1.9455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29043 9156SOL HW229041 4.053 7.081 5.941 -0.4105 0.1695 -0.9116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29044 9157SOL OW29042 5.525 6.923 6.110 0.4398 0.0830 -0.2726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29045 9157SOL HW129043 5.613 6.879 6.128 0.3070 -1.0041 -2.0310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29046 9157SOL HW229044 5.460 6.899 6.182 0.9190 -1.0983 -0.2155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29047 9158SOL OW29045 4.992 6.242 5.786 0.4540 0.1859 0.1766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29048 9158SOL HW129046 5.003 6.151 5.825 3.5942 0.1142 -0.5591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29049 9158SOL HW229047 5.004 6.311 5.857 -0.5035 0.0520 0.4783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29050 9159SOL OW29048 4.073 5.844 5.901 -0.3081 -0.7699 0.5163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29051 9159SOL HW129049 4.158 5.802 5.870 0.7513 -0.3310 2.6430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29052 9159SOL HW229050 4.065 5.936 5.862 -0.4701 -1.2934 -0.7112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29053 9160SOL OW29051 5.442 6.670 7.078 0.5058 0.0558 -0.4619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29054 9160SOL HW129052 5.487 6.751 7.118 0.4679 -0.2498 0.2070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29055 9160SOL HW229053 5.406 6.694 6.987 -3.5922 2.1953 1.4645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29056 9161SOL OW29054 4.544 6.719 6.889 -0.0697 -0.0454 0.5807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29057 9161SOL HW129055 4.474 6.688 6.953 0.1990 1.2919 1.5703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29058 9161SOL HW229056 4.633 6.685 6.918 0.2226 1.5065 1.6550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29059 9162SOL OW29057 5.428 6.812 6.847 -0.1451 0.6687 -0.5726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29060 9162SOL HW129058 5.359 6.882 6.865 0.4212 0.6600 2.0448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29061 9162SOL HW229059 5.519 6.853 6.853 0.1472 0.0534 -0.7289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29062 9163SOL OW29060 4.655 7.087 6.540 -0.1431 -0.4078 0.0170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29063 9163SOL HW129061 4.578 7.151 6.529 0.1668 -0.0261 0.0184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29064 9163SOL HW229062 4.738 7.130 6.506 0.6196 0.3332 2.5446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29065 9164SOL OW29063 5.177 6.600 6.540 -0.1031 -0.1557 0.4479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29066 9164SOL HW129064 5.272 6.621 6.560 -0.0270 0.2470 -0.2790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29067 9164SOL HW229065 5.138 6.673 6.484 -0.9067 -0.2049 0.9361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29068 9165SOL OW29066 4.788 5.594 6.764 0.1480 -0.4503 -0.0405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29069 9165SOL HW129067 4.783 5.522 6.695 0.2118 -0.5073 0.0141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29070 9165SOL HW229068 4.795 5.683 6.720 0.3828 -0.5009 -0.1058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29071 9166SOL OW29069 4.388 6.388 6.006 -0.0767 0.3080 -0.2126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29072 9166SOL HW129070 4.421 6.359 6.095 -0.2840 0.3570 -0.1214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29073 9166SOL HW229071 4.467 6.415 5.949 0.2017 -1.2807 -0.6124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29074 9167SOL OW29072 4.105 6.045 6.768 -0.4950 -0.9350 -0.4303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29075 9167SOL HW129073 4.165 6.059 6.847 0.2952 -1.7347 -0.8675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29076 9167SOL HW229074 4.057 5.958 6.779 -0.6015 -0.9077 -0.6923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29077 9168SOL OW29075 4.809 6.005 6.930 -0.0105 0.1576 0.2526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29078 9168SOL HW129076 4.903 6.016 6.960 0.0649 1.5239 -0.4062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29079 9168SOL HW229077 4.777 6.090 6.887 -0.4288 -1.3199 -2.5977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29080 9169SOL OW29078 3.841 6.898 6.798 0.2613 0.1394 0.0757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29081 9169SOL HW129079 3.796 6.974 6.751 -0.0032 0.1627 0.3618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29082 9169SOL HW229080 3.874 6.832 6.731 -1.0277 -0.3459 -0.1044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29083 9170SOL OW29081 4.019 6.412 6.067 -0.1238 -0.4360 0.9489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29084 9170SOL HW129082 4.037 6.441 5.973 3.5671 0.5644 1.8285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29085 9170SOL HW229083 3.924 6.379 6.073 0.5950 -4.9985 -4.1757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29086 9171SOL OW29084 4.044 5.939 6.493 0.0343 0.4714 0.5625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29087 9171SOL HW129085 4.095 5.898 6.417 -0.0846 1.0830 0.1468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29088 9171SOL HW229086 4.106 5.953 6.570 -0.2337 -1.8955 1.2966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29089 9172SOL OW29087 5.032 6.989 6.101 -0.6494 0.5679 -0.4082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29090 9172SOL HW129088 5.075 7.076 6.076 1.3824 -0.2132 0.1882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29091 9172SOL HW229089 4.933 7.001 6.105 -0.4579 2.6955 -0.9058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29092 9173SOL OW29090 4.889 7.065 6.700 -0.1758 -0.2470 -0.0968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29093 9173SOL HW129091 4.955 7.042 6.629 -0.1282 0.9843 -0.4709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29094 9173SOL HW229092 4.797 7.057 6.664 -0.2259 -1.3206 0.2331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29095 9174SOL OW29093 5.230 6.104 6.199 -0.0697 -0.0343 0.6115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29096 9174SOL HW129094 5.148 6.103 6.256 -0.4530 -0.5596 0.0757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29097 9174SOL HW229095 5.251 6.198 6.171 -1.0221 0.0209 0.0286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29098 9175SOL OW29096 4.072 7.155 6.725 -0.5995 -0.1137 -0.5854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29099 9175SOL HW129097 4.075 7.090 6.649 -1.4379 -0.2562 -0.5113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29100 9175SOL HW229098 4.046 7.107 6.809 -0.6776 0.2237 -0.4136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29101 9176SOL OW29099 4.054 6.056 7.202 0.7099 0.0928 -0.1837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29102 9176SOL HW129100 4.126 6.104 7.153 1.6973 -0.2981 0.8431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29103 9176SOL HW229101 4.005 5.996 7.139 1.8301 -0.2606 -0.7362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29104 9177SOL OW29102 5.394 6.621 0.092 -0.4751 -0.9492 0.2528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29105 9177SOL HW129103 5.411 6.657 -0.000 0.1422 -0.7471 0.4458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29106 9177SOL HW229104 5.321 6.554 0.088 0.2869 -1.7678 -0.5829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29107 9178SOL OW29105 4.334 6.334 6.688 0.5317 -0.8600 0.2674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29108 9178SOL HW129106 4.318 6.431 6.675 -0.8383 -1.1749 -0.6478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29109 9178SOL HW229107 4.260 6.282 6.645 0.3943 -2.2607 2.0797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29110 9179SOL OW29108 4.845 6.321 6.344 -0.0045 -0.3135 -0.2117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29111 9179SOL HW129109 4.804 6.233 6.370 0.9827 -0.3515 1.3000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29112 9179SOL HW229110 4.900 6.356 6.419 0.0236 1.3814 -0.9835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29113 9180SOL OW29111 4.874 5.951 5.843 -0.5799 -0.0888 0.4123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29114 9180SOL HW129112 4.891 5.858 5.876 2.2388 0.7800 1.6683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29115 9180SOL HW229113 4.810 5.997 5.906 -0.3928 -0.5421 0.9461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29116 9181SOL OW29114 3.806 5.397 6.696 0.6532 -0.1964 -0.1709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29117 9181SOL HW129115 3.793 5.485 6.741 -0.5864 -0.3267 -0.2265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29118 9181SOL HW229116 3.862 5.338 6.753 0.6086 0.2588 0.3500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29119 9182SOL OW29117 3.750 6.801 6.476 -0.8854 -0.4304 -0.5577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29120 9182SOL HW129118 3.676 6.790 6.542 0.4969 1.8989 1.5743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29121 9182SOL HW229119 3.747 6.893 6.438 0.6745 -0.3813 -0.6492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29122 9183SOL OW29120 4.315 5.975 6.627 0.1443 0.2975 0.2356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29123 9183SOL HW129121 4.304 6.004 6.532 -0.1952 -2.2908 -0.5864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29124 9183SOL HW229122 4.236 6.004 6.680 -0.6928 -0.0706 -0.7861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29125 9184SOL OW29123 3.988 5.546 6.340 -0.4910 -0.1121 -0.2652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29126 9184SOL HW129124 3.920 5.617 6.358 -0.7749 -0.4937 0.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29127 9184SOL HW229125 3.977 5.471 6.406 -0.1301 -0.5243 -0.6646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29128 9185SOL OW29126 5.278 5.977 5.974 0.4517 0.1371 0.4223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29129 9185SOL HW129127 5.361 6.025 5.945 0.5083 0.7049 1.4687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29130 9185SOL HW229128 5.240 6.023 6.055 -0.5273 -0.4954 0.3302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29131 9186SOL OW29129 4.730 6.085 6.447 -0.1361 -0.4593 0.1603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29132 9186SOL HW129130 4.660 6.127 6.504 -0.9016 -1.5716 0.0809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29133 9186SOL HW229131 4.712 5.987 6.440 2.5189 -1.1770 1.7831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29134 9187SOL OW29132 5.603 7.055 6.958 0.1425 -0.4290 -0.0254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29135 9187SOL HW129133 5.623 7.093 6.868 2.3894 0.2305 0.6963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29136 9187SOL HW229134 5.679 6.996 6.987 -0.5188 -0.5943 1.4573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29137 9188SOL OW29135 5.223 5.778 5.828 -0.1545 0.2363 0.4221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29138 9188SOL HW129136 5.125 5.768 5.812 0.1775 -1.1493 -1.0053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29139 9188SOL HW229137 5.241 5.863 5.879 -1.8013 2.5163 -2.4662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29140 9189SOL OW29138 5.090 6.447 5.613 -0.1302 0.3775 0.6005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29141 9189SOL HW129139 5.064 6.360 5.655 -0.7337 0.8239 1.1842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29142 9189SOL HW229140 5.140 6.430 5.529 -0.5047 -0.5348 0.5496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29143 9190SOL OW29141 4.774 6.873 6.352 -0.0248 0.2409 0.1422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29144 9190SOL HW129142 4.756 6.779 6.381 -2.3088 0.8709 1.0056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29145 9190SOL HW229143 4.765 6.934 6.431 1.2252 1.2304 -0.4444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29146 9191SOL OW29144 3.733 6.178 6.532 -0.2828 -0.3810 0.0952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29147 9191SOL HW129145 3.710 6.199 6.437 2.1391 -0.2809 -0.5284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29148 9191SOL HW229146 3.741 6.079 6.542 0.7459 -0.3308 -0.1529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29149 9192SOL OW29147 3.787 5.896 6.455 -0.8480 -0.0276 -0.3500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29150 9192SOL HW129148 3.770 5.803 6.489 -0.3585 0.5843 1.6755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29151 9192SOL HW229149 3.883 5.919 6.467 -0.7818 0.4570 -1.6549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29152 9193SOL OW29150 4.761 5.718 7.008 0.0915 -0.1535 -0.2353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29153 9193SOL HW129151 4.773 5.652 6.934 -0.6851 -1.2660 0.5937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29154 9193SOL HW229152 4.763 5.811 6.970 -0.7566 -0.7022 -1.7141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29155 9194SOL OW29153 3.727 6.803 5.710 -0.2828 0.5794 -0.1527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29156 9194SOL HW129154 3.628 6.803 5.704 -0.2608 -0.5750 -0.8353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29157 9194SOL HW229155 3.766 6.782 5.620 0.5159 -1.1431 0.5386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29158 9195SOL OW29156 4.102 6.947 6.518 -0.0789 -0.0628 0.2770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29159 9195SOL HW129157 4.050 6.871 6.557 -1.3509 -0.9155 -2.8439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29160 9195SOL HW229158 4.196 6.917 6.499 -0.3562 -0.6316 -0.2198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29161 9196SOL OW29159 4.589 6.229 6.651 0.4287 0.4341 0.3778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29162 9196SOL HW129160 4.648 6.197 6.725 -1.2192 -1.2789 1.0387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29163 9196SOL HW229161 4.498 6.248 6.687 -0.6002 -1.0224 -1.2612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29164 9197SOL OW29162 3.768 6.078 6.851 0.2741 -0.1669 0.5620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29165 9197SOL HW129163 3.789 6.096 6.755 0.9799 1.3318 0.9783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29166 9197SOL HW229164 3.761 6.164 6.901 1.2239 -0.9349 2.1187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29167 9198SOL OW29165 4.479 5.993 5.930 -0.1700 -0.8353 0.0626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29168 9198SOL HW129166 4.503 5.954 5.841 0.6981 1.3328 -0.7194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29169 9198SOL HW229167 4.412 6.066 5.916 3.3887 2.8602 0.4253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29170 9199SOL OW29168 5.221 6.174 6.627 0.2912 0.5117 -0.3602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29171 9199SOL HW129169 5.183 6.082 6.640 0.6189 0.7799 4.0862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29172 9199SOL HW229170 5.318 6.173 6.655 0.6715 1.9539 -1.5664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29173 9200SOL OW29171 3.632 7.193 7.196 0.1561 -0.0553 -0.9729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29174 9200SOL HW129172 3.660 7.169 7.289 -1.4001 0.4817 -0.3318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29175 9200SOL HW229173 3.677 7.132 7.131 0.0033 -1.5573 0.2677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29176 9201SOL OW29174 4.535 5.813 6.763 -0.0562 0.1756 0.6360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29177 9201SOL HW129175 4.464 5.868 6.718 -0.0914 -0.7260 -0.4332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29178 9201SOL HW229176 4.622 5.827 6.716 -0.2510 -1.3699 -0.2615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29179 9202SOL OW29177 4.067 6.083 5.775 -0.1955 0.0211 -0.6394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29180 9202SOL HW129178 4.121 6.131 5.844 -0.0189 1.2954 -1.6299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29181 9202SOL HW229179 3.978 6.128 5.765 -1.1874 -1.5862 0.4138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29182 9203SOL OW29180 3.911 6.513 6.863 0.5982 0.0729 0.4423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29183 9203SOL HW129181 3.993 6.548 6.909 1.0332 1.1241 -1.0474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29184 9203SOL HW229182 3.933 6.429 6.813 0.3069 -0.6471 1.4925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29185 9204SOL OW29183 5.013 6.561 6.829 -0.0972 0.2727 0.1566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29186 9204SOL HW129184 5.035 6.655 6.805 1.1436 -0.0144 0.1054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29187 9204SOL HW229185 5.022 6.503 6.747 -1.0278 0.1330 0.1450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29188 9205SOL OW29186 5.300 6.331 5.783 -0.2848 0.2120 0.4694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29189 9205SOL HW129187 5.362 6.275 5.727 1.0671 2.0393 0.0349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29190 9205SOL HW229188 5.264 6.406 5.727 -0.7023 0.7740 1.4800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29191 9206SOL OW29189 5.311 7.198 6.464 0.1758 0.0408 -1.0172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29192 9206SOL HW129190 5.389 7.173 6.406 -0.3392 -0.4488 -1.5202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29193 9206SOL HW229191 5.344 7.229 6.553 0.9680 0.3977 -1.4229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29194 9207SOL OW29192 4.783 0.168 6.603 -0.3033 -0.8244 0.0456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29195 9207SOL HW129193 4.827 0.104 6.540 -0.4535 0.2714 -1.2083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29196 9207SOL HW229194 4.853 0.216 6.656 -0.0185 0.0070 -1.0465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29197 9208SOL OW29195 3.765 6.548 6.371 0.1285 0.0723 -0.0838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29198 9208SOL HW129196 3.762 6.640 6.409 -1.0865 -1.0311 2.8017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29199 9208SOL HW229197 3.673 6.507 6.376 1.4255 -2.9261 3.3777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29200 9209SOL OW29198 5.634 5.711 6.072 0.2683 -0.3930 0.0907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29201 9209SOL HW129199 5.689 5.696 5.991 -0.3126 -2.5030 0.0364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29202 9209SOL HW229200 5.568 5.637 6.083 -0.9536 0.8048 1.4708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29203 9210SOL OW29201 5.111 7.249 6.045 -0.1833 -0.0822 -0.3914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29204 9210SOL HW129202 5.197 7.292 6.019 0.1821 -0.4440 0.2322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29205 9210SOL HW229203 5.095 7.260 6.143 -0.2703 -1.0364 -0.2843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29206 9211SOL OW29204 5.035 6.448 5.948 0.0821 -0.5664 0.4278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29207 9211SOL HW129205 5.122 6.443 5.996 0.3012 -0.0917 0.0897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29208 9211SOL HW229206 5.028 6.537 5.901 -0.2313 -0.9174 -0.2011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29209 9212SOL OW29207 4.347 6.598 7.038 0.3660 -0.2504 -0.0743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29210 9212SOL HW129208 4.322 6.621 7.131 1.9248 -0.1436 0.3583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29211 9212SOL HW229209 4.280 6.635 6.974 -1.8464 -2.0454 1.0656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29212 9213SOL OW29210 4.383 7.212 5.841 -0.0204 -0.1657 0.4655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29213 9213SOL HW129211 4.417 7.259 5.922 -0.6694 -0.3659 0.8641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29214 9213SOL HW229212 4.306 7.154 5.866 -0.6792 0.3024 -0.4123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29215 9214SOL OW29213 5.465 5.589 6.327 0.2702 0.5068 -0.3799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29216 9214SOL HW129214 5.518 5.563 6.408 -3.2915 -2.0513 1.4158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29217 9214SOL HW229215 5.471 5.517 6.259 -0.4217 0.4315 -0.3697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29218 9215SOL OW29216 3.733 5.896 6.182 0.2599 -0.2894 -0.6188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29219 9215SOL HW129217 3.668 5.827 6.150 1.2483 -1.0542 -1.0375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29220 9215SOL HW229218 3.730 5.901 6.281 0.2115 -0.9681 -0.5798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29221 9216SOL OW29219 5.058 6.990 5.641 -0.5021 -0.2473 0.0028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29222 9216SOL HW129220 5.087 6.940 5.722 0.2082 0.2281 0.0436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29223 9216SOL HW229221 4.981 6.942 5.598 0.4216 -1.6175 -0.2033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29224 9217SOL OW29222 4.322 6.459 0.070 -0.1873 -0.0663 -0.5217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29225 9217SOL HW129223 4.379 6.487 0.147 0.9042 1.6399 -1.8798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29226 9217SOL HW229224 4.359 6.375 0.031 0.5933 0.2610 -0.5179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29227 9218SOL OW29225 4.612 6.364 5.857 0.1158 -0.3590 0.4182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29228 9218SOL HW129226 4.671 6.365 5.938 -1.4076 0.5712 1.5706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29229 9218SOL HW229227 4.648 6.427 5.789 0.7534 -0.2144 0.8813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29230 9219SOL OW29228 3.738 6.978 7.078 -0.2615 0.5828 0.6917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29231 9219SOL HW129229 3.713 6.910 7.147 0.6390 -0.2365 0.2516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29232 9219SOL HW229230 3.779 6.931 7.000 0.1580 1.6317 0.2665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29233 9220SOL OW29231 5.410 6.688 6.611 -0.2216 -1.2162 -0.1183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29234 9220SOL HW129232 5.407 6.725 6.704 -3.2292 -2.7438 0.5247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29235 9220SOL HW229233 5.492 6.633 6.598 0.7314 -0.1587 1.2721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29236 9221SOL OW29234 4.771 6.603 6.399 0.1836 0.7811 -0.0566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29237 9221SOL HW129235 4.724 6.517 6.423 -0.7560 1.3259 0.1014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29238 9221SOL HW229236 4.870 6.587 6.397 0.0667 -0.1519 0.6239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29239 9222SOL OW29237 4.883 5.700 6.446 0.1094 -0.1179 -0.6684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29240 9222SOL HW129238 4.843 5.713 6.355 -0.0260 0.7928 -0.4894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29241 9222SOL HW229239 4.866 5.606 6.477 0.6098 -0.5948 -1.7910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29242 9223SOL OW29240 4.155 6.860 6.191 0.1727 0.2509 -0.3870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29243 9223SOL HW129241 4.152 6.831 6.095 -1.1468 0.3369 -0.3916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29244 9223SOL HW229242 4.118 6.953 6.199 2.2363 1.0833 -0.0651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29245 9224SOL OW29243 5.458 5.815 6.959 -0.1318 -0.0803 -0.7759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29246 9224SOL HW129244 5.529 5.865 6.909 -2.1124 1.3016 -2.3618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29247 9224SOL HW229245 5.421 5.743 6.901 0.2979 -1.1612 0.2475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29248 9225SOL OW29246 3.878 7.074 5.658 0.7383 0.1140 -0.0433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29249 9225SOL HW129247 3.840 6.985 5.680 1.4309 -0.3257 -0.5706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29250 9225SOL HW229248 3.827 7.146 5.706 0.0074 -0.5397 0.1680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29251 9226SOL OW29249 3.625 6.776 7.227 -0.2494 -0.0107 -0.1512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29252 9226SOL HW129250 3.611 6.681 7.199 -0.5503 -0.7535 2.3108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29253 9226SOL HW229251 3.545 6.809 7.278 0.0680 1.3991 -0.5234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29254 9227SOL OW29252 4.380 5.612 6.793 0.3039 0.1263 -0.1345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29255 9227SOL HW129253 4.440 5.690 6.779 -0.0046 0.3115 -0.4457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29256 9227SOL HW229254 4.349 5.610 6.888 1.3940 -0.4002 0.2239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29257 9228SOL OW29255 3.709 5.872 5.566 -0.5377 -0.2237 0.0606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29258 9228SOL HW129256 3.650 5.820 5.504 -0.8714 0.2483 -0.0228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29259 9228SOL HW229257 3.675 5.862 5.660 -1.7025 1.3096 -0.1664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29260 9229SOL OW29258 5.157 6.343 6.980 -0.3098 -0.8509 0.5210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29261 9229SOL HW129259 5.107 6.409 6.925 1.1361 0.1380 0.3593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29262 9229SOL HW229260 5.252 6.338 6.950 -0.6133 -3.9302 -0.3021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29263 9230SOL OW29261 3.876 5.643 5.891 0.3303 0.5975 -0.1153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29264 9230SOL HW129262 3.938 5.721 5.882 0.7400 0.2970 0.0594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29265 9230SOL HW229263 3.930 5.559 5.898 -0.0325 0.4924 1.9908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29266 9231SOL OW29264 5.056 6.798 5.879 -0.3576 0.2231 0.3191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29267 9231SOL HW129265 4.969 6.779 5.833 -0.6977 2.7014 -0.2366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29268 9231SOL HW229266 5.038 6.846 5.965 0.4528 0.7764 0.1881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29269 9232SOL OW29267 4.272 6.113 7.009 0.1532 -0.1906 0.1890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29270 9232SOL HW129268 4.337 6.182 6.976 -1.1994 0.1578 -1.9622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29271 9232SOL HW229269 4.317 6.024 7.014 0.5932 -0.1826 -2.3068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29272 9233SOL OW29270 5.083 0.021 6.319 0.6484 -0.5660 -0.2841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29273 9233SOL HW129271 5.048 0.108 6.353 -0.6868 -0.5829 -1.5145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29274 9233SOL HW229272 5.163 -0.006 6.372 1.7743 1.9481 -0.5563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29275 9234SOL OW29273 4.270 5.795 7.200 0.2614 0.1641 -0.0325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29276 9234SOL HW129274 4.249 5.874 7.258 -3.4030 0.4359 -1.4666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29277 9234SOL HW229275 4.318 5.825 7.118 0.9000 0.5088 0.4543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29278 9235SOL OW29276 3.964 7.142 6.971 -0.2786 -0.2472 0.2426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29279 9235SOL HW129277 3.928 7.213 6.910 -1.0485 1.1840 2.2781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29280 9235SOL HW229278 3.889 7.084 7.003 0.1105 -0.9278 -0.0321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29281 9236SOL OW29279 5.014 6.360 6.568 -0.3536 -0.2669 0.0577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29282 9236SOL HW129280 5.071 6.278 6.572 -1.0573 -0.7904 -0.4048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29283 9236SOL HW229281 5.070 6.439 6.546 0.0593 -0.9138 -1.3132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29284 9237SOL OW29282 4.918 5.831 6.144 0.0237 0.9164 -0.1906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29285 9237SOL HW129283 5.012 5.809 6.121 0.1395 0.2431 0.8532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29286 9237SOL HW229284 4.895 5.922 6.110 0.5495 0.4812 -1.8066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29287 9238SOL OW29285 4.258 6.160 6.436 0.4350 -0.1273 0.4527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29288 9238SOL HW129286 4.318 6.227 6.392 3.0911 -2.4936 0.1721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29289 9238SOL HW229287 4.176 6.147 6.381 -0.1578 2.7698 0.5049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29290 9239SOL OW29288 5.435 6.379 6.946 0.2157 -0.4552 -0.0192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29291 9239SOL HW129289 5.445 6.477 6.930 -0.7846 -0.4973 -0.9661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29292 9239SOL HW229290 5.459 6.328 6.863 0.2679 -0.9823 0.3133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29293 9240SOL OW29291 4.499 7.123 5.588 0.1705 -0.1299 -0.4052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29294 9240SOL HW129292 4.482 7.156 5.681 -0.9909 -1.1786 -0.2195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29295 9240SOL HW229293 4.430 7.055 5.564 0.8230 -0.3196 -1.8198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29296 9241SOL OW29294 4.531 6.448 6.475 -0.5427 -0.0503 0.5472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29297 9241SOL HW129295 4.545 6.371 6.538 0.0634 0.1379 0.6515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29298 9241SOL HW229296 4.505 6.529 6.527 -0.7895 -0.0862 0.4785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29299 9242SOL OW29297 4.819 6.685 5.823 0.0610 -0.0616 -0.2159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29300 9242SOL HW129298 4.742 6.698 5.886 -0.2723 -1.0372 -0.3962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29301 9242SOL HW229299 4.792 6.620 5.751 1.2986 -1.0165 0.1500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29302 9243SOL OW29300 5.543 7.167 6.326 0.0178 -0.2256 -0.0652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29303 9243SOL HW129301 5.513 7.087 6.274 0.7583 -0.7295 0.2688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29304 9243SOL HW229302 5.612 7.139 6.394 -0.0924 0.6092 0.4030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29305 9244SOL OW29303 3.810 6.766 6.149 -0.2811 -0.0028 -0.5448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29306 9244SOL HW129304 3.833 6.680 6.195 0.3474 -0.1174 -1.0656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29307 9244SOL HW229305 3.880 6.788 6.082 -1.0233 0.3442 -1.2175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29308 9245SOL OW29306 4.286 6.734 0.004 -0.4780 0.1331 -0.4572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29309 9245SOL HW129307 4.202 6.701 0.048 0.9741 0.4620 2.8878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29310 9245SOL HW229308 4.296 6.832 0.022 -1.3691 1.1039 -4.4599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29311 9246SOL OW29309 5.327 5.612 6.813 -0.4490 0.4468 0.6612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29312 9246SOL HW129310 5.277 5.531 6.842 -1.0576 0.0358 -1.3597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29313 9246SOL HW229311 5.368 5.596 6.723 -0.7946 2.4476 0.0851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29314 9247SOL OW29312 3.993 5.845 6.177 -0.3612 -0.6313 0.7963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29315 9247SOL HW129313 4.020 5.839 6.081 0.1141 -2.3831 0.9995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29316 9247SOL HW229314 3.896 5.871 6.183 -0.5668 -1.1074 -0.1916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29317 9248SOL OW29315 5.091 7.015 6.546 0.7002 0.1755 0.0244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29318 9248SOL HW129316 5.099 6.938 6.483 -0.2427 0.5159 -0.5356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29319 9248SOL HW229317 5.166 7.079 6.530 -0.2369 0.9049 -1.6893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29320 9249SOL OW29318 3.934 5.891 7.022 -0.4599 -0.5937 0.0071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29321 9249SOL HW129319 3.954 5.851 6.932 1.7087 1.4421 -0.5231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29322 9249SOL HW229320 3.856 5.952 7.014 -1.0925 -1.4076 -0.1693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29323 9250SOL OW29321 4.754 7.016 6.128 0.2586 0.7951 -0.1536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29324 9250SOL HW129322 4.732 7.110 6.153 0.4336 0.5488 0.9901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29325 9250SOL HW229323 4.763 6.961 6.211 -1.5216 -0.6255 -0.8241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29326 9251SOL OW29324 5.189 5.907 6.798 0.9039 -0.1703 -0.1373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29327 9251SOL HW129325 5.246 5.833 6.834 -1.5188 -2.6363 -0.9924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29328 9251SOL HW229326 5.147 5.957 6.874 2.4337 0.2684 0.4549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29329 9252SOL OW29327 4.748 5.466 6.523 0.1980 -0.3798 0.0026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29330 9252SOL HW129328 4.658 5.483 6.482 0.7100 1.0742 -0.6144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29331 9252SOL HW229329 4.800 5.404 6.464 -0.0225 -0.3709 -0.2057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29332 9253SOL OW29330 4.565 6.641 6.212 0.2607 0.5859 0.4486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29333 9253SOL HW129331 4.473 6.665 6.241 0.0684 -1.4913 1.7167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29334 9253SOL HW229332 4.626 6.638 6.291 0.4710 -1.9975 0.2695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29335 9254SOL OW29333 4.262 6.888 6.994 0.1750 0.0256 0.1979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29336 9254SOL HW129334 4.358 6.860 7.000 0.9529 1.2495 -3.5546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29337 9254SOL HW229335 4.251 6.977 7.038 1.7290 1.5641 -2.2758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29338 9255SOL OW29336 4.950 5.708 5.795 0.2684 -0.6761 -0.0065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29339 9255SOL HW129337 4.927 5.769 5.719 -3.1392 0.8655 1.9641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29340 9255SOL HW229338 4.895 5.625 5.789 -0.5017 -0.2692 0.9788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29341 9256SOL OW29339 4.997 6.034 6.317 0.0428 0.0877 -0.0027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29342 9256SOL HW129340 4.930 6.054 6.389 2.0364 -1.1222 2.3320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29343 9256SOL HW229341 4.988 5.939 6.288 -1.3787 0.8067 -2.1803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29344 9257SOL OW29342 5.301 5.623 6.525 0.3595 0.4039 -0.4258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29345 9257SOL HW129343 5.346 5.621 6.436 1.8798 1.7738 0.2558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29346 9257SOL HW229344 5.232 5.696 6.526 -0.5559 -0.4337 -0.8526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29347 9258SOL OW29345 3.941 6.760 5.898 -0.5197 -0.2455 0.0602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29348 9258SOL HW129346 3.991 6.681 5.862 1.5136 1.8797 -2.2078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29349 9258SOL HW229347 3.858 6.775 5.843 -1.3416 -1.2088 1.0035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29350 9259SOL OW29348 5.588 0.538 0.071 0.1034 0.5600 -0.1141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29351 9259SOL HW129349 5.506 0.570 0.024 0.0464 0.6342 0.0347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29352 9259SOL HW229350 5.633 0.616 0.115 -0.8541 0.2209 1.5214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29353 9260SOL OW29351 5.632 0.257 1.050 0.1214 0.4067 0.0617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29354 9260SOL HW129352 5.712 0.218 1.096 -0.0646 -1.5349 -1.1422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29355 9260SOL HW229353 5.554 0.194 1.059 -1.3296 2.2445 1.2001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29356 9261SOL OW29354 5.584 0.262 0.522 0.4621 -0.3880 0.0503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29357 9261SOL HW129355 5.525 0.188 0.554 1.4662 -1.3460 -0.2263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29358 9261SOL HW229356 5.596 0.254 0.423 0.7222 0.0417 0.0448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29359 9262SOL OW29357 5.986 1.273 1.255 -0.5181 -0.1763 -0.1211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29360 9262SOL HW129358 5.895 1.245 1.285 -0.4217 -1.2463 -0.7788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29361 9262SOL HW229359 5.978 1.341 1.183 -0.7788 0.3714 0.4175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29362 9263SOL OW29360 7.087 1.407 0.577 0.0554 0.4583 -0.6163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29363 9263SOL HW129361 7.081 1.366 0.668 0.4479 -1.4467 -1.3929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29364 9263SOL HW229362 7.011 1.471 0.564 -0.5655 0.0274 0.6841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29365 9264SOL OW29363 6.742 0.564 0.864 0.2870 0.1715 -0.0923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29366 9264SOL HW129364 6.766 0.486 0.806 0.7543 -0.3553 0.7933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29367 9264SOL HW229365 6.643 0.571 0.873 0.2668 -0.9756 0.6916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29368 9265SOL OW29366 7.224 0.624 0.126 0.1250 0.2588 0.5373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29369 9265SOL HW129367 7.192 0.676 0.047 1.2053 -1.3746 -1.0629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29370 9265SOL HW229368 7.152 0.564 0.159 0.4860 -1.1120 -1.0500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29371 9266SOL OW29369 6.184 1.173 1.115 0.4201 0.4583 0.6788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29372 9266SOL HW129370 6.119 1.207 1.182 0.1370 -0.0969 0.6985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29373 9266SOL HW229371 6.229 1.249 1.069 1.3585 0.8433 2.2001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29374 9267SOL OW29372 6.474 0.771 1.870 -0.5184 -0.5722 0.0029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29375 9267SOL HW129373 6.507 0.865 1.870 0.9588 -1.0566 0.2654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29376 9267SOL HW229374 6.407 0.758 1.797 0.3762 0.3061 -0.9855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29377 9268SOL OW29375 6.019 0.981 0.680 -0.1535 0.2168 0.2036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29378 9268SOL HW129376 6.099 0.955 0.735 -0.6240 -0.6897 0.4782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29379 9268SOL HW229377 5.975 1.060 0.721 1.1294 1.3141 -0.4701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29380 9269SOL OW29378 6.192 0.971 1.719 0.7184 -0.8904 0.6218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29381 9269SOL HW129379 6.225 0.932 1.633 -0.7597 -0.4417 -0.1924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29382 9269SOL HW229380 6.207 1.070 1.719 -2.4128 -0.2840 -0.7599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29383 9270SOL OW29381 5.916 1.454 1.060 0.1213 -0.2546 0.1176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29384 9270SOL HW129382 5.833 1.423 1.013 -0.0828 0.4994 -0.0362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29385 9270SOL HW229383 5.970 1.510 0.998 -0.3511 1.0975 0.8898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29386 9271SOL OW29384 7.046 1.459 1.506 0.0128 -0.1533 -0.4309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29387 9271SOL HW129385 7.115 1.493 1.569 -0.9133 -0.3426 0.7273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29388 9271SOL HW229386 6.982 1.532 1.484 -0.4407 -0.4288 -0.0606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29389 9272SOL OW29387 6.050 0.357 1.527 0.3305 -0.0826 -0.3770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29390 9272SOL HW129388 6.096 0.298 1.593 -0.5737 1.5316 1.7770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29391 9272SOL HW229389 5.962 0.315 1.502 0.5598 -0.5736 -0.3803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29392 9273SOL OW29390 5.805 1.815 0.488 1.0879 0.0540 -0.7779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29393 9273SOL HW129391 5.764 1.874 0.558 0.7472 -2.1423 0.9691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29394 9273SOL HW229392 5.903 1.836 0.481 0.7897 1.5275 -1.0105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29395 9274SOL OW29393 6.642 1.337 1.625 0.6985 0.2618 0.7373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29396 9274SOL HW129394 6.732 1.295 1.638 0.7152 -0.0087 -0.2107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29397 9274SOL HW229395 6.571 1.269 1.641 0.7433 -0.4590 -1.7949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29398 9275SOL OW29396 5.743 1.582 0.694 0.2433 -0.2848 -0.6301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29399 9275SOL HW129397 5.745 1.662 0.634 -0.5888 -0.6362 -1.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29400 9275SOL HW229398 5.715 1.610 0.786 0.4542 0.0837 -0.6762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29401 9276SOL OW29399 5.647 0.967 0.905 -0.7012 -0.4103 0.1169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29402 9276SOL HW129400 5.613 0.877 0.932 -0.9091 -0.5945 -0.7328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29403 9276SOL HW229401 5.625 1.034 0.976 -0.0342 -1.1294 1.0281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29404 9277SOL OW29402 6.119 1.848 1.494 0.3954 0.1916 0.2037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29405 9277SOL HW129403 6.103 1.805 1.583 -1.0038 -0.2664 -0.2442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29406 9277SOL HW229404 6.149 1.943 1.508 -2.0361 0.8903 1.2007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29407 9278SOL OW29405 5.915 0.947 0.199 0.0315 -0.1303 -0.0998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29408 9278SOL HW129406 5.954 0.937 0.107 0.6579 -0.0379 0.1498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29409 9278SOL HW229407 5.988 0.937 0.267 -0.1193 1.4435 0.3308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29410 9279SOL OW29408 6.876 7.154 1.648 -0.2910 0.3219 -0.6704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29411 9279SOL HW129409 6.872 7.183 1.552 -1.7999 -1.3669 -1.1660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29412 9279SOL HW229410 6.878 7.235 1.707 -2.4319 1.4723 -2.0380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29413 9280SOL OW29411 5.486 0.527 0.580 -0.0077 -0.1946 -0.4944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29414 9280SOL HW129412 5.506 0.431 0.565 -2.5274 -0.6556 -1.5295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29415 9280SOL HW229413 5.431 0.537 0.663 -0.2327 0.2536 -0.6913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29416 9281SOL OW29414 5.476 1.391 0.143 -0.0809 -0.4685 -0.1451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29417 9281SOL HW129415 5.557 1.340 0.113 -0.1889 -1.0507 0.5231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29418 9281SOL HW229416 5.459 1.373 0.240 -1.8224 -1.4832 -0.5905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29419 9282SOL OW29417 5.523 0.702 1.632 -0.4561 0.8124 0.4849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29420 9282SOL HW129418 5.497 0.751 1.548 0.1876 -0.7883 -0.6919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29421 9282SOL HW229419 5.478 0.613 1.635 0.0334 0.5764 1.5243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29422 9283SOL OW29420 6.096 1.305 0.814 -0.1885 -0.4323 -0.0476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29423 9283SOL HW129421 6.010 1.264 0.841 -0.3150 0.2953 0.6941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29424 9283SOL HW229422 6.112 1.288 0.716 -2.0233 0.9075 -0.6329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29425 9284SOL OW29423 6.620 1.161 1.374 -0.0168 -0.1566 -0.1803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29426 9284SOL HW129424 6.680 1.081 1.372 0.9033 0.5348 -1.4996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29427 9284SOL HW229425 6.669 1.238 1.416 -1.4685 -0.6679 2.6798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29428 9285SOL OW29426 6.421 0.088 0.538 0.0218 -0.0231 0.6186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29429 9285SOL HW129427 6.509 0.088 0.491 1.0354 0.0693 2.4627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29430 9285SOL HW229428 6.353 0.044 0.479 1.1921 0.2342 -0.9908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29431 9286SOL OW29429 5.601 0.871 1.316 -0.4224 -0.3986 -0.3200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29432 9286SOL HW129430 5.690 0.828 1.300 -0.0347 0.8841 -2.0209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29433 9286SOL HW229431 5.531 0.824 1.262 -0.2303 0.2610 -1.1760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29434 9287SOL OW29432 7.130 0.943 0.132 -0.2412 -0.2044 -0.3690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29435 9287SOL HW129433 7.101 0.891 0.213 0.7115 0.6153 0.5331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29436 9287SOL HW229434 7.193 1.015 0.160 -0.3818 0.5004 -1.7854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29437 9288SOL OW29435 6.889 1.698 1.462 0.0917 -0.0117 -0.4213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29438 9288SOL HW129436 6.886 1.740 1.371 0.4775 2.4466 0.6255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29439 9288SOL HW229437 6.796 1.691 1.498 0.0283 0.0250 -0.5751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29440 9289SOL OW29438 5.695 0.412 1.666 0.3572 0.0584 0.1988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29441 9289SOL HW129439 5.721 0.498 1.710 0.6613 2.1522 -3.7147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29442 9289SOL HW229440 5.602 0.418 1.632 0.5627 -0.9568 -0.5961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29443 9290SOL OW29441 7.054 1.364 0.852 -0.2540 0.0322 -0.7603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29444 9290SOL HW129442 7.111 1.413 0.918 -0.5327 0.2597 -0.6882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29445 9290SOL HW229443 7.082 1.268 0.850 1.0235 0.3914 -1.6996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29446 9291SOL OW29444 0.051 1.681 0.931 0.2128 -0.2840 -0.4702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29447 9291SOL HW129445 0.032 1.596 0.981 -1.1753 -0.8635 -1.8904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29448 9291SOL HW229446 0.115 1.662 0.857 -0.5265 -0.2122 -1.1308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29449 9292SOL OW29447 6.028 0.613 0.409 -0.0113 0.0606 -0.0232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29450 9292SOL HW129448 6.040 0.712 0.402 0.2536 0.0160 -0.2216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29451 9292SOL HW229449 5.932 0.592 0.430 0.1702 0.4108 1.2609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29452 9293SOL OW29450 6.476 0.128 1.070 -0.1119 0.1077 -0.2039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29453 9293SOL HW129451 6.528 0.046 1.046 0.3253 0.3812 -0.2036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29454 9293SOL HW229452 6.531 0.186 1.129 0.0590 0.9777 -1.1846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29455 9294SOL OW29453 6.966 1.698 0.266 -0.0047 -0.3624 -0.2353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29456 9294SOL HW129454 7.031 1.721 0.193 -1.5371 1.3805 -1.1208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29457 9294SOL HW229455 6.914 1.617 0.239 -0.5737 0.2792 -1.1081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29458 9295SOL OW29456 6.430 0.462 1.532 -0.3507 -0.0562 -0.0748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29459 9295SOL HW129457 6.406 0.394 1.601 0.0557 -1.1769 -0.9974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29460 9295SOL HW229458 6.358 0.465 1.462 0.8475 -1.5290 -1.4544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29461 9296SOL OW29459 7.049 0.793 2.049 0.3862 0.2744 -0.0212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29462 9296SOL HW129460 6.957 0.765 2.078 0.4421 0.7943 0.7037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29463 9296SOL HW229461 7.077 0.740 1.969 -0.2718 -0.3668 0.1651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29464 9297SOL OW29462 6.378 0.922 1.518 0.0670 0.3043 0.5033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29465 9297SOL HW129463 6.454 0.865 1.485 -1.6731 -2.6668 1.2837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29466 9297SOL HW229464 6.329 0.960 1.441 1.4625 1.0786 -0.0358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29467 9298SOL OW29465 6.284 0.174 1.411 -0.2961 0.3298 -0.0148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29468 9298SOL HW129466 6.194 0.137 1.434 -0.7107 1.0189 -0.4974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29469 9298SOL HW229467 6.276 0.271 1.389 0.9860 1.1420 2.6777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29470 9299SOL OW29468 6.464 0.702 0.601 0.1143 0.2394 -0.0255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29471 9299SOL HW129469 6.472 0.704 0.701 1.7133 -1.2187 -0.0837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29472 9299SOL HW229470 6.404 0.627 0.573 -1.0410 1.1768 -0.1770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29473 9300SOL OW29471 5.347 0.664 0.769 -0.0801 0.1005 0.4400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29474 9300SOL HW129472 5.417 0.681 0.839 -0.4482 -0.1011 0.8595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29475 9300SOL HW229473 5.301 0.749 0.746 -0.1911 0.1091 0.6936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29476 9301SOL OW29474 5.551 2.133 1.747 0.2537 0.6017 -0.2729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29477 9301SOL HW129475 5.570 2.038 1.771 0.5682 1.0221 1.3034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29478 9301SOL HW229476 5.453 2.146 1.735 0.3729 -0.4773 -3.3025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29479 9302SOL OW29477 6.282 0.586 0.135 0.2637 -0.2687 -0.1425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29480 9302SOL HW129478 6.373 0.626 0.139 0.1445 -0.0757 1.2544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29481 9302SOL HW229479 6.286 0.489 0.158 -0.1277 0.2479 2.3841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29482 9303SOL OW29480 7.006 0.633 1.836 -0.2483 -0.0392 -0.3051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29483 9303SOL HW129481 6.910 0.616 1.860 -0.3485 0.5237 -0.2775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29484 9303SOL HW229482 7.024 0.597 1.745 -0.6351 0.3179 -0.5287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29485 9304SOL OW29483 7.010 1.093 0.495 -0.2117 0.0565 0.2242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29486 9304SOL HW129484 7.098 1.056 0.526 0.7728 1.2105 -1.1109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29487 9304SOL HW229485 7.025 1.160 0.423 -2.3004 -1.2329 -1.5512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29488 9305SOL OW29486 5.952 0.298 0.757 -0.3018 0.3343 -0.0324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29489 9305SOL HW129487 5.931 0.395 0.774 -0.5998 0.5361 -1.4303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29490 9305SOL HW229488 6.043 0.291 0.716 -1.1552 0.2491 -1.9911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29491 9306SOL OW29489 6.484 1.530 0.521 -0.3063 0.2363 0.4266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29492 9306SOL HW129490 6.503 1.602 0.587 -0.7802 0.6961 0.0702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29493 9306SOL HW229491 6.559 1.464 0.520 1.9503 2.6275 -1.8316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29494 9307SOL OW29492 5.843 1.812 0.922 -0.4669 0.0277 -0.1838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29495 9307SOL HW129493 5.904 1.733 0.914 -0.0048 0.0980 2.0975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29496 9307SOL HW229494 5.897 1.893 0.944 -1.3743 -0.0439 2.5751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29497 9308SOL OW29495 0.174 1.122 0.968 -0.2074 -0.4282 -0.3450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29498 9308SOL HW129496 0.094 1.126 0.909 1.3064 0.0940 -2.5057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29499 9308SOL HW229497 0.186 1.029 1.002 -1.2697 -0.6798 -0.6255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29500 9309SOL OW29498 6.655 1.614 1.539 0.0414 0.2579 0.7488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29501 9309SOL HW129499 6.646 1.516 1.556 0.7815 0.0610 0.0426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29502 9309SOL HW229500 6.576 1.661 1.579 -0.6498 -0.6803 0.5443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29503 9310SOL OW29501 5.707 0.762 0.217 0.1919 0.3672 -0.0574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29504 9310SOL HW129502 5.777 0.831 0.198 0.3159 -0.0472 -1.1689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29505 9310SOL HW229503 5.716 0.732 0.312 0.2298 1.7538 0.3996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29506 9311SOL OW29504 7.076 0.798 0.758 0.0763 -0.1411 0.1343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29507 9311SOL HW129505 7.064 0.724 0.692 0.3354 -1.6805 1.7061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29508 9311SOL HW229506 7.142 0.864 0.723 0.7078 -1.2572 -0.8634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29509 9312SOL OW29507 5.815 1.551 1.597 0.1225 0.6424 0.6490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29510 9312SOL HW129508 5.831 1.551 1.498 -0.2122 1.2450 0.5912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29511 9312SOL HW229509 5.793 1.458 1.627 1.8012 0.1307 0.4260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29512 9313SOL OW29510 6.425 1.531 0.264 0.0982 -0.4975 -0.4461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29513 9313SOL HW129511 6.343 1.475 0.271 -0.3791 0.1338 -0.8562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29514 9313SOL HW229512 6.457 1.556 0.356 -1.1168 0.5886 -0.2919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29515 9314SOL OW29513 5.789 0.253 1.410 0.3647 0.5507 0.9727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29516 9314SOL HW129514 5.781 0.353 1.414 -0.0482 0.5279 0.7816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29517 9314SOL HW229515 5.712 0.212 1.460 0.5171 0.3267 1.0251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29518 9315SOL OW29516 6.077 1.736 0.448 0.2889 -0.2268 0.6059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29519 9315SOL HW129517 6.129 1.820 0.457 -0.5374 0.2185 1.4591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29520 9315SOL HW229518 6.128 1.661 0.491 -0.2298 0.4220 2.4633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29521 9316SOL OW29519 6.849 0.073 0.192 -0.2218 -0.0532 -0.8225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29522 9316SOL HW129520 6.926 0.011 0.179 -1.3333 -1.2890 -1.7042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29523 9316SOL HW229521 6.763 0.023 0.185 -1.1554 1.4837 -0.9009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29524 9317SOL OW29522 5.788 1.861 1.243 0.1009 -0.0060 0.0536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29525 9317SOL HW129523 5.839 1.810 1.312 0.1342 -1.3935 -0.9420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29526 9317SOL HW229524 5.748 1.797 1.177 -0.0155 1.2542 -1.1595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29527 9318SOL OW29525 6.381 1.742 0.978 -0.4848 -0.2126 0.0968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29528 9318SOL HW129526 6.344 1.650 0.991 -1.3401 0.0901 -0.1257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29529 9318SOL HW229527 6.309 1.802 0.943 -0.5839 1.1235 2.4040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29530 9319SOL OW29528 5.729 0.558 0.434 -0.3730 -0.5051 0.3659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29531 9319SOL HW129529 5.722 0.463 0.403 2.0766 -1.3367 2.0602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29532 9319SOL HW229530 5.659 0.576 0.503 0.6167 -1.9017 1.8081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29533 9320SOL OW29531 6.899 0.143 1.770 0.0392 0.0909 -0.4011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29534 9320SOL HW129532 6.976 0.201 1.794 0.7236 -0.7383 -0.5659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29535 9320SOL HW229533 6.860 0.102 1.853 0.7541 -0.7025 -0.4446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29536 9321SOL OW29534 6.293 0.091 0.129 -0.0693 0.4239 0.0589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29537 9321SOL HW129535 6.317 -0.004 0.145 -1.2133 0.2433 0.8129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29538 9321SOL HW229536 6.252 0.100 0.038 -0.0406 0.1852 0.0211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29539 9322SOL OW29537 6.391 0.097 1.984 -0.5881 0.1969 0.1451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29540 9322SOL HW129538 6.297 0.095 2.018 -1.2731 2.0405 -1.4669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29541 9322SOL HW229539 6.450 0.142 2.051 -1.5264 2.0092 -0.1731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29542 9323SOL OW29540 6.282 1.495 1.219 -0.0791 0.2199 -0.2655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29543 9323SOL HW129541 6.298 1.455 1.129 0.1075 -1.2307 0.3938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29544 9323SOL HW229542 6.326 1.439 1.289 -2.7920 -0.4672 1.0358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29545 9324SOL OW29543 6.765 0.688 1.615 -0.2437 -0.0044 -0.3830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29546 9324SOL HW129544 6.732 0.704 1.708 -0.0533 -0.9235 -0.1528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29547 9324SOL HW229545 6.856 0.729 1.604 0.2345 -0.8871 0.1986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29548 9325SOL OW29546 6.324 1.355 0.967 -0.3649 -0.1672 -0.1858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29549 9325SOL HW129547 6.414 1.366 0.926 0.5423 -0.4019 1.6292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29550 9325SOL HW229548 6.254 1.351 0.895 0.8654 1.6791 -1.5690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29551 9326SOL OW29549 6.244 0.484 0.803 -0.0226 0.0457 0.3749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29552 9326SOL HW129550 6.245 0.451 0.709 1.6972 0.0568 0.3551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29553 9326SOL HW229551 6.256 0.407 0.866 -0.2967 0.1400 0.5438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29554 9327SOL OW29552 5.892 7.116 0.244 -0.0042 -0.1837 0.3238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29555 9327SOL HW129553 5.925 7.154 0.330 -1.1385 0.7641 0.3663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29556 9327SOL HW229554 5.877 7.189 0.178 1.0967 -0.9240 -0.7937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29557 9328SOL OW29555 6.998 1.185 0.118 -0.5081 -0.1910 0.6143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29558 9328SOL HW129556 7.031 1.093 0.098 1.5524 0.4424 0.8620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29559 9328SOL HW229557 6.914 1.180 0.173 -1.5235 -1.8941 -0.9945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29560 9329SOL OW29558 5.825 0.061 0.027 -0.4325 0.3463 0.4596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29561 9329SOL HW129559 5.760 0.012 -0.032 0.4001 -0.6244 0.3187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29562 9329SOL HW229560 5.807 0.159 0.021 -1.1527 0.1817 -0.4653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29563 9330SOL OW29561 6.655 0.133 0.378 0.2030 -0.1994 -0.0876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29564 9330SOL HW129562 6.754 0.120 0.376 0.2940 0.5725 -1.0631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29565 9330SOL HW229563 6.616 0.103 0.291 -0.2553 0.7251 -0.2120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29566 9331SOL OW29564 6.535 0.716 1.437 -0.1995 0.2326 0.0383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29567 9331SOL HW129565 6.471 0.640 1.440 -1.5765 1.3907 2.5133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29568 9331SOL HW229566 6.618 0.692 1.488 -1.5973 1.1163 2.8773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29569 9332SOL OW29567 6.817 1.477 0.833 -0.9240 0.0573 0.1144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29570 9332SOL HW129568 6.819 1.556 0.772 -0.3582 -0.6716 -0.8256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29571 9332SOL HW229569 6.908 1.437 0.840 -0.7275 0.7300 2.2736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29572 9333SOL OW29570 5.855 1.185 0.819 0.2415 -0.0342 0.4476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29573 9333SOL HW129571 5.815 1.097 0.845 0.1824 0.1881 1.1264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29574 9333SOL HW229572 5.793 1.231 0.755 -0.2789 0.0115 0.9709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29575 9334SOL OW29573 6.774 1.751 0.697 -0.2639 -0.3949 1.2109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29576 9334SOL HW129574 6.796 1.823 0.763 0.9378 0.6383 -0.2467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29577 9334SOL HW229575 6.680 1.762 0.666 0.3214 1.5550 -0.1011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29578 9335SOL OW29576 6.686 0.528 0.183 -0.0721 0.2367 0.8004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29579 9335SOL HW129577 6.620 0.586 0.135 -0.0767 -0.7028 -0.3636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29580 9335SOL HW229578 6.655 0.513 0.277 -1.4675 -0.1030 0.3045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29581 9336SOL OW29579 5.771 0.513 1.393 0.0595 -0.1255 -0.2364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29582 9336SOL HW129580 5.801 0.501 1.299 -0.2142 1.5211 -0.5737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29583 9336SOL HW229581 5.838 0.570 1.442 0.1168 -0.8261 0.5247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29584 9337SOL OW29582 6.080 0.353 1.149 0.5501 0.1499 0.1826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29585 9337SOL HW129583 6.126 0.316 1.068 0.9815 0.7536 0.1483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29586 9337SOL HW229584 5.993 0.305 1.163 0.7272 -0.3250 -0.3239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29587 9338SOL OW29585 6.230 0.304 0.611 0.0146 -0.3678 -0.7427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29588 9338SOL HW129586 6.298 0.237 0.580 -0.9342 -0.3583 -3.0186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29589 9338SOL HW229587 6.238 0.387 0.556 -0.1453 0.6554 0.7274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29590 9339SOL OW29588 6.341 0.002 0.780 0.6753 0.0862 -0.2245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29591 9339SOL HW129589 6.376 0.056 0.703 0.4801 -1.2998 -1.3323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29592 9339SOL HW229590 6.416 -0.047 0.823 0.5620 -0.4120 -0.5918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29593 9340SOL OW29591 7.066 1.082 0.890 0.2856 -0.8539 -1.0062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29594 9340SOL HW129592 6.977 1.081 0.845 -0.0099 0.3734 -0.5008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29595 9340SOL HW229593 7.137 1.056 0.825 -0.2334 -0.0242 -1.9320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29596 9341SOL OW29594 6.968 0.440 1.345 0.3975 0.2973 0.3886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29597 9341SOL HW129595 6.885 0.404 1.389 -0.7596 1.6821 -0.5502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29598 9341SOL HW229596 7.028 0.364 1.319 -0.1148 -0.6864 1.9288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29599 9342SOL OW29597 0.108 0.742 0.312 0.2437 0.4121 -0.0319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29600 9342SOL HW129598 0.094 0.711 0.406 -0.0614 1.8472 0.4224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29601 9342SOL HW229599 0.046 0.694 0.251 -0.4403 0.3593 0.6889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29602 9343SOL OW29600 5.881 1.207 0.455 -0.2608 0.1381 -0.0480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29603 9343SOL HW129601 5.825 1.232 0.534 0.6144 -0.8112 0.9115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29604 9343SOL HW229602 5.826 1.210 0.372 -1.9044 -1.3497 0.9271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29605 9344SOL OW29603 6.883 0.618 7.124 -0.8439 -0.3610 -0.0825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29606 9344SOL HW129604 6.908 0.549 7.192 0.4421 1.7884 1.7615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29607 9344SOL HW229605 6.925 0.706 7.149 -0.5553 0.6044 -3.5408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29608 9345SOL OW29606 6.198 7.250 0.390 0.8460 0.3823 0.2072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29609 9345SOL HW129607 6.183 7.332 0.334 1.5376 -0.6098 -1.4938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29610 9345SOL HW229608 6.115 7.230 0.441 -1.0868 -0.4797 -2.9589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29611 9346SOL OW29609 6.382 1.373 1.439 0.1039 0.7259 -0.1791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29612 9346SOL HW129610 6.297 1.331 1.470 -0.1681 1.4218 0.0336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29613 9346SOL HW229611 6.453 1.303 1.432 -1.1381 -0.3861 -2.9045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29614 9347SOL OW29612 7.244 1.515 1.686 -0.7032 1.1086 0.9938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29615 9347SOL HW129613 7.306 1.439 1.665 0.6392 1.6943 2.5227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29616 9347SOL HW229614 7.252 1.537 1.784 -1.5525 2.7831 0.7162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29617 9348SOL OW29615 6.738 1.421 1.315 -0.2643 0.1821 0.1963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29618 9348SOL HW129616 6.776 1.489 1.377 0.1733 -0.8464 1.0963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29619 9348SOL HW229617 6.656 1.458 1.271 1.0338 1.9762 -0.8375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29620 9349SOL OW29618 6.983 1.045 1.147 -0.1865 -0.4756 0.4492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29621 9349SOL HW129619 6.968 1.142 1.163 -1.8043 -0.4784 -0.7594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29622 9349SOL HW229620 7.012 1.030 1.052 0.6215 -1.1439 0.7808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29623 9350SOL OW29621 6.540 0.107 1.370 0.7934 0.3833 0.0553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29624 9350SOL HW129622 6.445 0.137 1.382 0.1258 -1.4163 -0.4682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29625 9350SOL HW229623 6.590 0.120 1.456 0.0429 1.1771 0.3917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29626 9351SOL OW29624 6.458 1.136 1.683 0.3085 0.0439 -0.3028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29627 9351SOL HW129625 6.379 1.189 1.716 0.4869 1.1919 -1.5997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29628 9351SOL HW229626 6.425 1.061 1.626 0.1358 0.7532 -1.1636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29629 9352SOL OW29627 6.075 0.897 0.417 0.0873 -0.4745 -0.1527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29630 9352SOL HW129628 6.050 0.924 0.510 0.7048 2.4011 -0.7527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29631 9352SOL HW229629 6.172 0.874 0.414 0.2749 0.3310 -0.2692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29632 9353SOL OW29630 5.884 0.777 1.252 -0.1565 -0.3884 -0.2911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29633 9353SOL HW129631 5.952 0.762 1.325 -0.7388 0.0553 0.3506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29634 9353SOL HW229632 5.857 0.689 1.214 -1.2483 -0.8069 1.3389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29635 9354SOL OW29633 6.692 0.469 1.465 0.1688 -0.1798 -0.0071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29636 9354SOL HW129634 6.737 0.558 1.475 -0.0817 0.1312 -1.4050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29637 9354SOL HW229635 6.593 0.481 1.473 0.1677 -0.4308 0.3710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29638 9355SOL OW29636 5.565 1.487 1.371 -0.3875 0.0567 0.5613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29639 9355SOL HW129637 5.490 1.503 1.307 0.7152 -0.7486 -0.9820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29640 9355SOL HW229638 5.646 1.538 1.342 0.0992 -0.2409 1.3697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29641 9356SOL OW29639 5.653 1.017 0.466 -0.3419 0.6107 0.3194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29642 9356SOL HW129640 5.751 1.012 0.485 -0.2651 -0.8555 -0.3140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29643 9356SOL HW229641 5.638 1.074 0.385 0.4506 -2.3607 -2.1211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29644 9357SOL OW29642 5.880 0.548 0.773 0.7195 0.1394 0.1612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29645 9357SOL HW129643 5.825 0.620 0.730 0.0672 -0.3084 0.2352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29646 9357SOL HW229644 5.938 0.588 0.844 -0.5372 0.4434 1.0596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29647 9358SOL OW29645 6.702 1.364 0.530 -0.2746 0.7629 -0.7875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29648 9358SOL HW129646 6.782 1.409 0.569 -1.2374 1.9217 -0.0893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29649 9358SOL HW229647 6.680 1.282 0.584 -0.6164 1.4404 0.1108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29650 9359SOL OW29648 6.967 1.297 1.305 -0.2578 0.2465 0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29651 9359SOL HW129649 6.997 1.356 1.380 -0.3525 2.3984 -1.4767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29652 9359SOL HW229650 6.870 1.314 1.287 -0.3097 -0.4721 -0.3302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29653 9360SOL OW29651 6.928 0.304 0.414 0.5215 0.1653 -0.1515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29654 9360SOL HW129652 6.853 0.310 0.480 1.0571 -0.0549 0.4923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29655 9360SOL HW229653 6.948 0.396 0.379 -1.1245 0.0333 -1.5917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29656 9361SOL OW29654 5.820 1.569 1.291 -0.9268 -0.2053 0.1278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29657 9361SOL HW129655 5.817 1.498 1.220 -0.6404 -0.3853 0.2965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29658 9361SOL HW229656 5.915 1.594 1.310 -0.9306 -1.0057 1.2901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29659 9362SOL OW29657 6.056 0.620 1.440 0.1802 -0.6795 -0.2168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29660 9362SOL HW129658 6.148 0.625 1.401 0.3965 1.9398 0.4760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29661 9362SOL HW229659 6.037 0.525 1.466 1.8313 -1.6726 -2.2622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29662 9363SOL OW29660 7.082 0.842 1.573 -0.1955 0.0451 -0.0741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29663 9363SOL HW129661 6.994 0.880 1.602 -0.0006 0.7858 -0.4307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29664 9363SOL HW229662 7.132 0.910 1.519 -0.1446 -0.9601 -1.3445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29665 9364SOL OW29663 6.503 0.042 1.733 0.0618 0.0606 0.3645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29666 9364SOL HW129664 6.559 0.112 1.688 -0.9473 1.0334 0.5716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29667 9364SOL HW229665 6.503 0.059 1.831 0.2520 -0.5777 0.4778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29668 9365SOL OW29666 6.047 0.036 1.450 -0.3136 -0.0245 0.2371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29669 9365SOL HW129667 5.977 0.024 1.520 0.5036 -1.8229 0.7979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29670 9365SOL HW229668 6.008 0.022 1.359 -1.1846 1.4589 0.3437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29671 9366SOL OW29669 6.108 0.902 1.086 0.0565 0.4907 0.2198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29672 9366SOL HW129670 6.122 1.001 1.096 -0.5912 0.6389 -0.3134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29673 9366SOL HW229671 6.015 0.878 1.115 -0.3677 0.2953 -1.2384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29674 9367SOL OW29672 6.983 0.666 0.979 -0.1085 0.0294 0.1285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29675 9367SOL HW129673 6.897 0.617 0.966 0.5843 -0.8193 -1.7160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29676 9367SOL HW229674 7.004 0.718 0.896 1.7011 -0.6990 0.0753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29677 9368SOL OW29675 6.630 0.533 0.433 -0.5049 -0.9556 -0.8486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29678 9368SOL HW129676 6.647 0.468 0.508 2.1199 0.7489 0.1918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29679 9368SOL HW229677 6.579 0.612 0.468 2.6084 0.9031 -0.0891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29680 9369SOL OW29678 5.865 0.177 1.157 -0.0479 0.6133 -0.3197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29681 9369SOL HW129679 5.831 0.194 1.249 1.1183 -0.6279 0.3924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29682 9369SOL HW229680 5.908 0.086 1.155 0.4851 0.8830 -1.9310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29683 9370SOL OW29681 5.549 1.099 1.129 0.1716 -0.6828 -0.1714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29684 9370SOL HW129682 5.523 1.052 1.213 -1.2307 -2.6701 -1.6300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29685 9370SOL HW229683 5.472 1.152 1.095 0.1902 -1.1953 -1.0406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29686 9371SOL OW29684 6.055 0.667 0.973 -0.0018 0.1943 0.3446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29687 9371SOL HW129685 6.132 0.615 0.934 0.4208 -0.4334 1.9368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29688 9371SOL HW229686 6.088 0.753 1.009 -0.0690 -0.0031 0.8826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29689 9372SOL OW29687 5.964 7.231 0.503 0.3739 -0.1981 -0.1306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29690 9372SOL HW129688 5.899 7.307 0.496 0.4719 0.1047 1.6949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29691 9372SOL HW229689 5.984 7.213 0.600 0.9158 -2.0866 -0.5409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29692 9373SOL OW29690 6.945 0.569 0.305 0.4994 0.1767 0.2420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29693 9373SOL HW129691 6.998 0.650 0.328 -0.4669 0.7049 0.6698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29694 9373SOL HW229692 6.859 0.597 0.261 0.1182 -0.6024 0.4671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29695 9374SOL OW29693 6.475 0.634 0.872 -0.2233 0.5714 -0.0223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29696 9374SOL HW129694 6.432 0.712 0.917 -0.2709 -0.3486 1.6148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29697 9374SOL HW229695 6.405 0.568 0.845 0.0249 -0.5801 1.9681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29698 9375SOL OW29696 6.333 1.626 1.544 -0.0595 0.0078 -0.0073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29699 9375SOL HW129697 6.352 1.702 1.482 -0.1382 -0.3622 -0.4912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29700 9375SOL HW229698 6.352 1.539 1.498 1.4067 -0.2498 0.9859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29701 9376SOL OW29699 5.980 0.822 1.622 -0.3484 0.0609 0.2704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29702 9376SOL HW129700 6.058 0.875 1.656 -0.9756 1.8506 -0.9420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29703 9376SOL HW229701 6.009 0.762 1.549 -0.2934 1.8874 -1.2942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29704 9377SOL OW29702 6.974 0.422 0.029 -0.6565 -0.0558 -0.2969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29705 9377SOL HW129703 7.062 0.379 0.049 -0.0122 1.1229 -0.4668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29706 9377SOL HW229704 6.914 0.417 0.109 -0.2763 -0.4964 -0.0402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29707 9378SOL OW29705 6.768 0.968 0.152 -0.3786 0.2109 0.0183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29708 9378SOL HW129706 6.788 0.980 0.055 -1.1531 -0.0661 -0.1830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29709 9378SOL HW229707 6.675 0.933 0.163 -1.3423 2.8003 0.9601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29710 9379SOL OW29708 6.566 1.365 0.849 0.0587 -0.0616 0.3904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29711 9379SOL HW129709 6.577 1.324 0.759 -0.6228 3.4032 -1.4477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29712 9379SOL HW229710 6.644 1.423 0.870 -0.9832 1.2542 0.7915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29713 9380SOL OW29711 5.543 0.715 0.977 -0.5337 -0.5882 0.1330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29714 9380SOL HW129712 5.579 0.624 0.956 -2.1451 -1.1036 -0.5064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29715 9380SOL HW229713 5.507 0.716 1.071 2.1595 0.2963 1.2617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29716 9381SOL OW29714 5.649 0.473 0.908 -0.3257 0.1362 -0.7876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29717 9381SOL HW129715 5.638 0.385 0.954 -0.4130 0.2806 -0.5346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29718 9381SOL HW229716 5.716 0.463 0.834 1.8053 0.5187 0.9986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29719 9382SOL OW29717 6.709 0.621 1.909 -0.0019 -0.1742 -0.0533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29720 9382SOL HW129718 6.619 0.664 1.906 -0.2757 -0.7142 0.1555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29721 9382SOL HW229719 6.763 0.661 1.983 -0.9835 -1.5425 1.4812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29722 9383SOL OW29720 6.687 0.218 1.593 -0.2860 -1.0160 0.5182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29723 9383SOL HW129721 6.703 0.310 1.557 0.7343 -1.5634 -0.4960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29724 9383SOL HW229722 6.765 0.190 1.649 0.7070 -2.2650 -1.3813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29725 9384SOL OW29723 5.188 1.009 0.174 -0.0219 -0.5099 0.2166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29726 9384SOL HW129724 5.174 1.008 0.075 0.7470 -0.3735 0.1027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29727 9384SOL HW229725 5.280 0.978 0.195 -0.5270 -1.5977 0.9562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29728 9385SOL OW29726 5.595 1.781 1.015 -0.2791 -0.2229 -0.1000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29729 9385SOL HW129727 5.570 1.688 0.990 -1.8795 0.6497 -1.9745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29730 9385SOL HW229728 5.692 1.796 0.995 0.1909 -1.6670 0.9369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29731 9386SOL OW29729 6.042 1.591 0.860 -0.1236 0.0931 0.2386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29732 9386SOL HW129730 6.102 1.670 0.855 -0.0511 -0.0145 -1.0538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29733 9386SOL HW229731 6.079 1.518 0.802 -1.9527 0.3579 -1.3818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29734 9387SOL OW29732 6.417 0.907 0.991 0.1575 0.2587 0.5228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29735 9387SOL HW129733 6.513 0.896 0.967 0.2373 0.2212 0.8516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29736 9387SOL HW229734 6.410 0.949 1.082 -0.1375 0.8752 0.2174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29737 9388SOL OW29735 5.534 0.441 1.270 -0.0816 -0.9309 -0.1847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29738 9388SOL HW129736 5.577 0.401 1.189 1.3545 0.8758 -0.4108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29739 9388SOL HW229737 5.604 0.458 1.340 -0.9813 -0.7356 0.7019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29740 9389SOL OW29738 5.782 0.685 1.739 0.4195 -0.1606 -0.2305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29741 9389SOL HW129739 5.862 0.739 1.714 0.8642 -0.4870 0.4545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29742 9389SOL HW229740 5.709 0.700 1.672 0.8563 0.5686 -0.5527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29743 9390SOL OW29741 6.885 0.993 1.654 0.2029 -0.5212 0.0835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29744 9390SOL HW129742 6.929 1.082 1.660 -0.3175 -0.2225 -0.3711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29745 9390SOL HW229743 6.833 0.987 1.568 0.4247 -1.3498 -0.0067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29746 9391SOL OW29744 6.281 0.527 0.468 -0.2796 0.2145 -0.0217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29747 9391SOL HW129745 6.296 0.462 0.394 -1.0379 -1.6245 1.3420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29748 9391SOL HW229746 6.203 0.585 0.446 0.1147 0.3658 -1.0755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29749 9392SOL OW29747 5.768 1.298 1.705 -0.4877 -0.0754 0.1725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29750 9392SOL HW129748 5.675 1.312 1.737 -0.0655 -0.0088 1.3937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29751 9392SOL HW229749 5.794 1.202 1.718 -0.4498 -0.1396 -0.3531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29752 9393SOL OW29750 6.281 0.454 1.287 0.0202 -0.7304 0.1956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29753 9393SOL HW129751 6.206 0.400 1.250 -0.8987 -0.2405 1.2867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29754 9393SOL HW229752 6.288 0.540 1.237 1.0278 -1.5211 -1.0741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29755 9394SOL OW29753 6.438 1.826 1.379 0.7222 0.4730 0.5993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29756 9394SOL HW129754 6.410 1.848 1.286 1.5948 -0.3295 0.1357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29757 9394SOL HW229755 6.514 1.886 1.406 2.1515 -0.9284 -0.1480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29758 9395SOL OW29756 5.986 0.340 0.046 0.4095 0.4290 0.7470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29759 9395SOL HW129757 6.005 0.437 0.031 0.7919 0.4239 1.1754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29760 9395SOL HW229758 6.007 0.316 0.141 1.8808 -0.4176 0.2422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29761 9396SOL OW29759 5.562 1.054 1.514 0.2883 -0.9958 -0.2744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29762 9396SOL HW129760 5.594 1.045 1.608 -0.8697 -1.1714 0.1191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29763 9396SOL HW229761 5.612 0.991 1.455 0.0401 -1.9160 0.4747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29764 9397SOL OW29762 6.669 0.851 0.915 -0.6475 0.1521 -0.0183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29765 9397SOL HW129763 6.651 0.754 0.896 -1.9865 0.8203 -2.5782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29766 9397SOL HW229764 6.766 0.870 0.903 -0.1737 -1.0467 1.6005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29767 9398SOL OW29765 6.942 0.876 0.325 -0.4668 0.0453 0.0540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29768 9398SOL HW129766 6.878 0.910 0.257 1.4712 1.2714 -1.2650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29769 9398SOL HW229767 6.940 0.936 0.405 0.1881 1.0469 -0.6670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29770 9399SOL OW29768 0.079 1.704 1.376 0.1898 0.1412 0.2621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29771 9399SOL HW129769 0.152 1.639 1.352 1.7307 0.4322 3.5777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29772 9399SOL HW229770 -0.010 1.662 1.358 1.1445 -1.2949 -1.4002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29773 9400SOL OW29771 6.865 1.841 1.202 0.3557 -0.2841 -0.4474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29774 9400SOL HW129772 6.930 1.900 1.154 -0.5814 0.0128 -1.4162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29775 9400SOL HW229773 6.801 1.898 1.255 0.5056 -0.5342 0.0060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29776 9401SOL OW29774 5.686 1.305 1.025 0.0254 -0.1242 0.4565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29777 9401SOL HW129775 5.630 1.230 1.061 -0.4465 -1.4686 -2.7488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29778 9401SOL HW229776 5.774 1.269 0.993 1.1907 1.3224 1.8801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29779 9402SOL OW29777 6.331 1.776 1.785 0.0712 0.0054 -0.4055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29780 9402SOL HW129778 6.428 1.792 1.806 0.0163 -0.1906 0.0196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29781 9402SOL HW229779 6.324 1.706 1.715 0.2061 -1.6779 1.1741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29782 9403SOL OW29780 6.376 0.339 0.231 -0.5162 -0.1746 0.3170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29783 9403SOL HW129781 6.326 0.261 0.192 1.1965 -0.3069 -1.8117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29784 9403SOL HW229782 6.470 0.339 0.197 -0.6489 3.2521 -0.4793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29785 9404SOL OW29783 6.887 1.576 0.527 -0.3148 0.3191 0.2522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29786 9404SOL HW129784 6.927 1.614 0.444 3.1202 0.1007 1.6231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29787 9404SOL HW229785 6.853 1.650 0.585 -1.7294 0.5392 -0.7914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29788 9405SOL OW29786 5.545 1.859 1.787 -0.4064 -0.6236 0.3575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29789 9405SOL HW129787 5.470 1.813 1.741 -1.3284 1.1323 0.0582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29790 9405SOL HW229788 5.534 1.850 1.886 0.3140 -2.3707 0.3313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29791 9406SOL OW29789 6.877 0.994 0.713 0.3777 -0.0236 -0.0035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29792 9406SOL HW129790 6.937 0.916 0.735 0.8323 0.7088 1.4488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29793 9406SOL HW229791 6.907 1.034 0.626 0.8533 -0.7628 -0.1997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29794 9407SOL OW29792 6.155 1.271 1.516 -0.3404 -0.1216 0.8897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29795 9407SOL HW129793 6.137 1.350 1.574 2.6213 1.9362 -0.7640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29796 9407SOL HW229794 6.094 1.273 1.437 1.4993 2.2965 -0.6239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29797 9408SOL OW29795 5.946 1.679 0.213 0.2152 0.1582 -0.0569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29798 9408SOL HW129796 5.868 1.616 0.217 0.6933 -0.4278 0.1141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29799 9408SOL HW229797 5.987 1.688 0.303 -0.0316 0.9673 -0.0099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29800 9409SOL OW29798 5.852 0.226 0.518 0.1953 0.1950 -0.4207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29801 9409SOL HW129799 5.753 0.213 0.520 0.2275 -0.0831 -0.5608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29802 9409SOL HW229800 5.882 0.273 0.601 0.3362 -2.4898 1.1889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29803 9410SOL OW29801 6.812 1.504 0.226 -0.1145 -0.0856 0.7028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29804 9410SOL HW129802 6.775 1.413 0.206 -0.6721 0.3969 -0.5209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29805 9410SOL HW229803 6.752 1.550 0.292 -0.1674 -0.3572 0.8491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29806 9411SOL OW29804 6.406 1.055 1.228 -0.0747 0.0141 -0.4318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29807 9411SOL HW129805 6.341 1.109 1.175 -1.2352 -0.6774 0.2382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29808 9411SOL HW229806 6.472 1.116 1.273 0.5734 0.6500 -2.1313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29809 9412SOL OW29807 6.335 0.850 0.407 -0.4367 0.4605 0.7728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29810 9412SOL HW129808 6.383 0.848 0.319 -0.4992 -0.5940 0.7494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29811 9412SOL HW229809 6.393 0.808 0.477 -0.3690 1.3390 1.2559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29812 9413SOL OW29810 7.111 1.738 0.026 -0.2839 -0.0400 -0.4298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29813 9413SOL HW129811 7.083 1.742 -0.070 0.9805 0.5727 -0.7843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29814 9413SOL HW229812 7.202 1.697 0.033 -0.3446 -0.0385 0.5089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29815 9414SOL OW29813 5.732 1.234 1.370 0.4142 0.1986 0.2387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29816 9414SOL HW129814 5.684 1.321 1.362 -1.3024 -0.5759 1.4466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29817 9414SOL HW229815 5.681 1.173 1.430 1.7609 -1.5342 -0.2789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29818 9415SOL OW29816 6.576 1.163 0.651 -0.4161 -0.3288 0.0989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29819 9415SOL HW129817 6.481 1.144 0.629 -0.4273 0.9489 -1.1406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29820 9415SOL HW229818 6.619 1.081 0.689 -1.5617 -1.4179 -0.8596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29821 9416SOL OW29819 6.248 0.234 0.955 -0.4949 -0.1084 0.1357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29822 9416SOL HW129820 6.230 0.170 0.880 1.2829 1.0622 -1.3705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29823 9416SOL HW229821 6.337 0.214 0.996 -0.6719 0.3602 0.7651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29824 9417SOL OW29822 6.135 1.257 0.565 -0.4137 0.4287 0.5716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29825 9417SOL HW129823 6.207 1.188 0.565 -1.0306 -0.4821 4.4248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29826 9417SOL HW229824 6.053 1.219 0.521 0.5494 0.4170 -1.2842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29827 9418SOL OW29825 5.710 1.311 0.647 -0.1028 0.2110 -0.1750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29828 9418SOL HW129826 5.612 1.314 0.628 -0.2506 0.6307 0.6418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29829 9418SOL HW229827 5.746 1.404 0.655 0.1275 0.0513 0.6925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29830 9419SOL OW29828 5.821 1.026 1.742 -0.0027 0.2668 0.2647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29831 9419SOL HW129829 5.729 0.990 1.751 -0.0700 -0.2248 -1.7782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29832 9419SOL HW229830 5.883 0.953 1.712 0.6844 0.9517 -0.0288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29833 9420SOL OW29831 6.238 0.300 1.765 -0.5591 0.4089 0.3483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29834 9420SOL HW129832 6.244 0.200 1.755 -1.0747 0.3084 0.9797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29835 9420SOL HW229833 6.328 0.336 1.790 0.0563 0.3262 -1.5598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29836 9421SOL OW29834 5.383 0.133 7.036 0.5144 -0.0085 -0.1098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29837 9421SOL HW129835 5.431 0.210 7.077 1.4200 -0.6073 -0.0214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29838 9421SOL HW229836 5.292 0.125 7.077 0.7137 0.5181 0.4456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29839 9422SOL OW29837 6.831 0.956 1.371 0.5907 0.5103 0.1804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29840 9422SOL HW129838 6.897 0.999 1.309 1.4013 0.3706 0.9266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29841 9422SOL HW229839 6.807 0.865 1.335 2.1043 -0.1504 0.7315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29842 9423SOL OW29840 5.383 0.169 0.089 0.4182 -0.5528 0.3548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29843 9423SOL HW129841 5.451 0.227 0.045 -1.7769 0.7942 -1.4725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29844 9423SOL HW229842 5.424 0.081 0.113 2.2180 -0.6991 -2.7964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29845 9424SOL OW29843 6.741 1.236 0.246 0.2985 0.0992 -0.4569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29846 9424SOL HW129844 6.724 1.139 0.227 -2.0830 0.7685 -2.2259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29847 9424SOL HW229845 6.705 1.259 0.337 -0.8568 -0.3115 -0.7918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29848 9425SOL OW29846 6.262 0.732 1.230 0.1073 0.1431 -0.6696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29849 9425SOL HW129847 6.183 0.788 1.203 0.2855 1.6764 1.6531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29850 9425SOL HW229848 6.344 0.789 1.235 0.8745 -0.9193 -0.8093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29851 9426SOL OW29849 7.070 2.007 1.123 -0.3668 0.8732 0.3084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29852 9426SOL HW129850 7.139 1.977 1.057 -1.5355 -1.1070 -0.0792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29853 9426SOL HW229851 7.115 2.031 1.209 0.7771 -0.9518 0.2644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29854 9427SOL OW29852 6.473 0.396 1.803 -0.1213 0.3517 -0.4303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29855 9427SOL HW129853 6.543 0.441 1.747 -0.5829 1.2083 -0.3328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29856 9427SOL HW229854 6.517 0.356 1.884 0.6487 -1.4415 -1.6744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29857 9428SOL OW29855 6.923 1.270 1.671 0.6830 0.6199 -0.2027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29858 9428SOL HW129856 6.913 1.288 1.769 0.1278 -0.0738 -0.1233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29859 9428SOL HW229857 6.995 1.328 1.633 1.6173 0.1589 0.8293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29860 9429SOL OW29858 5.803 1.788 1.737 0.7545 0.3139 -0.5675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29861 9429SOL HW129859 5.710 1.807 1.767 0.7739 1.0353 -0.9516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29862 9429SOL HW229860 5.809 1.694 1.704 0.0504 0.3941 -0.9432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29863 9430SOL OW29861 6.944 0.697 1.251 -0.5713 0.1486 0.1861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29864 9430SOL HW129862 6.961 0.599 1.264 -0.3187 0.1236 -0.3111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29865 9430SOL HW229863 6.977 0.725 1.161 -3.5161 0.0251 -1.0408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29866 9431SOL OW29864 6.670 0.310 0.593 0.9033 -0.0104 0.0940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29867 9431SOL HW129865 6.663 0.223 0.546 0.6441 -0.3709 0.7884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29868 9431SOL HW229866 6.604 0.313 0.668 1.2763 0.5727 0.4088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29869 9432SOL OW29867 5.759 0.781 0.674 -0.3732 -0.0884 -0.1258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29870 9432SOL HW129868 5.810 0.861 0.704 0.7152 -0.5458 -0.7209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29871 9432SOL HW229869 5.663 0.807 0.659 -0.3161 0.8020 0.8797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29872 9433SOL OW29870 7.185 0.895 1.236 0.1853 0.0921 -0.3120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29873 9433SOL HW129871 7.112 0.957 1.206 -1.0032 -0.5152 1.1644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29874 9433SOL HW229872 7.145 0.810 1.270 1.7379 -1.1294 -1.3959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29875 9434SOL OW29873 6.434 1.189 0.211 0.7911 0.0469 0.5823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29876 9434SOL HW129874 6.349 1.239 0.228 -1.5019 -3.0462 -0.8224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29877 9434SOL HW229875 6.467 1.212 0.119 0.9073 0.4488 0.7197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29878 9435SOL OW29876 6.165 1.829 0.823 -0.4717 -0.4153 0.1804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29879 9435SOL HW129877 6.171 1.864 0.730 1.4375 0.4766 0.6017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29880 9435SOL HW229878 6.111 1.893 0.879 -1.3282 -0.7813 -0.2107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29881 9436SOL OW29879 6.265 1.029 0.805 0.3721 -0.3451 0.0101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29882 9436SOL HW129880 6.318 0.990 0.880 -0.4596 -0.8311 0.3641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29883 9436SOL HW229881 6.244 1.125 0.825 2.7445 0.4708 -1.0333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29884 9437SOL OW29882 6.482 0.928 0.157 -0.4909 0.2005 -0.6042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29885 9437SOL HW129883 6.395 0.907 0.111 0.0152 0.0579 -1.5174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29886 9437SOL HW229884 6.477 1.021 0.194 -1.0615 0.1694 -0.5881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29887 9438SOL OW29885 0.113 1.555 0.658 0.4231 0.2411 -0.4294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29888 9438SOL HW129886 0.017 1.529 0.650 0.2278 -0.8740 3.4146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29889 9438SOL HW229887 0.170 1.473 0.650 0.5929 0.0598 1.8889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29890 9439SOL OW29888 5.821 1.154 1.976 0.4530 0.3036 -0.2372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29891 9439SOL HW129889 5.829 1.114 1.885 1.0651 0.1851 -0.1377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29892 9439SOL HW229890 5.743 1.113 2.023 1.0128 -0.7270 -0.1703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29893 9440SOL OW29891 5.475 1.007 0.670 0.1357 -0.0354 0.3729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29894 9440SOL HW129892 5.509 0.970 0.757 0.6273 -0.4640 0.0053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29895 9440SOL HW229893 5.553 1.028 0.611 -0.2218 -2.0873 -0.9280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29896 9441SOL OW29894 6.109 1.486 1.676 -0.0885 0.2769 -0.0914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29897 9441SOL HW129895 6.016 1.510 1.704 -0.8527 -0.7600 -1.5809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29898 9441SOL HW229896 6.156 1.569 1.644 -1.1007 0.5671 -0.9039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29899 9442SOL OW29897 6.941 0.037 1.387 -0.4023 0.3787 0.3050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29900 9442SOL HW129898 6.960 -0.038 1.324 -1.7822 0.4456 -0.2054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29901 9442SOL HW229899 6.980 0.122 1.351 2.4140 -0.2570 1.5538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29902 9443SOL OW29900 6.018 0.339 0.314 0.1991 0.2320 -0.1424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29903 9443SOL HW129901 6.040 0.436 0.313 3.1177 -0.3125 0.2264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29904 9443SOL HW229902 5.980 0.313 0.403 -0.0889 0.9340 -0.0609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29905 9444SOL OW29903 5.845 0.495 1.136 -0.2341 0.1172 -0.0468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29906 9444SOL HW129904 5.936 0.456 1.121 0.0553 0.2976 1.1639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29907 9444SOL HW229905 5.791 0.487 1.052 0.8929 0.0081 -0.7739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29908 9445SOL OW29906 6.201 1.522 0.560 0.2547 -0.1995 -0.8931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29909 9445SOL HW129907 6.299 1.541 0.551 0.4670 -0.8862 -0.1960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29910 9445SOL HW229908 6.185 1.424 0.546 -0.2330 -0.2070 -0.3239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29911 9446SOL OW29909 6.692 0.288 1.233 0.2259 -0.1778 -0.0293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29912 9446SOL HW129910 6.656 0.212 1.286 0.3402 -0.1582 0.0766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29913 9446SOL HW229911 6.690 0.371 1.289 0.6620 -0.2273 0.0570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29914 9447SOL OW29912 6.590 7.146 0.877 -0.6907 0.2799 0.3971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29915 9447SOL HW129913 6.560 7.089 0.954 -0.0848 -1.7962 -0.8296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29916 9447SOL HW229914 6.689 7.158 0.880 -0.7064 0.4929 0.1366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29917 9448SOL OW29915 6.361 1.113 0.461 0.6956 0.1485 0.6878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29918 9448SOL HW129916 6.409 1.164 0.389 0.0122 1.4119 1.1021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29919 9448SOL HW229917 6.332 1.024 0.425 -0.7632 1.2467 -1.0374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29920 9449SOL OW29918 6.066 1.627 1.352 0.0374 0.0172 -0.2738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29921 9449SOL HW129919 6.089 1.718 1.387 0.0323 -0.3003 0.5809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29922 9449SOL HW229920 6.144 1.589 1.302 0.4947 -0.0222 0.4525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29923 9450SOL OW29921 6.659 0.244 0.099 0.0483 0.2519 0.3914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29924 9450SOL HW129922 6.731 0.192 0.145 -0.4238 -1.5505 -0.8194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29925 9450SOL HW229923 6.667 0.341 0.123 2.4804 0.0047 0.7662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29926 9451SOL OW29924 6.496 0.296 0.791 -0.1210 -0.4764 -0.3979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29927 9451SOL HW129925 6.401 0.303 0.821 -0.3746 -1.6729 -0.8685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29928 9451SOL HW229926 6.544 0.231 0.850 0.1413 -0.6152 -0.7601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29929 9452SOL OW29927 6.894 0.342 0.788 0.1430 -0.4879 -0.5351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29930 9452SOL HW129928 6.825 0.300 0.728 0.8558 -0.3076 -1.5093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29931 9452SOL HW229929 6.896 0.294 0.875 -1.0937 -0.6067 -0.5507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29932 9453SOL OW29930 5.439 0.828 0.204 0.6333 -0.2904 -0.0279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29933 9453SOL HW129931 5.538 0.842 0.209 0.4101 1.1497 1.9383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29934 9453SOL HW229932 5.407 0.786 0.289 -0.6413 0.8951 0.1135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29935 9454SOL OW29933 6.198 1.321 0.303 -0.2607 -0.2121 0.4320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29936 9454SOL HW129934 6.120 1.351 0.249 -0.0165 1.3428 0.8852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29937 9454SOL HW229935 6.168 1.299 0.396 -0.3653 -1.0015 0.2230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29938 9455SOL OW29936 5.708 0.703 2.030 0.5513 -0.4447 0.1604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29939 9455SOL HW129937 5.634 0.651 2.073 -0.1364 0.6271 0.3276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29940 9455SOL HW229938 5.709 0.685 1.932 -2.6111 2.4923 -0.5975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29941 9456SOL OW29939 5.566 0.194 2.827 -0.0213 -0.2459 -0.1885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29942 9456SOL HW129940 5.639 0.208 2.760 0.0974 -3.7119 -0.9342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29943 9456SOL HW229941 5.478 0.212 2.784 0.1175 -1.3808 -0.9775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29944 9457SOL OW29942 5.664 0.314 2.293 0.5239 0.6918 -0.2811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29945 9457SOL HW129943 5.620 0.266 2.370 0.0517 1.0492 -0.3263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29946 9457SOL HW229944 5.610 0.299 2.210 1.0235 0.3222 -0.5421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29947 9458SOL OW29945 6.135 1.328 3.070 0.9538 0.0452 -0.3077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29948 9458SOL HW129946 6.086 1.364 2.991 1.4297 0.3819 -0.4583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29949 9458SOL HW229947 6.179 1.404 3.119 0.3840 -0.1194 0.4781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29950 9459SOL OW29948 7.211 1.707 2.682 -0.4703 0.0884 0.3478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29951 9459SOL HW129949 7.176 1.614 2.693 -2.5346 1.1233 4.7186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29952 9459SOL HW229950 7.310 1.707 2.699 -0.2266 -1.3766 -0.8389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29953 9460SOL OW29951 6.896 0.942 2.692 -0.3041 -0.1720 0.6881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29954 9460SOL HW129952 6.929 0.901 2.607 2.1154 0.8631 1.0491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29955 9460SOL HW229953 6.927 0.887 2.769 0.5115 0.7481 1.0359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29956 9461SOL OW29954 0.048 0.706 2.022 0.0126 0.5116 -0.4697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29957 9461SOL HW129955 -0.031 0.737 2.076 -0.9529 2.0397 -2.6271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29958 9461SOL HW229956 0.024 0.622 1.974 -0.7124 1.4790 -1.8699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29959 9462SOL OW29957 6.326 1.127 2.865 0.1421 -0.0308 -0.0415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29960 9462SOL HW129958 6.359 1.176 2.946 -1.8967 0.3004 0.6594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29961 9462SOL HW229959 6.296 1.193 2.796 -0.7167 -0.2784 0.0818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29962 9463SOL OW29960 6.557 0.663 3.609 -0.4528 0.1134 -0.2316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29963 9463SOL HW129961 6.566 0.697 3.702 3.1555 0.3125 -0.4853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29964 9463SOL HW229962 6.557 0.739 3.545 3.0905 0.0123 -0.5635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29965 9464SOL OW29963 6.256 0.980 2.580 0.6808 0.1856 -0.6184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29966 9464SOL HW129964 6.166 1.025 2.576 1.2131 1.2285 -1.3437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29967 9464SOL HW229965 6.319 1.036 2.632 1.4357 0.4352 -1.7718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29968 9465SOL OW29966 6.266 1.166 3.626 -0.1994 0.6542 0.3126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29969 9465SOL HW129967 6.271 1.190 3.723 -1.0814 1.1369 0.2528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29970 9465SOL HW229968 6.238 1.246 3.573 -0.0251 0.3144 -0.3018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29971 9466SOL OW29969 5.928 1.405 2.886 -0.5848 0.2704 0.5449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29972 9466SOL HW129970 5.911 1.316 2.843 -0.5854 0.0763 0.9459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29973 9466SOL HW229971 5.947 1.472 2.815 2.5969 -0.7073 0.3343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29974 9467SOL OW29972 6.948 1.509 3.319 0.5600 0.2258 -0.1007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29975 9467SOL HW129973 7.012 1.521 3.395 -0.4794 -0.1099 0.8606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29976 9467SOL HW229974 6.869 1.457 3.350 -0.5152 1.2180 -1.0715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29977 9468SOL OW29975 5.917 0.369 3.382 0.2363 -0.1406 0.3245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29978 9468SOL HW129976 5.979 0.299 3.347 0.5632 0.1464 0.3200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29979 9468SOL HW229977 5.876 0.338 3.468 0.9952 -0.0138 0.7433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29980 9469SOL OW29978 5.670 1.789 2.241 0.2641 -0.1793 -0.0499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29981 9469SOL HW129979 5.698 1.764 2.334 -1.5022 0.6051 0.7467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29982 9469SOL HW229980 5.750 1.797 2.183 1.4047 -0.8056 1.3744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29983 9470SOL OW29981 6.641 1.324 3.669 -0.0712 0.0671 0.0824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29984 9470SOL HW129982 6.698 1.322 3.751 -0.4828 0.2127 0.3759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29985 9470SOL HW229983 6.595 1.236 3.658 -0.3016 0.1698 0.2147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29986 9471SOL OW29984 5.652 1.485 2.223 0.0734 -0.4785 -0.0040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29987 9471SOL HW129985 5.629 1.581 2.234 -0.2432 -0.3365 -1.7461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29988 9471SOL HW229986 5.611 1.432 2.298 -1.1796 0.5129 0.0397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29989 9472SOL OW29987 5.878 1.152 2.758 0.7050 -0.6356 0.0993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29990 9472SOL HW129988 5.935 1.091 2.704 -1.5674 -2.0998 -0.7742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29991 9472SOL HW229989 5.843 1.104 2.838 -0.1341 -0.0944 0.0676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29992 9473SOL OW29990 6.101 1.646 3.329 -0.2379 0.1232 0.0230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29993 9473SOL HW129991 6.061 1.598 3.407 0.7861 -0.7315 0.0360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29994 9473SOL HW229992 6.147 1.729 3.361 0.0359 -0.1385 0.3060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29995 9474SOL OW29993 6.080 0.950 2.000 0.1624 0.1959 -0.1320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29996 9474SOL HW129994 6.100 0.967 1.904 -2.4001 -0.6990 -0.9124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29997 9474SOL HW229995 6.122 1.020 2.056 1.5360 0.8680 -1.9059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29998 9475SOL OW29996 7.022 0.184 3.384 0.3532 -0.1430 -0.0734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
29999 9475SOL HW129997 6.972 0.149 3.304 2.1228 0.1763 -1.3856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30000 9475SOL HW229998 7.013 0.119 3.460 -1.9817 -0.1067 -0.2396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30001 9476SOL OW29999 5.642 0.520 2.654 0.5542 0.9061 -0.1584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30002 9476SOL HW130000 5.710 0.477 2.713 0.1769 -0.1487 -0.4766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30003 9476SOL HW230001 5.614 0.608 2.693 -2.4897 -1.3517 3.3796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30004 9477SOL OW30002 5.523 1.323 1.863 0.4723 -0.2573 0.0676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30005 9477SOL HW130003 5.424 1.338 1.862 0.6403 1.0236 0.1693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30006 9477SOL HW230004 5.546 1.261 1.938 -0.3689 -1.6886 -0.8167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30007 9478SOL OW30005 7.210 0.870 2.450 -0.2519 -0.0141 0.5104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30008 9478SOL HW130006 7.253 0.830 2.531 0.4711 1.5549 0.9430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30009 9478SOL HW230007 7.265 0.849 2.369 -0.9286 -1.4993 0.4059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30010 9479SOL OW30008 5.570 0.772 3.282 -0.1646 0.0885 0.2929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30011 9479SOL HW130009 5.615 0.820 3.207 0.1659 -0.2648 0.2636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30012 9479SOL HW230010 5.534 0.684 3.249 -0.5185 0.1875 0.4121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30013 9480SOL OW30011 6.096 1.339 2.496 -0.0389 0.5051 0.6892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30014 9480SOL HW130012 6.045 1.253 2.501 0.0427 0.5275 2.3858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30015 9480SOL HW230013 6.089 1.376 2.403 -0.7566 -0.9064 0.1463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30016 9481SOL OW30014 6.816 1.151 3.360 0.5503 0.6490 -0.0913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30017 9481SOL HW130015 6.819 1.068 3.305 0.4143 -0.8616 2.0607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30018 9481SOL HW230016 6.751 1.216 3.320 -2.1503 -1.7578 0.0977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30019 9482SOL OW30017 6.307 0.157 2.489 0.4476 -0.3424 0.7728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30020 9482SOL HW130018 6.367 0.217 2.434 -0.0296 0.1072 0.7363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30021 9482SOL HW230019 6.307 0.189 2.584 -0.9092 0.6093 0.4903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30022 9483SOL OW30020 5.781 0.874 3.134 0.1064 -0.6127 0.2141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30023 9483SOL HW130021 5.880 0.858 3.137 0.3408 0.5735 -0.5200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30024 9483SOL HW230022 5.761 0.940 3.062 -1.2808 -1.1955 0.0512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30025 9484SOL OW30023 7.074 1.116 2.118 -0.3343 -0.6499 0.3900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30026 9484SOL HW130024 7.008 1.065 2.173 1.4138 -2.6625 0.7618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30027 9484SOL HW230025 7.165 1.077 2.132 0.7413 1.1834 -1.1131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30028 9485SOL OW30026 6.849 2.200 3.138 0.0596 -0.3336 0.1247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30029 9485SOL HW130027 6.875 2.294 3.118 0.6495 -0.2056 1.3768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30030 9485SOL HW230028 6.928 2.152 3.177 -0.0838 -1.5022 -0.9530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30031 9486SOL OW30029 5.603 0.368 3.901 0.2072 -0.5049 0.3960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30032 9486SOL HW130030 5.683 0.427 3.911 0.4970 -0.8116 -0.0692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30033 9486SOL HW230031 5.591 0.344 3.804 -1.9144 1.5732 0.0266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30034 9487SOL OW30032 7.132 1.459 2.698 0.7007 -0.1481 -0.1967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30035 9487SOL HW130033 7.126 1.434 2.795 0.7764 1.9505 0.4055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30036 9487SOL HW230034 7.134 1.377 2.642 -2.1596 -1.4541 1.4127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30037 9488SOL OW30035 0.000 2.068 2.261 0.1814 -0.3204 0.1627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30038 9488SOL HW130036 0.073 2.064 2.329 -0.8151 -0.8682 1.2117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30039 9488SOL HW230037 0.028 2.016 2.180 1.7463 1.1257 -0.2858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30040 9489SOL OW30038 6.126 0.702 2.104 -0.1977 0.2248 0.6233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30041 9489SOL HW130039 6.222 0.711 2.129 -0.1968 -0.4630 0.8661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30042 9489SOL HW230040 6.093 0.790 2.068 0.9086 0.0775 -0.8328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30043 9490SOL OW30041 6.739 0.242 3.059 -0.2592 0.1331 0.7136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30044 9490SOL HW130042 6.670 0.254 2.989 2.3358 1.1945 -1.8713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30045 9490SOL HW230043 6.758 0.329 3.103 -2.2986 -0.6254 3.3654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30046 9491SOL OW30044 7.142 1.733 2.057 -0.1395 0.4203 -0.0356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30047 9491SOL HW130045 7.207 1.808 2.043 -2.3319 2.2887 -0.9695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30048 9491SOL HW230046 7.069 1.738 1.988 -1.7647 -1.0153 1.4468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30049 9492SOL OW30047 6.339 0.581 3.286 0.1727 -0.8605 -0.1259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30050 9492SOL HW130048 6.392 0.528 3.351 -1.6140 -4.0837 -1.0918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30051 9492SOL HW230049 6.275 0.521 3.237 0.7960 1.4553 -4.2912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30052 9493SOL OW30050 6.889 0.404 3.436 -0.3436 0.2072 0.1300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30053 9493SOL HW130051 6.948 0.485 3.433 1.0901 -0.7968 0.2926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30054 9493SOL HW230052 6.944 0.322 3.421 -1.5768 -0.8466 1.1381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30055 9494SOL OW30053 6.528 0.880 3.428 0.8916 0.6987 0.1920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30056 9494SOL HW130054 6.628 0.879 3.439 0.9654 0.3633 -0.4705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30057 9494SOL HW230055 6.505 0.917 3.338 0.4684 -0.4391 -0.1799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30058 9495SOL OW30056 6.563 0.265 2.858 0.1934 0.0194 -0.6036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30059 9495SOL HW130057 6.469 0.231 2.862 -0.5122 1.4385 -3.0192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30060 9495SOL HW230058 6.618 0.202 2.803 1.3244 -1.9475 2.5084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30061 9496SOL OW30059 6.568 1.007 2.306 -0.1395 -0.3598 -0.2491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30062 9496SOL HW130060 6.605 0.970 2.391 0.7776 -1.6876 -1.1781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30063 9496SOL HW230061 6.468 1.002 2.309 -0.1817 0.7851 1.2238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30064 9497SOL OW30062 5.655 0.747 2.769 -0.8968 -0.1495 0.6325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30065 9497SOL HW130063 5.719 0.709 2.836 0.0672 0.1644 -0.0775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30066 9497SOL HW230064 5.570 0.772 2.814 -0.7785 -1.2150 1.4809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30067 9498SOL OW30065 5.583 1.711 3.559 0.3412 -0.4417 -0.1378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30068 9498SOL HW130066 5.659 1.738 3.618 -1.4741 1.5649 1.4877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30069 9498SOL HW230067 5.515 1.661 3.613 -0.6898 0.1350 -0.8399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30070 9499SOL OW30068 6.361 0.446 2.220 0.4333 -0.1560 0.6417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30071 9499SOL HW130069 6.361 0.545 2.234 -1.3583 -0.2528 1.6477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30072 9499SOL HW230070 6.408 0.424 2.135 0.9813 1.5446 0.4775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30073 9500SOL OW30071 7.018 0.619 3.482 -0.0552 -0.1264 0.1834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30074 9500SOL HW130072 7.013 0.673 3.566 -0.3947 0.3522 -0.1366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30075 9500SOL HW230073 7.114 0.600 3.460 0.2620 2.3799 -0.9580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30076 9501SOL OW30074 7.141 1.313 2.406 0.0848 -0.4744 -0.0975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30077 9501SOL HW130075 7.128 1.291 2.309 -1.5317 1.7246 -0.4691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30078 9501SOL HW230076 7.200 1.393 2.414 -0.5063 -0.1047 0.6688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30079 9502SOL OW30077 6.253 0.273 2.739 -0.3174 -0.5079 0.1289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30080 9502SOL HW130078 6.226 0.192 2.791 -0.5763 0.2082 1.1520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30081 9502SOL HW230079 6.181 0.343 2.747 0.2876 0.1470 -0.0044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30082 9503SOL OW30080 6.524 1.538 2.247 -0.0239 -0.1398 -0.0218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30083 9503SOL HW130081 6.443 1.597 2.241 -0.1288 -0.2292 0.4334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30084 9503SOL HW230082 6.606 1.592 2.230 -0.0976 0.2133 0.6702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30085 9504SOL OW30083 5.885 1.803 2.754 0.3803 -0.3137 0.3309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30086 9504SOL HW130084 5.941 1.724 2.729 0.4958 -0.1466 0.0654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30087 9504SOL HW230085 5.943 1.883 2.768 0.2091 -0.1409 0.0605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30088 9505SOL OW30086 7.256 1.109 2.595 0.1541 -0.1996 0.2585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30089 9505SOL HW130087 7.244 1.024 2.545 -2.3232 -0.2262 0.7470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30090 9505SOL HW230088 7.233 1.186 2.536 -1.0644 -0.1254 0.7963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30091 9506SOL OW30089 6.717 1.450 3.428 0.3269 -0.3943 -0.1784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30092 9506SOL HW130090 6.699 1.403 3.515 0.1249 0.9963 0.5714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30093 9506SOL HW230091 6.639 1.438 3.367 -0.0069 -0.4851 0.2576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30094 9507SOL OW30092 5.825 0.910 2.144 -0.7318 0.4870 -0.3264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30095 9507SOL HW130093 5.902 0.935 2.086 0.5274 -0.8580 0.6793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30096 9507SOL HW230094 5.780 0.829 2.107 -1.4829 1.0779 -0.7356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30097 9508SOL OW30095 7.168 0.849 2.925 0.3193 -0.1243 0.4336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30098 9508SOL HW130096 7.094 0.802 2.878 0.1684 -0.5319 1.0679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30099 9508SOL HW230097 7.189 0.801 3.011 1.9467 -0.5826 -0.1730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30100 9509SOL OW30098 6.168 1.397 3.489 -0.1658 0.5933 -0.5128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30101 9509SOL HW130099 6.118 1.340 3.424 -0.9395 -1.9283 2.0844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30102 9509SOL HW230100 6.266 1.387 3.473 -0.3508 0.8460 -1.9057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30103 9510SOL OW30101 6.524 1.944 2.045 0.2584 -0.4921 -0.5363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30104 9510SOL HW130102 6.486 1.870 2.100 0.6304 -1.9792 -2.1899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30105 9510SOL HW230103 6.567 1.906 1.963 1.7546 1.4489 -0.7296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30106 9511SOL OW30104 5.829 0.272 3.639 -0.8303 -0.2941 -0.4696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30107 9511SOL HW130105 5.734 0.298 3.651 -0.5638 -0.5672 3.2686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30108 9511SOL HW230106 5.838 0.172 3.646 -0.2380 -0.2387 -0.3495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30109 9512SOL OW30107 5.901 1.906 2.118 -0.1206 0.3294 -0.2038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30110 9512SOL HW130108 5.955 1.890 2.201 -0.2992 -1.4061 -0.3836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30111 9512SOL HW230109 5.912 1.829 2.056 -1.2469 0.8685 -1.1127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30112 9513SOL OW30110 6.956 0.335 2.596 0.0013 0.1207 -0.3300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30113 9513SOL HW130111 7.025 0.400 2.563 0.2146 0.4140 0.6813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30114 9513SOL HW230112 6.923 0.364 2.686 -1.9565 0.3797 -1.0688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30115 9514SOL OW30113 5.663 1.762 3.155 0.0874 -0.2150 0.3580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30116 9514SOL HW130114 5.745 1.705 3.154 0.4512 0.2286 -2.3291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30117 9514SOL HW230115 5.590 1.715 3.105 -0.9779 -0.1312 1.7871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30118 9515SOL OW30116 6.666 1.596 2.767 -0.2658 -0.2851 0.2801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30119 9515SOL HW130117 6.741 1.563 2.709 0.3430 0.1223 0.8292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30120 9515SOL HW230118 6.591 1.628 2.709 -0.0367 -0.7347 -0.2739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30121 9516SOL OW30119 5.982 0.532 2.494 0.1874 -0.6453 -0.1961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30122 9516SOL HW130120 6.024 0.477 2.422 -0.6867 0.6426 -1.7416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30123 9516SOL HW230121 5.886 0.550 2.471 0.5865 2.0500 -0.0994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30124 9517SOL OW30122 6.908 7.218 3.524 0.6647 -0.2825 0.4927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30125 9517SOL HW130123 6.912 7.211 3.624 0.1503 -1.1800 0.4577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30126 9517SOL HW230124 6.815 7.240 3.495 0.4736 -1.4686 0.1476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30127 9518SOL OW30125 6.224 0.047 1.691 0.8414 -0.2233 0.2341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30128 9518SOL HW130126 6.322 0.049 1.710 0.9526 3.3564 -0.1493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30129 9518SOL HW230127 6.210 0.040 1.592 0.8215 1.2946 0.1069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30130 9519SOL OW30128 6.122 0.094 3.569 -0.7366 -0.1149 0.5795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30131 9519SOL HW130129 6.208 0.043 3.561 0.0942 1.2312 0.7080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30132 9519SOL HW230130 6.140 0.183 3.610 -1.7116 1.3725 -1.9655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30133 9520SOL OW30131 6.407 1.457 2.874 0.4249 -0.1531 0.6163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30134 9520SOL HW130132 6.379 1.387 2.808 0.8975 -1.5839 1.8882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30135 9520SOL HW230133 6.499 1.488 2.852 0.1491 0.2251 -0.0552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30136 9521SOL OW30134 6.803 0.877 3.475 0.5642 0.2150 -0.1849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30137 9521SOL HW130135 6.838 0.859 3.567 0.8924 0.8473 -0.1817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30138 9521SOL HW230136 6.873 0.852 3.407 0.6014 0.4321 -0.2281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30139 9522SOL OW30137 6.314 1.302 2.656 0.5296 0.2892 0.0370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30140 9522SOL HW130138 6.396 1.348 2.620 0.2109 4.0845 3.3932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30141 9522SOL HW230139 6.238 1.315 2.593 1.8133 -0.9550 -1.8675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30142 9523SOL OW30140 6.637 0.509 2.765 0.7038 -0.1237 -0.5874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30143 9523SOL HW130141 6.547 0.516 2.722 1.2854 0.5881 -1.7225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30144 9523SOL HW230142 6.649 0.417 2.803 -0.4047 -0.2976 -0.6231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30145 9524SOL OW30143 6.092 0.076 2.051 -0.4956 -0.4167 0.2799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30146 9524SOL HW130144 6.042 -0.000 2.011 -0.6219 -0.4575 0.5281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30147 9524SOL HW230145 6.061 0.162 2.010 1.0922 -0.6506 -1.5011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30148 9525SOL OW30146 6.977 1.302 1.945 -0.3652 -0.5125 -1.3469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30149 9525SOL HW130147 7.023 1.227 1.993 1.2425 0.2491 -1.6405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30150 9525SOL HW230148 6.900 1.334 2.001 -1.2428 -2.4928 -1.3221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30151 9526SOL OW30149 5.850 0.194 1.771 -0.6337 0.1257 0.3907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30152 9526SOL HW130150 5.835 0.273 1.712 0.6062 -1.1785 -1.8149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30153 9526SOL HW230151 5.919 0.216 1.840 0.6844 0.6068 -1.0353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30154 9527SOL OW30152 6.503 0.336 2.436 0.4589 0.3478 0.1504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30155 9527SOL HW130153 6.472 0.375 2.349 1.3647 0.4984 -0.1187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30156 9527SOL HW230154 6.583 0.387 2.468 -0.5027 0.9854 1.6269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30157 9528SOL OW30155 6.644 0.274 3.421 -0.3442 -0.4291 -0.0837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30158 9528SOL HW130156 6.561 0.325 3.444 -0.7180 -1.4786 1.0028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30159 9528SOL HW230157 6.723 0.335 3.425 -0.7620 0.0655 1.3054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30160 9529SOL OW30158 6.855 1.474 2.626 0.1982 -0.7447 0.6708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30161 9529SOL HW130159 6.861 1.392 2.569 -1.8251 1.4475 -3.0929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30162 9529SOL HW230160 6.946 1.511 2.640 0.8118 -1.4858 -1.0632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30163 9530SOL OW30161 6.007 1.044 2.519 -0.0225 0.0076 0.1828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30164 9530SOL HW130162 5.981 0.956 2.558 -1.8803 0.8251 0.8773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30165 9530SOL HW230163 5.953 1.061 2.437 1.5312 -0.2212 -0.9230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30166 9531SOL OW30164 6.873 1.975 2.577 0.5572 0.1427 0.7049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30167 9531SOL HW130165 6.947 1.959 2.512 0.6124 -1.4538 1.1035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30168 9531SOL HW230166 6.787 1.940 2.540 0.5456 -0.5732 1.3691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30169 9532SOL OW30167 6.409 0.719 2.193 0.3120 0.3301 0.5441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30170 9532SOL HW130168 6.420 0.772 2.108 2.0779 -0.4731 0.2206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30171 9532SOL HW230169 6.500 0.693 2.227 -0.4238 -3.4675 0.0481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30172 9533SOL OW30170 5.752 0.632 3.013 -0.1330 0.0444 -0.2290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30173 9533SOL HW130171 5.816 0.564 3.050 -1.2907 -1.0088 -0.1103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30174 9533SOL HW230172 5.745 0.709 3.077 -0.1882 -0.5783 0.5246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30175 9534SOL OW30173 6.164 0.061 2.864 -0.1397 -0.6548 0.4678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30176 9534SOL HW130174 6.120 -0.016 2.819 -0.9612 -0.8139 1.5230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30177 9534SOL HW230175 6.103 0.101 2.932 0.0676 1.2608 -0.3886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30178 9535SOL OW30176 6.396 0.533 2.631 -0.1831 0.1659 0.1244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30179 9535SOL HW130177 6.347 0.593 2.568 -0.2007 -0.2579 -0.2672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30180 9535SOL HW230178 6.384 0.438 2.603 0.7259 0.0433 0.1165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30181 9536SOL OW30179 6.705 7.064 2.429 0.0189 0.0411 -0.3487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30182 9536SOL HW130180 6.760 7.147 2.418 0.6080 0.0700 2.2693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30183 9536SOL HW230181 6.610 7.089 2.450 -0.6225 -0.0155 -2.8776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30184 9537SOL OW30182 6.899 1.193 2.586 0.1397 -0.3676 0.3474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30185 9537SOL HW130183 6.966 1.191 2.512 -0.6537 -1.2958 -0.3770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30186 9537SOL HW230184 6.890 1.101 2.626 -2.5170 -0.9304 -1.2885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30187 9538SOL OW30185 6.979 0.602 3.096 0.0600 0.2028 0.4536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30188 9538SOL HW130186 6.898 0.559 3.135 -0.1424 0.5760 0.4520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30189 9538SOL HW230187 7.060 0.549 3.120 -0.2318 -0.4366 0.0628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30190 9539SOL OW30188 0.227 0.834 2.284 0.3675 0.3353 -0.1240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30191 9539SOL HW130189 0.248 0.816 2.188 -0.2144 -0.8596 -0.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30192 9539SOL HW230190 0.227 0.748 2.335 -2.5234 0.4855 0.3038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30193 9540SOL OW30191 5.930 1.705 1.958 0.4541 -0.6774 0.7754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30194 9540SOL HW130192 5.917 1.609 1.981 0.4298 -0.6104 1.0518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30195 9540SOL HW230193 5.892 1.723 1.868 -0.6655 -0.6738 1.2237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30196 9541SOL OW30194 6.823 0.687 2.133 -0.2746 -0.5484 0.5245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30197 9541SOL HW130195 6.782 0.744 2.205 -0.0658 -0.5510 0.6478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30198 9541SOL HW230196 6.874 0.612 2.176 -1.0835 -1.2104 0.3551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30199 9542SOL OW30197 6.033 0.300 1.936 0.7055 0.6234 -0.5421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30200 9542SOL HW130198 6.106 0.330 1.875 2.1164 0.6170 1.0799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30201 9542SOL HW230199 5.989 0.381 1.976 0.9880 0.5941 -0.1778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30202 9543SOL OW30200 6.643 1.276 3.163 -0.1856 0.7944 0.9040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30203 9543SOL HW130201 6.630 1.222 3.080 -1.2096 1.3456 0.6748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30204 9543SOL HW230202 6.569 1.344 3.169 0.2441 1.1827 1.9341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30205 9544SOL OW30203 7.167 1.637 3.464 0.0221 -0.3012 -0.2666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30206 9544SOL HW130204 7.149 1.733 3.440 -3.7118 -1.3480 -2.2715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30207 9544SOL HW230205 7.173 1.629 3.564 0.8658 2.0025 -0.0507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30208 9545SOL OW30206 6.804 0.961 3.137 -0.1805 0.3488 -0.0782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30209 9545SOL HW130207 6.875 0.897 3.166 -0.1183 -0.7045 -2.3314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30210 9545SOL HW230208 6.843 1.027 3.072 -1.1781 -0.1295 -1.2106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30211 9546SOL OW30209 6.918 1.163 2.976 -0.0929 0.5566 -0.2583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30212 9546SOL HW130210 6.990 1.228 2.953 1.4472 -1.0873 -0.3647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30213 9546SOL HW230211 6.889 1.115 2.893 0.4487 -0.4783 0.1324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30214 9547SOL OW30212 6.333 0.150 3.097 0.5835 0.1346 -0.2034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30215 9547SOL HW130213 6.297 0.077 3.039 -3.8197 1.1086 0.8687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30216 9547SOL HW230214 6.405 0.114 3.156 -1.3382 -3.4244 0.2409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30217 9548SOL OW30215 6.506 1.073 3.628 -0.0356 0.3900 0.4405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30218 9548SOL HW130216 6.419 1.120 3.613 -1.2731 -2.3591 -2.0642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30219 9548SOL HW230217 6.509 0.990 3.572 3.8546 -0.1443 1.1594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30220 9549SOL OW30218 6.182 1.125 2.178 0.1770 -0.2885 0.1659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30221 9549SOL HW130219 6.213 1.054 2.241 -0.2340 -0.6098 0.0073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30222 9549SOL HW230220 6.242 1.205 2.185 1.2489 -1.0194 -0.3716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30223 9550SOL OW30221 6.030 0.734 3.148 -0.0707 0.2901 -0.4165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30224 9550SOL HW130222 6.078 0.763 3.231 1.0766 0.1159 -1.0073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30225 9550SOL HW230223 5.998 0.640 3.159 2.8400 -0.9083 -1.2793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30226 9551SOL OW30224 6.741 0.491 3.199 0.1341 -0.3656 -0.5732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30227 9551SOL HW130225 6.674 0.565 3.187 -2.0303 -2.0972 0.2308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30228 9551SOL HW230226 6.777 0.494 3.293 -1.7850 -1.6689 0.2780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30229 9552SOL OW30227 5.579 1.460 3.209 -0.3971 0.3187 -0.5628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30230 9552SOL HW130228 5.529 1.536 3.167 0.1309 -0.2387 -2.2451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30231 9552SOL HW230229 5.677 1.478 3.204 -0.2652 -0.4974 -1.0188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30232 9553SOL OW30230 5.909 1.119 2.273 -0.0884 -0.4268 -0.3632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30233 9553SOL HW130231 5.996 1.147 2.232 -0.4511 0.0048 -0.8497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30234 9553SOL HW230232 5.879 1.033 2.233 0.5001 -0.9873 0.3724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30235 9554SOL OW30233 6.098 0.517 2.753 -0.4770 -0.2826 -0.0431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30236 9554SOL HW130234 6.067 0.526 2.659 2.2242 -1.0402 -1.1088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30237 9554SOL HW230235 6.132 0.605 2.785 -0.0166 -0.3464 -0.3417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30238 9555SOL OW30236 6.791 1.631 2.264 -0.2935 -0.1409 -0.3470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30239 9555SOL HW130237 6.789 1.724 2.226 -1.8053 1.2187 2.7083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30240 9555SOL HW230238 6.879 1.616 2.309 -0.3819 0.1654 -0.0683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30241 9556SOL OW30239 6.861 1.502 2.990 0.1960 0.1630 -0.3677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30242 9556SOL HW130240 6.843 1.462 3.079 0.6687 1.3987 0.3072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30243 9556SOL HW230241 6.777 1.500 2.935 -1.2345 2.8263 1.5117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30244 9557SOL OW30242 6.981 0.581 2.354 -0.1828 -0.3323 0.0526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30245 9557SOL HW130243 6.966 0.677 2.375 -2.2131 -1.0367 2.3441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30246 9557SOL HW230244 7.069 0.551 2.392 0.2126 0.4796 -0.2109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30247 9558SOL OW30245 5.855 1.528 3.155 -0.4187 -0.1445 -0.9035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30248 9558SOL HW130246 5.881 1.493 3.065 1.7461 -0.3019 -0.2879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30249 9558SOL HW230247 5.938 1.542 3.210 -1.6385 0.5746 0.8430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30250 9559SOL OW30248 5.961 0.629 3.480 0.4589 -0.3551 -0.2638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30251 9559SOL HW130249 6.047 0.679 3.469 -0.2101 0.9432 0.2034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30252 9559SOL HW230250 5.979 0.530 3.476 1.8685 -0.1007 -0.8122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30253 9560SOL OW30251 7.082 0.944 3.574 -0.3514 -0.1738 0.1094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30254 9560SOL HW130252 7.001 1.000 3.555 -0.7189 -0.7600 -0.0520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30255 9560SOL HW230253 7.139 0.940 3.492 0.6100 1.4610 0.6391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30256 9561SOL OW30254 6.369 7.241 3.490 -0.0540 0.9638 0.1034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30257 9561SOL HW130255 6.416 7.223 3.403 -2.1519 0.0318 -0.8890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30258 9561SOL HW230256 6.432 7.288 3.552 3.5258 -3.3227 0.2678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30259 9562SOL OW30257 6.052 0.408 3.751 -0.1189 0.0626 0.1135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30260 9562SOL HW130258 5.964 0.368 3.727 0.8728 -1.9077 -0.4293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30261 9562SOL HW230259 6.039 0.474 3.825 -2.2243 0.9182 -0.9492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30262 9563SOL OW30260 6.081 0.869 2.909 0.0338 -0.1898 -0.3629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30263 9563SOL HW130261 6.143 0.943 2.933 0.2348 0.0710 -1.6298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30264 9563SOL HW230262 6.063 0.813 2.990 -0.7833 1.7119 0.8480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30265 9564SOL OW30263 6.923 0.738 2.886 -0.7811 -0.4687 0.1553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30266 9564SOL HW130264 6.825 0.757 2.895 -0.4739 1.8752 -0.6493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30267 9564SOL HW230265 6.954 0.681 2.962 -3.0545 -2.7484 -0.4848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30268 9565SOL OW30266 6.648 0.723 2.337 -0.2638 0.2015 -0.1693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30269 9565SOL HW130267 6.671 0.639 2.387 -0.8318 0.6587 0.8841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30270 9565SOL HW230268 6.633 0.798 2.401 -2.6500 0.4177 -0.8645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30271 9566SOL OW30269 5.943 0.140 3.056 -0.2104 -0.8188 0.4646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30272 9566SOL HW130270 5.977 0.142 3.150 0.6402 -0.3208 0.1567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30273 9566SOL HW230271 5.849 0.176 3.053 -0.0820 -0.4297 1.0612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30274 9567SOL OW30272 5.636 1.190 3.179 0.4944 0.0619 0.0752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30275 9567SOL HW130273 5.710 1.173 3.244 0.8092 0.6889 -0.1076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30276 9567SOL HW230274 5.607 1.286 3.186 0.3038 0.0507 -0.4752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30277 9568SOL OW30275 6.322 0.622 2.923 -0.0264 0.6514 0.3563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30278 9568SOL HW130276 6.366 0.649 2.838 -0.2106 -0.2335 -0.0257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30279 9568SOL HW230277 6.388 0.627 2.998 0.3835 0.5659 0.0045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30280 9569SOL OW30278 5.893 0.104 2.281 1.1437 -0.2884 -0.5073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30281 9569SOL HW130279 5.919 0.079 2.187 -0.5997 -0.9626 -0.8416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30282 9569SOL HW230280 5.871 0.201 2.285 0.7948 -0.3521 -0.8933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30283 9570SOL OW30281 7.128 0.422 2.137 0.3301 -0.4451 0.6964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30284 9570SOL HW130282 7.102 0.327 2.156 1.9562 -0.6606 2.1808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30285 9570SOL HW230283 7.105 0.479 2.216 -1.5577 0.6471 -0.5774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30286 9571SOL OW30284 6.648 0.739 2.897 -0.7594 0.1006 0.1733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30287 9571SOL HW130285 6.612 0.706 2.984 1.2356 -0.0191 1.0217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30288 9571SOL HW230286 6.674 0.661 2.840 1.5727 0.0716 1.1378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30289 9572SOL OW30287 6.410 1.487 3.595 0.6765 0.1596 -0.3998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30290 9572SOL HW130288 6.445 1.558 3.533 -0.0301 0.7601 -0.1271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30291 9572SOL HW230289 6.487 1.442 3.640 1.1963 -0.2886 -1.7048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30292 9573SOL OW30290 5.877 0.825 3.673 -0.3694 -0.4677 0.6996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30293 9573SOL HW130291 5.957 0.878 3.703 -1.3461 1.7965 -0.4610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30294 9573SOL HW230292 5.906 0.759 3.603 0.3780 1.1378 -0.5867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30295 9574SOL OW30293 6.608 0.353 2.058 0.2846 -0.3536 0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30296 9574SOL HW130294 6.650 0.269 2.093 -0.0396 -0.1087 1.1819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30297 9574SOL HW230295 6.679 0.421 2.041 0.7060 -1.2677 -2.0461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30298 9575SOL OW30296 6.825 0.932 1.925 0.4406 -0.3157 0.0043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30299 9575SOL HW130297 6.900 0.879 1.964 0.7104 -1.1331 -1.5531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30300 9575SOL HW230298 6.847 0.958 1.831 0.5004 2.9549 0.7921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30301 9576SOL OW30299 6.542 1.442 2.521 0.6463 -0.0241 -0.0597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30302 9576SOL HW130300 6.577 1.356 2.559 0.5719 0.0261 0.1266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30303 9576SOL HW230301 6.583 1.458 2.432 0.9364 -0.0752 0.0621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30304 9577SOL OW30302 5.941 0.822 2.660 0.5775 0.0466 0.0712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30305 9577SOL HW130303 6.005 0.825 2.737 -1.3667 -0.5924 1.8009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30306 9577SOL HW230304 5.848 0.809 2.694 -0.5505 1.1305 -2.3416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30307 9578SOL OW30305 5.870 0.415 2.855 -0.3386 0.6390 0.2648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30308 9578SOL HW130306 5.909 0.416 2.948 0.2550 -1.1932 0.0714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30309 9578SOL HW230307 5.927 0.470 2.795 0.8964 -0.4297 0.4165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30310 9579SOL OW30308 6.621 0.096 3.624 0.0345 -0.3592 -0.3703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30311 9579SOL HW130309 6.660 0.157 3.693 0.5156 -1.1110 0.0415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30312 9579SOL HW230310 6.625 0.140 3.534 -1.5105 1.0367 0.2019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30313 9580SOL OW30311 6.575 0.055 3.249 0.0629 0.0043 0.2370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30314 9580SOL HW130312 6.669 0.030 3.224 -0.3571 0.5817 -2.2132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30315 9580SOL HW230313 6.575 0.146 3.291 0.4818 0.8001 -1.3911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30316 9581SOL OW30314 5.557 1.194 2.109 -0.0889 0.1664 0.6124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30317 9581SOL HW130315 5.536 1.267 2.175 1.1995 -1.6714 3.2675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30318 9581SOL HW230316 5.529 1.106 2.148 1.5489 -1.0962 -0.9284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30319 9582SOL OW30317 5.624 1.835 2.791 0.1124 0.0596 0.4518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30320 9582SOL HW130318 5.561 1.758 2.784 -0.4182 0.5265 0.0721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30321 9582SOL HW230319 5.718 1.800 2.790 -0.1172 -0.6955 1.6478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30322 9583SOL OW30320 6.032 1.566 2.671 -0.3392 0.6253 0.1318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30323 9583SOL HW130321 6.109 1.590 2.731 -0.3279 1.9584 -0.4054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30324 9583SOL HW230322 6.057 1.485 2.617 0.3447 0.5147 0.5904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30325 9584SOL OW30323 6.529 0.686 3.137 0.0753 0.2798 0.0779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30326 9584SOL HW130324 6.519 0.784 3.157 -2.6165 -0.1645 1.3166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30327 9584SOL HW230325 6.463 0.634 3.191 1.8491 -2.3250 -0.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30328 9585SOL OW30326 5.557 0.426 3.004 -1.1883 -0.3508 -0.3686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30329 9585SOL HW130327 5.550 0.369 2.922 1.5898 -2.4599 0.7306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30330 9585SOL HW230328 5.630 0.493 2.993 -0.0148 -1.4071 0.7582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30331 9586SOL OW30329 5.658 0.617 3.495 -0.1864 -0.1128 -0.0678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30332 9586SOL HW130330 5.757 0.612 3.489 0.0431 1.6840 1.4711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30333 9586SOL HW230331 5.622 0.675 3.422 -0.1487 -0.8490 -0.6888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30334 9587SOL OW30332 6.866 1.123 3.616 -0.4208 0.1311 -0.2562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30335 9587SOL HW130333 6.830 1.195 3.675 0.3836 0.5027 -0.2132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30336 9587SOL HW230334 6.824 1.130 3.526 -0.7179 0.3387 -0.1031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30337 9588SOL OW30335 6.316 0.936 2.320 -0.8650 0.2734 0.2856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30338 9588SOL HW130336 6.286 0.934 2.416 0.5304 -0.3113 0.7288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30339 9588SOL HW230337 6.334 0.843 2.289 2.0890 0.6616 0.5932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30340 9589SOL OW30338 5.753 1.452 3.692 -0.0383 -0.0480 0.0862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30341 9589SOL HW130339 5.717 1.490 3.777 0.1760 -0.0056 0.1598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30342 9589SOL HW230340 5.801 1.366 3.712 -3.2018 -2.0997 -0.4623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30343 9590SOL OW30341 6.215 0.421 3.105 0.9504 -1.4566 0.1207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30344 9590SOL HW130342 6.266 0.336 3.090 -0.7697 -2.2724 -1.5374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30345 9590SOL HW230343 6.238 0.487 3.033 -0.1553 -1.7723 -0.5458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30346 9591SOL OW30344 6.429 1.815 3.200 -0.7139 -0.7238 -0.5114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30347 9591SOL HW130345 6.483 1.782 3.122 0.6395 0.6051 -0.1948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30348 9591SOL HW230346 6.380 1.898 3.173 0.7528 0.4613 0.3629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30349 9592SOL OW30347 5.954 0.517 2.051 0.0790 -0.1399 0.1863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30350 9592SOL HW130348 6.027 0.586 2.051 0.2557 -0.3209 0.4147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30351 9592SOL HW230349 5.866 0.561 2.038 0.1983 0.1227 0.2620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30352 9593SOL OW30350 5.839 1.066 3.376 0.3733 0.3911 0.3173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30353 9593SOL HW130351 5.813 1.076 3.472 0.6341 0.4966 0.3769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30354 9593SOL HW230352 5.799 0.982 3.339 1.0604 -0.1476 0.7814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30355 9594SOL OW30353 7.093 1.167 3.287 0.2639 0.1430 -0.4618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30356 9594SOL HW130354 7.060 1.147 3.194 1.5571 1.5611 -1.2783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30357 9594SOL HW230355 7.021 1.210 3.340 -0.2562 0.0362 -1.0742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30358 9595SOL OW30356 6.825 1.020 2.196 -0.1477 -0.2649 0.3312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30359 9595SOL HW130357 6.732 1.027 2.232 -0.1934 2.0859 -0.1137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30360 9595SOL HW230358 6.823 1.032 2.097 0.6770 0.3296 0.3806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30361 9596SOL OW30359 7.132 1.342 2.938 0.5623 0.2682 -0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30362 9596SOL HW130360 7.212 1.283 2.925 0.0784 -0.5738 0.5883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30363 9596SOL HW230361 7.145 1.399 3.018 0.3053 -0.0738 0.1347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30364 9597SOL OW30362 7.050 1.735 3.009 0.1001 -0.4451 0.1235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30365 9597SOL HW130363 7.045 1.808 2.942 1.3190 0.6994 1.2057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30366 9597SOL HW230364 7.001 1.655 2.976 -1.4900 0.9333 -0.9852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30367 9598SOL OW30365 5.704 1.057 2.964 0.0284 0.2967 -0.1752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30368 9598SOL HW130366 5.690 1.125 3.036 0.5603 -0.1699 0.3779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30369 9598SOL HW230367 5.615 1.032 2.924 -0.0710 2.3603 -1.3921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30370 9599SOL OW30368 6.529 1.683 3.403 -0.0292 0.5283 0.1836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30371 9599SOL HW130369 6.612 1.724 3.441 -0.1907 1.0202 0.0172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30372 9599SOL HW230370 6.483 1.750 3.344 -0.1596 0.0191 -0.3056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30373 9600SOL OW30371 7.058 1.686 2.297 0.5554 0.6563 -0.1393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30374 9600SOL HW130372 7.080 1.710 2.202 -0.9180 -1.5454 -1.1001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30375 9600SOL HW230373 7.129 1.626 2.333 0.4931 0.5091 -0.2623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30376 9601SOL OW30374 5.669 1.568 3.919 0.5297 0.4416 0.3553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30377 9601SOL HW130375 5.586 1.527 3.957 0.0051 0.9126 -0.2486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30378 9601SOL HW230376 5.728 1.599 3.994 0.1849 0.0697 0.7925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30379 9602SOL OW30377 6.954 0.865 2.404 -0.2324 0.1073 0.3434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30380 9602SOL HW130378 7.052 0.874 2.424 -0.4686 1.7963 0.9297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30381 9602SOL HW230379 6.931 0.921 2.325 -0.6777 -0.5061 0.0386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30382 9603SOL OW30380 6.376 1.206 3.144 -0.3869 -0.1598 -0.2113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30383 9603SOL HW130381 6.412 1.274 3.207 0.1027 -0.9706 0.3962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30384 9603SOL HW230382 6.281 1.229 3.122 -0.0799 0.9956 -0.4248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30385 9604SOL OW30383 6.187 1.778 2.009 0.2681 -0.0630 -0.1451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30386 9604SOL HW130384 6.238 1.772 1.923 -0.7872 -0.5635 -0.7519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30387 9604SOL HW230385 6.095 1.742 1.996 -0.7310 2.0523 0.5494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30388 9605SOL OW30386 5.347 7.156 2.315 0.1626 -0.6999 -0.2415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30389 9605SOL HW130387 5.358 7.079 2.253 -1.4969 -0.9641 -0.2616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30390 9605SOL HW230388 5.343 7.123 2.410 0.6307 -0.5137 -0.1556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30391 9606SOL OW30389 6.751 1.592 1.813 -0.7748 -0.1823 -0.5006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30392 9606SOL HW130390 6.754 1.528 1.889 -1.1813 0.0557 -0.2797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30393 9606SOL HW230391 6.708 1.549 1.734 0.1028 -0.5976 -0.7674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30394 9607SOL OW30392 6.515 0.947 3.154 0.8805 0.2856 -0.1729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30395 9607SOL HW130393 6.611 0.966 3.133 0.7505 1.6209 0.3884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30396 9607SOL HW230394 6.463 1.032 3.156 -0.5361 -0.5095 -1.4144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30397 9608SOL OW30395 6.584 1.188 2.119 -0.4911 0.1048 -0.3074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30398 9608SOL HW130396 6.588 1.136 2.033 1.2675 0.3602 -0.4072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30399 9608SOL HW230397 6.562 1.125 2.194 -0.6553 -0.3654 -0.7380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30400 9609SOL OW30398 7.046 1.752 1.800 -0.2266 0.3360 0.0794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30401 9609SOL HW130399 6.969 1.700 1.764 0.4165 -0.9647 0.5225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30402 9609SOL HW230400 7.101 1.788 1.725 -0.5284 0.1344 -0.2382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30403 9610SOL OW30401 6.011 1.262 3.326 0.5847 0.1969 0.0175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30404 9610SOL HW130402 6.016 1.261 3.226 2.0119 0.6291 0.0571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30405 9610SOL HW230403 5.948 1.191 3.357 1.6273 -1.2990 -1.1410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30406 9611SOL OW30404 6.639 1.196 2.661 0.0234 0.3784 0.3381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30407 9611SOL HW130405 6.632 1.151 2.750 0.8347 3.2538 1.9696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30408 9611SOL HW230406 6.735 1.201 2.634 -0.0623 0.9638 0.1264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30409 9612SOL OW30407 6.720 0.056 2.746 -0.4768 -0.2593 -0.0968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30410 9612SOL HW130408 6.743 0.028 2.653 -2.1361 -0.8245 -0.3695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30411 9612SOL HW230409 6.715 -0.025 2.805 0.2299 0.0701 0.4238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30412 9613SOL OW30410 6.075 1.406 2.233 -0.3727 0.9401 0.0998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30413 9613SOL HW130411 6.159 1.411 2.180 -0.3776 1.2342 0.1155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30414 9613SOL HW230412 5.999 1.383 2.172 -0.5281 2.1426 -0.2026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30415 9614SOL OW30413 5.857 1.435 2.037 0.3128 0.6209 0.0263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30416 9614SOL HW130414 5.844 1.342 2.002 0.5580 0.4874 0.2918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30417 9614SOL HW230415 5.779 1.460 2.095 0.2525 0.5789 -0.0357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30418 9615SOL OW30416 5.744 1.046 3.632 -0.0562 0.5272 -0.0648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30419 9615SOL HW130417 5.644 1.052 3.632 -0.0831 0.2983 -0.8532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30420 9615SOL HW230418 5.772 0.950 3.637 0.1485 0.6414 1.1613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30421 9616SOL OW30419 6.077 0.188 3.306 0.0992 0.6348 0.3456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30422 9616SOL HW130420 6.160 0.164 3.255 -0.7549 -0.3174 -0.6536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30423 9616SOL HW230421 6.085 0.156 3.401 0.2099 -0.9878 -0.1855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30424 9617SOL OW30422 5.339 0.465 1.877 -0.3012 -0.8911 -0.7143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30425 9617SOL HW130423 5.262 0.527 1.889 -1.1311 -1.8774 -0.8751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30426 9617SOL HW230424 5.361 0.457 1.780 0.3159 -0.2515 -0.6354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30427 9618SOL OW30425 7.006 0.817 3.250 0.3490 0.9292 -0.2972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30428 9618SOL HW130426 7.094 0.813 3.298 0.3893 -0.4069 -0.4387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30429 9618SOL HW230427 6.999 0.740 3.188 -1.5019 0.1952 0.7466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30430 9619SOL OW30428 5.529 0.257 2.021 -0.4464 0.6215 -0.1930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30431 9619SOL HW130429 5.448 0.303 1.986 -1.2087 0.0846 0.8236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30432 9619SOL HW230430 5.593 0.240 1.946 -2.7481 -2.0532 -1.7587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30433 9620SOL OW30431 6.746 1.439 2.057 -0.2839 0.0289 -0.0972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30434 9620SOL HW130432 6.666 1.383 2.079 -0.1423 0.1910 0.8543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30435 9620SOL HW230433 6.780 1.484 2.140 0.3090 0.6028 -0.6388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30436 9621SOL OW30434 6.186 0.767 3.431 -0.2148 0.1547 0.0673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30437 9621SOL HW130435 6.254 0.715 3.381 0.1792 -1.0350 1.7610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30438 9621SOL HW230436 6.231 0.840 3.483 -0.1597 -0.7219 1.3006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30439 9622SOL OW30437 7.007 1.884 2.792 0.0126 -0.6721 -0.5959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30440 9622SOL HW130438 6.937 1.917 2.729 -0.0722 -0.4457 -0.3840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30441 9622SOL HW230439 7.066 1.818 2.745 -1.5619 -2.4377 -0.2448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30442 9623SOL OW30440 6.438 0.452 3.501 0.0589 -0.1229 0.7437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30443 9623SOL HW130441 6.486 0.532 3.538 -1.2668 0.9610 0.2165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30444 9623SOL HW230442 6.380 0.412 3.571 2.8504 -2.4900 1.9255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30445 9624SOL OW30443 6.809 1.346 3.874 0.3356 -0.0532 0.4511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30446 9624SOL HW130444 6.908 1.356 3.866 0.4518 -1.3568 -0.0111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30447 9624SOL HW230445 6.782 1.351 3.970 0.6850 1.4904 0.4958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30448 9625SOL OW30446 5.920 1.671 3.596 0.0472 -0.3638 0.1285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30449 9625SOL HW130447 5.991 1.640 3.660 -0.2810 -0.8464 0.2655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30450 9625SOL HW230448 5.840 1.612 3.605 -0.8525 0.9386 0.8758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30451 9626SOL OW30449 0.036 1.106 2.898 0.1241 0.5226 0.6947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30452 9626SOL HW130450 -0.002 1.019 2.931 -1.5090 1.4983 1.4720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30453 9626SOL HW230451 0.022 1.112 2.799 0.5618 -0.2424 0.5784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30454 9627SOL OW30452 6.720 0.512 2.494 -0.0982 -0.1458 0.5443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30455 9627SOL HW130453 6.809 0.499 2.450 -0.4759 -1.1351 0.0345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30456 9627SOL HW230454 6.733 0.521 2.593 0.5622 -0.2783 0.4785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30457 9628SOL OW30455 6.217 0.694 2.513 0.3335 -0.7175 0.1504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30458 9628SOL HW130456 6.207 0.792 2.527 -1.0410 -0.5036 -1.7918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30459 9628SOL HW230457 6.128 0.655 2.488 1.4812 -1.7592 -2.7109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30460 9629SOL OW30458 0.009 0.996 3.375 -0.7438 0.1636 -0.3895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30461 9629SOL HW130459 0.095 1.035 3.409 -0.2893 -1.3029 0.2417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30462 9629SOL HW230460 -0.051 1.069 3.345 0.3280 1.2924 0.1251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30463 9630SOL OW30461 6.252 1.269 1.798 0.2658 -0.1117 -1.0589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30464 9630SOL HW130462 6.259 1.305 1.891 0.8985 0.8932 -1.4816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30465 9630SOL HW230463 6.192 1.328 1.744 1.3967 0.4112 -1.7898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30466 9631SOL OW30464 6.219 1.655 2.870 -0.1998 -0.1795 -0.2707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30467 9631SOL HW130465 6.252 1.749 2.857 -0.6350 -0.0712 -0.6113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30468 9631SOL HW230466 6.294 1.598 2.904 -0.0651 0.4040 0.4362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30469 9632SOL OW30467 6.586 1.055 2.888 0.3657 0.2198 0.7800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30470 9632SOL HW130468 6.588 0.958 2.863 0.4767 0.6841 -1.1499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30471 9632SOL HW230469 6.494 1.091 2.873 0.8870 0.9562 -0.8600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30472 9633SOL OW30470 6.577 1.011 1.895 -0.0796 0.2338 -0.1983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30473 9633SOL HW130471 6.578 1.070 1.814 1.9079 -0.4268 -0.6833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30474 9633SOL HW230472 6.667 0.972 1.910 -0.6950 -0.5921 1.6856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30475 9634SOL OW30473 0.213 1.630 2.757 0.1896 -0.0924 -1.4720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30476 9634SOL HW130474 0.205 1.541 2.714 0.1827 -0.7376 -0.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30477 9634SOL HW230475 0.309 1.649 2.779 -0.0640 -1.0193 0.6980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30478 9635SOL OW30476 5.832 1.231 3.808 -0.1686 -0.1433 -0.1721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30479 9635SOL HW130477 5.798 1.154 3.754 -0.8423 -0.0335 0.0765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30480 9635SOL HW230478 5.787 1.231 3.898 0.1745 0.2647 0.0011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30481 9636SOL OW30479 5.750 1.278 2.487 1.0697 0.4101 0.0863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30482 9636SOL HW130480 5.790 1.247 2.573 3.4886 2.4063 -0.1940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30483 9636SOL HW230481 5.805 1.244 2.410 -0.5636 -0.6405 -0.6921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30484 9637SOL OW30482 6.465 1.478 3.220 0.1915 0.3675 0.3698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30485 9637SOL HW130483 6.390 1.511 3.163 -1.8475 -1.8413 1.5887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30486 9637SOL HW230484 6.496 1.550 3.281 -0.5906 1.4613 -0.4921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30487 9638SOL OW30485 7.194 0.242 2.965 0.2389 0.3664 -0.2598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30488 9638SOL HW130486 7.115 0.268 2.909 -0.6189 1.7027 1.4689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30489 9638SOL HW230487 7.203 0.143 2.966 -1.2835 0.1985 -0.6640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30490 9639SOL OW30488 6.063 0.385 2.296 0.0634 -0.6295 -0.0531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30491 9639SOL HW130489 6.155 0.371 2.260 0.7074 -0.4894 1.4321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30492 9639SOL HW230490 6.003 0.418 2.223 1.0420 -1.2472 -1.1767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30493 9640SOL OW30491 5.953 0.467 3.114 -0.0141 -0.1653 -0.3445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30494 9640SOL HW130492 5.909 0.439 3.200 0.0550 -1.8081 -0.8165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30495 9640SOL HW230493 6.041 0.420 3.105 -1.5470 -2.8431 -2.9008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30496 9641SOL OW30494 6.482 1.695 2.567 -0.4369 0.0155 -0.4272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30497 9641SOL HW130495 6.405 1.736 2.519 -0.7912 0.1428 0.2450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30498 9641SOL HW230496 6.477 1.596 2.560 0.0916 0.0497 -1.5403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30499 9642SOL OW30497 6.878 0.054 3.203 0.7211 0.8624 -0.4250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30500 9642SOL HW130498 6.906 -0.019 3.140 0.0176 0.7242 -0.5730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30501 9642SOL HW230499 6.826 0.123 3.153 0.4201 0.8999 -0.0595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30502 9643SOL OW30500 6.476 7.131 3.004 0.4909 0.1512 0.5865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30503 9643SOL HW130501 6.424 7.065 2.950 1.0628 -0.9453 1.3361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30504 9643SOL HW230502 6.569 7.139 2.966 1.4276 -1.8324 2.2480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30505 9644SOL OW30503 6.358 1.344 2.133 0.2016 -0.5255 -0.2907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30506 9644SOL HW130504 6.424 1.272 2.111 0.8289 0.5706 -2.2229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30507 9644SOL HW230505 6.407 1.425 2.165 -0.2876 -0.1242 -0.5470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30508 9645SOL OW30506 6.233 1.574 3.115 -0.1374 -0.3060 0.0612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30509 9645SOL HW130507 6.196 1.615 3.199 -0.0588 -1.2553 0.5675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30510 9645SOL HW230508 6.203 1.628 3.036 0.9278 1.4027 0.7862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30511 9646SOL OW30509 6.703 0.085 2.076 -0.1632 -0.0989 0.5296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30512 9646SOL HW130510 6.793 0.070 2.119 -0.6073 1.4481 2.1098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30513 9646SOL HW230511 6.665 -0.003 2.048 1.5597 -0.8440 0.4067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30514 9647SOL OW30512 6.600 0.878 2.535 -0.0473 -0.8396 0.0194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30515 9647SOL HW130513 6.673 0.906 2.597 -1.1869 1.8854 0.2924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30516 9647SOL HW230514 6.520 0.849 2.587 -0.2692 -0.6352 -0.2042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30517 9648SOL OW30515 6.950 0.215 2.834 0.5035 0.2529 0.6779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30518 9648SOL HW130516 6.969 0.141 2.770 0.2082 0.8676 -0.1423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30519 9648SOL HW230517 6.857 0.204 2.870 1.1150 -0.7958 1.9900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30520 9649SOL OW30518 5.659 0.879 2.377 0.0278 0.1843 -0.0854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30521 9649SOL HW130519 5.708 0.908 2.295 -2.0253 -0.5113 -1.6475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30522 9649SOL HW230520 5.670 0.780 2.388 -0.8164 0.0565 -0.3350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30523 9650SOL OW30521 6.331 1.714 2.217 -0.3653 -0.1811 0.3418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30524 9650SOL HW130522 6.285 1.738 2.132 1.6248 1.6119 -0.2937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30525 9650SOL HW230523 6.304 1.777 2.289 -1.0275 -0.8807 0.7233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30526 9651SOL OW30524 5.728 0.673 3.826 -0.5638 0.7413 -0.4716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30527 9651SOL HW130525 5.631 0.662 3.802 0.1231 -0.8525 -2.8394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30528 9651SOL HW230526 5.775 0.721 3.751 0.5134 1.5224 0.6613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30529 9652SOL OW30527 5.796 0.313 4.680 0.5054 0.1671 -0.9527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30530 9652SOL HW130528 5.782 0.306 4.779 1.5325 1.2571 -0.7230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30531 9652SOL HW230529 5.816 0.222 4.644 1.2812 -0.0704 0.0212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30532 9653SOL OW30530 5.352 0.322 4.251 0.5193 -0.0710 0.0811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30533 9653SOL HW130531 5.374 0.305 4.347 -0.7309 -0.0904 0.3853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30534 9653SOL HW230532 5.411 0.267 4.193 0.6837 -0.7435 0.8693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30535 9654SOL OW30533 5.987 1.400 4.975 0.1855 -0.6002 0.1862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30536 9654SOL HW130534 5.976 1.315 4.924 -1.0458 0.1118 -0.7880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30537 9654SOL HW230535 6.078 1.438 4.958 0.9000 -1.8903 0.9463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30538 9655SOL OW30536 6.944 1.596 4.528 0.0911 0.1024 -0.3597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30539 9655SOL HW130537 6.887 1.575 4.607 0.4239 0.5774 0.0126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30540 9655SOL HW230538 6.911 1.545 4.449 0.7515 -1.6822 0.4537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30541 9656SOL OW30539 6.573 0.655 4.355 -0.5707 -0.0422 -0.3548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30542 9656SOL HW130540 6.614 0.744 4.376 -1.1189 0.0501 0.3350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30543 9656SOL HW230541 6.619 0.584 4.408 0.5479 -0.3296 -1.6507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30544 9657SOL OW30542 0.129 0.438 3.841 -0.0203 0.6657 0.5240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30545 9657SOL HW130543 0.185 0.422 3.923 1.8241 0.3382 -0.7338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30546 9657SOL HW230544 0.059 0.367 3.834 0.3857 0.1665 1.3283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30547 9658SOL OW30545 6.196 1.223 4.636 -0.7812 0.4830 -0.4139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30548 9658SOL HW130546 6.153 1.160 4.571 -0.1151 -0.6447 0.2060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30549 9658SOL HW230547 6.169 1.199 4.729 0.8757 -0.0453 -0.0358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30550 9659SOL OW30548 6.388 0.582 5.681 0.3355 -0.5766 -0.6739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30551 9659SOL HW130549 6.416 0.665 5.728 1.8123 -2.1969 1.5278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30552 9659SOL HW230550 6.290 0.586 5.660 -0.0608 0.8533 1.2446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30553 9660SOL OW30551 6.256 0.839 4.319 -0.7624 -0.1635 -0.4070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30554 9660SOL HW130552 6.257 0.777 4.397 -2.1399 -2.1296 -1.8820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30555 9660SOL HW230553 6.318 0.916 4.338 -1.9133 0.1132 3.0999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30556 9661SOL OW30554 6.258 1.201 5.580 0.0309 -0.2524 0.5977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30557 9661SOL HW130555 6.305 1.228 5.664 0.7576 0.8731 -0.1556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30558 9661SOL HW230556 6.186 1.266 5.559 0.6652 0.1751 -0.3089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30559 9662SOL OW30557 5.969 1.144 4.856 0.6402 -0.0679 0.0437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30560 9662SOL HW130558 6.000 1.049 4.855 -1.0075 -0.6603 -1.4737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30561 9662SOL HW230559 5.895 1.155 4.789 -0.6456 1.7927 1.6587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30562 9663SOL OW30560 6.818 1.451 5.245 -1.0028 -0.2408 0.6245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30563 9663SOL HW130561 6.914 1.479 5.254 -0.6746 -0.9916 -0.3604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30564 9663SOL HW230562 6.808 1.356 5.273 -1.1755 -0.5983 -0.5786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30565 9664SOL OW30563 6.103 0.505 5.235 0.0309 0.2072 0.2770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30566 9664SOL HW130564 6.106 0.406 5.220 -1.4586 -0.1116 1.7742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30567 9664SOL HW230565 6.062 0.524 5.324 0.0797 2.1933 -0.0796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30568 9665SOL OW30566 5.494 1.605 4.196 -0.1800 0.2095 0.4479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30569 9665SOL HW130567 5.583 1.578 4.234 -0.5600 -1.4352 0.2494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30570 9665SOL HW230568 5.468 1.540 4.125 -0.5133 1.9739 -1.1027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30571 9666SOL OW30569 6.614 1.465 5.438 -0.0402 0.4349 0.1284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30572 9666SOL HW130570 6.684 1.482 5.369 -0.1149 1.2228 0.2466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30573 9666SOL HW230571 6.584 1.369 5.431 -1.2303 0.8796 -2.0550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30574 9667SOL OW30572 5.762 1.439 4.272 0.2489 -0.3728 -0.2020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30575 9667SOL HW130573 5.793 1.514 4.213 -1.1708 1.1157 0.8846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30576 9667SOL HW230574 5.807 1.445 4.361 -1.0845 0.1951 0.4544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30577 9668SOL OW30575 5.810 1.043 4.551 -0.9251 -0.1824 0.0387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30578 9668SOL HW130576 5.792 0.945 4.564 0.4809 -0.3857 0.6549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30579 9668SOL HW230577 5.760 1.096 4.619 1.4460 -0.7979 2.4162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30580 9669SOL OW30578 5.964 1.708 4.859 0.0499 0.0545 -0.3630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30581 9669SOL HW130579 5.884 1.675 4.910 -0.1577 0.7286 -0.2405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30582 9669SOL HW230580 6.015 1.772 4.916 0.4197 -0.0144 -0.6161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30583 9670SOL OW30581 6.115 0.968 3.762 0.3526 -0.1089 0.1093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30584 9670SOL HW130582 6.149 1.037 3.697 0.4161 1.3558 1.6311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30585 9670SOL HW230583 6.193 0.919 3.801 0.3634 -0.4173 -0.2902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30586 9671SOL OW30584 7.090 7.183 5.053 0.1070 -0.3216 0.7383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30587 9671SOL HW130585 7.021 7.239 5.008 0.5995 -1.9336 -2.2487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30588 9671SOL HW230586 7.047 7.125 5.122 -1.4451 -0.7225 -0.5179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30589 9672SOL OW30587 5.646 0.561 4.376 -0.2083 0.4099 0.0040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30590 9672SOL HW130588 5.583 0.628 4.335 -0.7469 -0.1672 -0.1252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30591 9672SOL HW230589 5.633 0.559 4.475 0.2534 0.9413 0.0842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30592 9673SOL OW30590 5.439 1.411 3.980 0.2450 -0.2909 0.0753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30593 9673SOL HW130591 5.352 1.406 4.030 -0.5684 0.7979 -1.1387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30594 9673SOL HW230592 5.429 1.363 3.892 1.1087 -0.7586 0.2267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30595 9674SOL OW30593 7.254 0.924 4.204 -0.1608 -0.0338 -0.1634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30596 9674SOL HW130594 7.220 0.932 4.297 -2.1775 0.8657 -0.9238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30597 9674SOL HW230595 7.225 0.837 4.165 2.9990 -1.6762 0.8530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30598 9675SOL OW30596 5.569 0.848 5.118 0.1595 0.0801 -0.1416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30599 9675SOL HW130597 5.648 0.883 5.067 0.8375 0.7987 1.3433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30600 9675SOL HW230598 5.503 0.921 5.132 0.0626 -0.0593 0.1414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30601 9676SOL OW30599 6.073 1.319 4.163 -0.0550 -0.6244 -0.3382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30602 9676SOL HW130600 5.997 1.318 4.227 0.1634 1.5092 0.0279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30603 9676SOL HW230601 6.041 1.294 4.072 -1.5206 1.4681 -0.4647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30604 9677SOL OW30602 6.777 1.272 4.964 0.8737 -0.3268 -0.0253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30605 9677SOL HW130603 6.710 1.228 4.905 3.4784 -0.9365 -2.7207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30606 9677SOL HW230604 6.737 1.357 5.001 -1.7280 -1.2315 -0.5099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30607 9678SOL OW30605 6.341 0.025 4.138 -0.1774 0.3791 -0.4840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30608 9678SOL HW130606 6.411 0.064 4.078 -1.5260 2.2968 -0.9102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30609 9678SOL HW230607 6.257 0.011 4.087 -1.0684 1.1371 0.7088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30610 9679SOL OW30608 5.771 0.923 4.976 -0.2182 -0.0921 -0.0713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30611 9679SOL HW130609 5.859 0.895 4.938 0.7363 0.1634 1.8503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30612 9679SOL HW230610 5.730 0.993 4.916 1.6192 0.9330 -0.2123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30613 9680SOL OW30611 7.126 1.231 4.157 0.7879 0.3558 0.2349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30614 9680SOL HW130612 7.112 1.138 4.124 0.6965 0.6269 -0.5058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30615 9680SOL HW230613 7.104 1.235 4.255 -2.2110 0.2516 -0.3363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30616 9681SOL OW30614 6.568 1.816 5.325 0.5080 -0.1926 0.0016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30617 9681SOL HW130615 6.645 1.855 5.275 -0.5577 0.5993 -1.0624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30618 9681SOL HW230616 6.500 1.781 5.261 -0.8912 0.8317 0.8620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30619 9682SOL OW30617 5.991 0.498 5.479 0.5022 -0.4334 0.2240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30620 9682SOL HW130618 5.984 0.491 5.578 -0.6390 0.9588 0.2765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30621 9682SOL HW230619 5.902 0.477 5.438 1.0640 -1.3830 -0.5411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30622 9683SOL OW30620 6.755 1.498 4.761 0.7366 -0.0101 0.4657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30623 9683SOL HW130621 6.755 1.535 4.854 -0.8258 -0.2803 0.6033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30624 9683SOL HW230622 6.784 1.402 4.763 1.2750 0.1500 0.5817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30625 9684SOL OW30623 0.105 1.315 4.053 0.4134 -0.0698 0.3480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30626 9684SOL HW130624 0.030 1.271 4.105 1.8086 -1.7249 1.0840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30627 9684SOL HW230625 0.153 1.245 4.000 0.8766 1.1324 -0.8570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30628 9685SOL OW30626 6.170 0.744 4.098 -0.5031 0.1402 -0.4583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30629 9685SOL HW130627 6.070 0.752 4.095 -0.4265 0.8974 -2.1361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30630 9685SOL HW230628 6.203 0.778 4.186 -1.8163 -1.8009 0.8696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30631 9686SOL OW30629 6.783 0.508 4.773 0.1297 0.5401 0.1583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30632 9686SOL HW130630 6.793 0.441 4.847 0.7782 0.2468 -0.1903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30633 9686SOL HW230631 6.693 0.551 4.780 0.4117 0.9549 1.4841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30634 9687SOL OW30632 6.959 1.799 3.826 0.1208 -0.3834 -0.1956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30635 9687SOL HW130633 6.975 1.730 3.897 2.6561 0.5730 0.2679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30636 9687SOL HW230634 6.932 1.754 3.741 0.6639 -1.8703 0.3858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30637 9688SOL OW30635 6.376 0.549 5.238 0.0790 0.5650 -0.1001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30638 9688SOL HW130636 6.405 0.472 5.294 0.8768 1.0865 0.2400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30639 9688SOL HW230637 6.278 0.545 5.222 0.0581 -0.3157 0.2135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30640 9689SOL OW30638 6.976 0.433 5.440 -0.0941 -0.2707 0.1033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30641 9689SOL HW130639 6.997 0.521 5.397 0.7075 -0.1761 0.6569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30642 9689SOL HW230640 6.998 0.438 5.537 -2.5889 -0.2331 0.7283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30643 9690SOL OW30641 6.353 0.985 5.272 -0.2319 -0.4798 0.3282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30644 9690SOL HW130642 6.316 0.897 5.302 -0.8867 0.1602 1.4846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30645 9690SOL HW230643 6.282 1.036 5.223 -0.3932 0.0968 1.1536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30646 9691SOL OW30644 6.489 0.228 4.973 0.1814 -0.3409 0.4692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30647 9691SOL HW130645 6.525 0.173 4.897 0.2614 -2.1013 1.6981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30648 9691SOL HW230646 6.404 0.272 4.946 -0.5014 -2.0318 -0.2596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30649 9692SOL OW30647 6.618 0.629 4.100 -0.0842 0.1525 -0.1102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30650 9692SOL HW130648 6.585 0.649 4.193 -0.6098 1.1749 -0.4993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30651 9692SOL HW230649 6.548 0.576 4.051 0.8633 -1.8260 0.5722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30652 9693SOL OW30650 5.558 0.863 4.461 -0.6304 -0.4038 -0.0260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30653 9693SOL HW130651 5.634 0.819 4.509 -0.9548 -0.2803 0.6107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30654 9693SOL HW230652 5.513 0.928 4.522 -1.7737 -1.0957 -0.1031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30655 9694SOL OW30653 5.570 1.780 5.364 -0.3459 0.8220 0.1327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30656 9694SOL HW130654 5.567 1.786 5.464 2.1135 3.9314 0.2051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30657 9694SOL HW230655 5.489 1.823 5.326 -0.8202 0.5330 0.8044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30658 9695SOL OW30656 6.468 0.441 3.894 0.1322 0.4323 -0.2379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30659 9695SOL HW130657 6.557 0.428 3.850 -0.1899 1.6648 -1.3113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30660 9695SOL HW230658 6.395 0.418 3.830 -0.3407 -0.2484 0.5254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30661 9696SOL OW30659 7.090 0.654 5.336 -0.8363 0.2087 -0.8042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30662 9696SOL HW130660 7.057 0.727 5.276 0.0740 1.4391 0.1410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30663 9696SOL HW230661 7.164 0.689 5.394 0.2333 -1.7025 -0.9255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30664 9697SOL OW30662 6.694 1.125 4.400 0.1520 0.0278 0.5459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30665 9697SOL HW130663 6.639 1.058 4.351 -0.3029 0.5539 0.3356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30666 9697SOL HW230664 6.679 1.216 4.362 1.6069 0.1097 0.1068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30667 9698SOL OW30665 6.168 0.028 4.554 0.2626 -0.5994 0.2003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30668 9698SOL HW130666 6.151 0.021 4.653 -0.7049 0.5958 0.1343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30669 9698SOL HW230667 6.161 0.123 4.526 1.3564 -0.8163 -0.8999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30670 9699SOL OW30668 6.536 1.363 4.317 0.5347 -0.5878 0.3536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30671 9699SOL HW130669 6.464 1.388 4.253 0.8710 -0.9223 -0.1572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30672 9699SOL HW230670 6.514 1.399 4.408 1.1385 1.7882 -0.3983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30673 9700SOL OW30671 5.942 1.668 4.589 0.1061 -0.0591 0.4662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30674 9700SOL HW130672 5.973 1.575 4.568 1.3632 0.4069 0.1416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30675 9700SOL HW230673 5.938 1.681 4.688 -1.5318 -0.8984 0.5441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30676 9701SOL OW30674 6.987 1.197 4.407 -0.6037 0.5775 0.1765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30677 9701SOL HW130675 6.892 1.166 4.419 -0.7251 1.1836 0.8598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30678 9701SOL HW230676 7.012 1.257 4.483 0.1321 0.9214 -0.3275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30679 9702SOL OW30677 6.440 1.681 5.117 0.2166 -0.0448 -0.1758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30680 9702SOL HW130678 6.421 1.583 5.125 2.7410 -0.7989 -1.9649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30681 9702SOL HW230679 6.387 1.719 5.042 2.3387 -1.1407 -2.3658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30682 9703SOL OW30680 5.896 0.905 3.975 0.1450 0.4435 -0.1011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30683 9703SOL HW130681 5.946 0.958 3.907 -1.2353 2.2656 0.2354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30684 9703SOL HW230682 5.898 0.808 3.949 0.5042 0.9557 -2.2039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30685 9704SOL OW30683 7.008 0.748 4.579 0.4255 0.1636 0.1567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30686 9704SOL HW130684 7.025 0.652 4.600 0.5996 -0.6063 -2.9577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30687 9704SOL HW230685 7.093 0.799 4.584 0.4155 0.0851 1.3680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30688 9705SOL OW30686 6.021 1.350 5.497 0.6502 -0.1739 0.6061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30689 9705SOL HW130687 6.025 1.345 5.397 -0.8775 0.9071 0.4493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30690 9705SOL HW230688 5.960 1.279 5.531 -0.2092 0.5410 0.5984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30691 9706SOL OW30689 6.777 1.869 4.156 0.3551 0.2198 0.1749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30692 9706SOL HW130690 6.760 1.785 4.105 0.5890 0.3028 -0.0434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30693 9706SOL HW230691 6.850 1.853 4.223 -1.0535 -0.3523 1.6434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30694 9707SOL OW30692 5.722 0.272 5.239 -0.0827 0.2118 -0.4341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30695 9707SOL HW130693 5.738 0.336 5.314 -0.9709 1.7209 -1.4864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30696 9707SOL HW230694 5.626 0.245 5.238 0.4004 -1.7614 0.4171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30697 9708SOL OW30695 6.101 1.611 4.046 -0.4185 -0.4939 0.4530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30698 9708SOL HW130696 6.197 1.639 4.055 -0.8060 0.9820 0.3747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30699 9708SOL HW230697 6.094 1.528 3.991 0.8062 -0.5962 0.4335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30700 9709SOL OW30698 7.009 7.168 4.060 -0.1892 -0.1206 0.3723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30701 9709SOL HW130699 7.012 7.127 4.151 -0.1610 0.9326 0.8521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30702 9709SOL HW230700 7.049 7.259 4.062 1.2436 -0.6800 -1.0321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30703 9710SOL OW30701 5.930 2.023 4.817 1.0592 -0.0729 0.2385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30704 9710SOL HW130702 5.983 2.108 4.821 0.7874 0.0563 1.4928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30705 9710SOL HW230703 5.989 1.949 4.784 1.5753 0.3983 0.0883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30706 9711SOL OW30704 6.560 1.780 4.392 0.4624 -0.8053 -0.0831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30707 9711SOL HW130705 6.462 1.793 4.382 0.5549 0.2203 0.2764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30708 9711SOL HW230706 6.608 1.864 4.366 1.1560 -0.8134 1.0799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30709 9712SOL OW30707 5.869 0.543 4.219 0.4573 -0.2694 0.3145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30710 9712SOL HW130708 5.928 0.468 4.245 0.3073 -0.1308 1.0778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30711 9712SOL HW230709 5.790 0.547 4.280 0.0142 -0.0265 -0.2572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30712 9713SOL OW30710 7.106 0.164 5.441 -0.4575 -0.1804 0.6411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30713 9713SOL HW130711 7.031 0.106 5.472 -2.0840 0.6988 -1.3908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30714 9713SOL HW230712 7.074 0.259 5.432 1.5434 0.6784 1.8351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30715 9714SOL OW30713 6.294 0.325 3.698 -0.1514 0.1209 0.3507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30716 9714SOL HW130714 6.304 0.233 3.736 -0.4227 -1.0638 -2.1745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30717 9714SOL HW230715 6.200 0.355 3.708 0.3479 1.0393 2.9390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30718 9715SOL OW30716 6.153 0.273 5.542 -0.0543 0.0101 0.6327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30719 9715SOL HW130717 6.107 0.189 5.513 -1.6931 1.3614 -0.8724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30720 9715SOL HW230718 6.099 0.352 5.515 2.8995 1.7284 -0.8006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30721 9716SOL OW30719 6.252 1.476 4.948 -0.1963 0.0157 -0.2538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30722 9716SOL HW130720 6.285 1.570 4.943 -0.3727 0.0197 -1.4809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30723 9716SOL HW230721 6.326 1.416 4.980 -0.7704 0.8915 3.0924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30724 9717SOL OW30722 6.787 0.372 5.259 0.9448 0.1776 -0.2974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30725 9717SOL HW130723 6.728 0.297 5.288 1.1401 -0.0316 -0.4367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30726 9717SOL HW230724 6.845 0.399 5.336 1.7087 -0.6114 -0.5732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30727 9718SOL OW30725 6.496 1.429 4.592 0.2605 0.6832 0.0649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30728 9718SOL HW130726 6.510 1.520 4.631 -1.6125 1.4609 -0.9192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30729 9718SOL HW230727 6.421 1.383 4.641 0.4397 0.1307 -0.1701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30730 9719SOL OW30728 6.477 0.275 4.642 -0.4885 0.2566 0.8704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30731 9719SOL HW130729 6.415 0.319 4.707 1.3954 1.2438 2.0866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30732 9719SOL HW230730 6.503 0.185 4.678 -0.0614 0.4713 1.1018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30733 9720SOL OW30731 6.129 7.240 3.978 0.2027 -0.9963 -0.2423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30734 9720SOL HW130732 6.070 7.161 3.990 -0.6375 -0.1327 1.5652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30735 9720SOL HW230733 6.074 7.324 3.981 1.4476 -0.1890 1.1654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30736 9721SOL OW30734 7.063 1.405 3.960 -0.1097 0.3667 0.1662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30737 9721SOL HW130735 7.090 1.335 4.026 -0.5153 0.3091 0.2777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30738 9721SOL HW230736 7.071 1.495 4.000 1.1890 0.4533 -0.2407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30739 9722SOL OW30737 5.474 7.222 3.909 -0.0973 0.2217 0.0671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30740 9722SOL HW130738 5.420 7.142 3.882 -0.0939 0.3467 -0.3224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30741 9722SOL HW230739 5.541 7.243 3.838 0.8422 -0.2581 0.7978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30742 9723SOL OW30740 6.514 0.179 3.986 0.2082 -0.4072 0.0080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30743 9723SOL HW130741 6.492 0.272 3.960 0.7963 -0.6762 -1.5611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30744 9723SOL HW230742 6.609 0.174 4.017 0.6040 -0.6993 -1.2018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30745 9724SOL OW30743 6.528 0.717 5.066 -0.4409 -0.5010 -0.5991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30746 9724SOL HW130744 6.475 0.640 5.101 0.1764 -0.9049 -0.5355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30747 9724SOL HW230745 6.591 0.749 5.137 1.0404 -1.5144 -1.4063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30748 9725SOL OW30746 6.589 1.700 4.654 0.9502 0.4933 0.2503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30749 9725SOL HW130747 6.594 1.713 4.555 0.4280 0.1402 0.1693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30750 9725SOL HW230748 6.647 1.623 4.680 -0.9157 -1.1470 -0.1640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30751 9726SOL OW30749 6.051 1.114 4.407 0.2703 -0.0198 0.2198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30752 9726SOL HW130750 5.971 1.056 4.416 1.1341 -1.0777 1.3594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30753 9726SOL HW230751 6.074 1.125 4.310 -1.1938 0.2490 -0.1099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30754 9727SOL OW30752 7.004 1.867 4.371 -0.6286 -0.2883 0.2656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30755 9727SOL HW130753 7.004 1.777 4.415 -0.2433 -0.0601 0.7426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30756 9727SOL HW230754 7.026 1.937 4.439 2.4428 -0.1422 -0.7036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30757 9728SOL OW30755 6.702 0.393 3.725 0.5012 0.0189 -0.2635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30758 9728SOL HW130756 6.707 0.442 3.638 0.2755 -0.2579 -0.4352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30759 9728SOL HW230757 6.790 0.400 3.772 0.2237 1.2996 0.1130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30760 9729SOL OW30758 5.665 0.613 5.009 0.0239 -0.7274 0.1473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30761 9729SOL HW130759 5.764 0.616 5.014 0.2065 0.9988 -2.2800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30762 9729SOL HW230760 5.627 0.691 5.059 -0.0112 -0.6654 0.0254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30763 9730SOL OW30761 6.052 0.301 4.978 0.2414 -0.6003 0.1422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30764 9730SOL HW130762 6.071 0.277 5.073 -0.7252 1.2211 0.8623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30765 9730SOL HW230763 5.952 0.305 4.964 0.3529 0.7189 -0.4785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30766 9731SOL OW30764 6.422 0.307 4.244 -0.3414 0.0218 0.2610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30767 9731SOL HW130765 6.371 0.386 4.211 -0.3582 -0.5761 -1.2040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30768 9731SOL HW230766 6.392 0.225 4.196 0.2779 -0.7482 1.1425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30769 9732SOL OW30767 6.659 7.243 4.527 -0.5354 0.3523 -0.4194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30770 9732SOL HW130768 6.697 7.330 4.494 -1.3962 0.5174 -0.9840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30771 9732SOL HW230769 6.563 7.237 4.501 -0.9248 -0.0556 1.0344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30772 9733SOL OW30770 6.588 1.151 4.802 -0.5869 0.4802 0.6895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30773 9733SOL HW130771 6.536 1.081 4.852 0.3757 -0.6917 0.0872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30774 9733SOL HW230772 6.550 1.160 4.709 -0.2174 0.2018 0.5128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30775 9734SOL OW30773 7.029 0.464 4.662 -0.1501 -0.2573 0.2247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30776 9734SOL HW130774 6.934 0.475 4.690 0.0323 2.3928 0.1048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30777 9734SOL HW230775 7.084 0.435 4.740 -1.0283 -1.8818 0.2743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30778 9735SOL OW30776 7.191 0.641 4.152 0.2094 -0.4787 0.2260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30779 9735SOL HW130777 7.261 0.627 4.222 1.8352 0.2133 -1.1976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30780 9735SOL HW230778 7.121 0.569 4.160 0.1942 -0.2745 2.6704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30781 9736SOL OW30779 6.067 1.393 3.867 0.2058 -0.1477 -0.3775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30782 9736SOL HW130780 5.985 1.338 3.853 -1.1332 1.7712 -0.3467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30783 9736SOL HW230781 6.147 1.333 3.869 -1.1761 -2.0720 -0.3639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30784 9737SOL OW30782 6.943 0.454 3.886 0.6700 0.1755 -0.1397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30785 9737SOL HW130783 6.929 0.453 3.985 0.5652 -0.8063 -0.1591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30786 9737SOL HW230784 6.987 0.369 3.857 1.0982 0.6315 -0.8866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30787 9738SOL OW30785 5.987 0.232 3.986 -0.0077 -0.1439 0.1287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30788 9738SOL HW130786 5.923 0.176 3.934 -1.8453 1.0736 0.9444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30789 9738SOL HW230787 5.958 0.328 3.982 1.8785 0.4863 0.4295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30790 9739SOL OW30788 6.421 1.342 5.101 -0.1145 -0.1118 -0.2808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30791 9739SOL HW130789 6.359 1.368 5.175 -2.0655 -1.3659 -1.3728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30792 9739SOL HW230790 6.459 1.252 5.120 1.2481 0.5507 0.2650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30793 9740SOL OW30791 7.069 1.573 5.326 0.4548 -0.8800 0.3914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30794 9740SOL HW130792 7.168 1.558 5.322 0.5789 0.0424 -0.4794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30795 9740SOL HW230793 7.037 1.558 5.420 1.4356 -1.0921 0.7039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30796 9741SOL OW30794 6.491 0.971 5.022 -0.0027 -0.2807 0.3864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30797 9741SOL HW130795 6.504 0.872 5.011 3.1027 0.0326 0.5040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30798 9741SOL HW230796 6.463 0.991 5.115 -0.5961 -1.0245 0.3809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30799 9742SOL OW30797 6.998 1.132 5.100 0.6695 -0.2591 0.1973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30800 9742SOL HW130798 7.088 1.156 5.064 0.9592 -0.9686 0.4285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30801 9742SOL HW230799 6.927 1.177 5.046 1.0399 -2.0462 -1.8814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30802 9743SOL OW30800 6.352 0.199 5.210 0.2518 -0.1342 0.7183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30803 9743SOL HW130801 6.389 0.237 5.294 -1.4742 2.1497 0.5371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30804 9743SOL HW230802 6.409 0.226 5.133 1.2703 -1.3918 0.9896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30805 9744SOL OW30803 6.454 1.227 5.384 0.2384 -0.1519 0.1771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30806 9744SOL HW130804 6.394 1.259 5.457 0.2323 -2.0957 1.1113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30807 9744SOL HW230805 6.416 1.143 5.345 1.6338 -0.6554 -0.1545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30808 9745SOL OW30806 6.320 0.793 3.867 -0.3459 -0.2966 0.0865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30809 9745SOL HW130807 6.264 0.755 3.941 0.2170 -0.4289 0.4554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30810 9745SOL HW230808 6.404 0.739 3.859 -0.9170 -1.0248 -1.4447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30811 9746SOL OW30809 6.001 0.871 4.818 -0.3839 0.5009 -0.5097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30812 9746SOL HW130810 5.971 0.784 4.778 0.0226 0.5314 -0.8823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30813 9746SOL HW230811 6.095 0.890 4.790 -0.3717 0.9206 -0.1914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30814 9747SOL OW30812 6.736 0.376 4.999 0.0724 0.2473 0.0652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30815 9747SOL HW130813 6.753 0.393 5.096 1.0297 0.1572 -0.0696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30816 9747SOL HW230814 6.653 0.323 4.987 -0.0891 0.3244 0.8338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30817 9748SOL OW30815 5.531 1.575 4.942 -0.2936 -0.3302 0.8076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30818 9748SOL HW130816 5.518 1.670 4.913 0.1713 -0.7174 -0.7836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30819 9748SOL HW230817 5.629 1.554 4.944 -0.4026 -0.8661 0.8208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30820 9749SOL OW30818 5.885 1.110 4.162 0.0596 0.2555 -0.0163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30821 9749SOL HW130819 5.813 1.172 4.132 -0.5845 -0.2995 0.3750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30822 9749SOL HW230820 5.888 1.031 4.102 -0.8124 -0.5533 0.9774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30823 9750SOL OW30821 6.205 0.297 4.442 -0.0344 -0.0930 -0.2177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30824 9750SOL HW130822 6.116 0.291 4.398 -0.5844 2.8894 0.2364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30825 9750SOL HW230823 6.270 0.341 4.379 0.7683 -1.0682 -0.0873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30826 9751SOL OW30824 6.795 1.522 4.302 0.4920 -0.2678 0.2306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30827 9751SOL HW130825 6.782 1.460 4.224 -0.5532 -1.1161 1.0515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30828 9751SOL HW230826 6.753 1.610 4.281 0.7247 -0.3029 -0.3964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30829 9752SOL OW30827 6.696 1.561 5.031 -0.2014 0.0302 0.4763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30830 9752SOL HW130828 6.734 1.518 5.113 -0.6353 -1.5000 -0.0842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30831 9752SOL HW230829 6.599 1.583 5.047 -0.0579 0.5307 0.6630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30832 9753SOL OW30830 7.074 0.367 4.273 -0.7928 0.4710 0.1731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30833 9753SOL HW130831 7.045 0.338 4.364 1.8680 -1.1816 0.6076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30834 9753SOL HW230832 6.994 0.388 4.218 -2.6630 -1.4828 1.9458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30835 9754SOL OW30833 5.790 1.557 5.005 0.0283 0.0721 0.0082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30836 9754SOL HW130834 5.868 1.495 4.994 -1.8675 -2.7419 1.3074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30837 9754SOL HW230835 5.759 1.555 5.100 -0.2866 2.9291 0.0532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30838 9755SOL OW30836 6.258 0.735 5.402 0.0544 0.3665 -0.2292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30839 9755SOL HW130837 6.334 0.681 5.366 -1.3936 -0.8408 -1.6155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30840 9755SOL HW230838 6.174 0.682 5.397 -1.2986 2.4273 -0.8106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30841 9756SOL OW30839 6.859 0.771 5.569 -0.1735 -0.3697 0.4309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30842 9756SOL HW130840 6.947 0.811 5.543 -0.3349 -0.5246 -0.3839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30843 9756SOL HW230841 6.787 0.839 5.555 -0.1022 0.0244 1.8476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30844 9757SOL OW30842 6.445 7.247 5.513 0.2770 -0.1384 0.3783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30845 9757SOL HW130843 6.451 7.256 5.612 0.5831 -3.1473 0.7352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30846 9757SOL HW230844 6.377 7.178 5.489 2.0963 -1.4818 -1.3018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30847 9758SOL OW30845 5.867 0.055 5.296 0.1396 -0.1092 0.4424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30848 9758SOL HW130846 5.868 0.000 5.212 0.6428 -0.7911 0.8861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30849 9758SOL HW230847 5.829 0.146 5.276 -1.1126 -0.7497 -0.2145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30850 9759SOL OW30848 6.398 0.883 4.726 0.0124 -0.2838 0.1985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30851 9759SOL HW130849 6.415 0.954 4.657 -1.9301 -1.8573 -2.0552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30852 9759SOL HW230850 6.340 0.921 4.798 0.4796 0.8868 -0.0074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30853 9760SOL OW30851 6.881 0.886 4.771 0.6174 -0.2179 -0.3228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30854 9760SOL HW130852 6.922 0.822 4.706 -0.3480 -2.2970 1.0184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30855 9760SOL HW230853 6.782 0.873 4.773 0.4226 1.1458 0.2331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30856 9761SOL OW30854 6.850 0.428 4.123 -0.4947 0.3846 -0.2921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30857 9761SOL HW130855 6.791 0.347 4.121 -0.6010 0.4586 -0.1276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30858 9761SOL HW230856 6.796 0.510 4.107 -0.1062 0.2726 -2.4097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30859 9762SOL OW30857 5.780 0.261 4.971 -0.1127 -0.5037 0.2385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30860 9762SOL HW130858 5.752 0.259 5.067 0.8432 -1.3743 0.5137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30861 9762SOL HW230859 5.809 0.170 4.942 0.0070 -0.1664 -0.7631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30862 9763SOL OW30860 5.537 1.295 4.964 0.3997 0.1780 -0.0701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30863 9763SOL HW130861 5.566 1.265 5.055 0.0662 1.0688 0.3480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30864 9763SOL HW230862 5.523 1.395 4.965 -2.9698 -0.1633 -0.1087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30865 9764SOL OW30863 6.169 0.510 4.629 0.4695 0.1976 0.4467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30866 9764SOL HW130864 6.175 0.449 4.550 0.7475 0.5581 0.1843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30867 9764SOL HW230865 6.228 0.590 4.614 0.1447 0.5088 0.8037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30868 9765SOL OW30866 5.689 7.190 4.145 -0.7391 0.0707 0.6442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30869 9765SOL HW130867 5.671 7.266 4.208 0.6565 0.9347 0.0448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30870 9765SOL HW230868 5.757 7.129 4.185 0.9038 1.1611 -0.3544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30871 9766SOL OW30869 7.232 0.244 3.795 -0.1844 0.3495 0.3912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30872 9766SOL HW130870 7.159 0.232 3.728 -0.1228 1.4680 0.1014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30873 9766SOL HW230871 7.270 0.155 3.820 -1.8288 -0.2775 0.7670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30874 9767SOL OW30872 6.657 0.460 4.537 0.5142 -0.2483 -0.1339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30875 9767SOL HW130873 6.722 0.484 4.609 -1.0151 0.1138 1.1898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30876 9767SOL HW230874 6.586 0.400 4.574 0.0567 -0.6124 -1.5249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30877 9768SOL OW30875 6.333 1.568 5.493 0.2314 0.0987 0.1358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30878 9768SOL HW130876 6.345 1.660 5.532 1.1631 0.1037 -0.1244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30879 9768SOL HW230877 6.421 1.520 5.495 -0.2388 -0.7731 0.2214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30880 9769SOL OW30878 6.193 0.939 5.582 0.1370 -0.3301 0.3660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30881 9769SOL HW130879 6.231 1.031 5.573 -0.0521 -0.0098 2.3274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30882 9769SOL HW230880 6.247 0.876 5.526 -1.5383 1.3390 -3.4751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30883 9770SOL OW30881 6.978 0.215 3.685 0.0166 0.1264 0.1495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30884 9770SOL HW130882 6.901 0.264 3.644 -1.6150 -2.4322 -0.0773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30885 9770SOL HW230883 6.946 0.128 3.722 2.4046 0.0207 2.2582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30886 9771SOL OW30884 6.996 0.734 3.855 0.6203 0.1624 0.7926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30887 9771SOL HW130885 6.961 0.640 3.855 2.1589 -0.5239 -2.3416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30888 9771SOL HW230886 7.082 0.737 3.906 0.8479 -0.2689 0.4453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30889 9772SOL OW30887 6.438 1.125 4.561 -0.1094 -1.0186 0.1824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30890 9772SOL HW130888 6.492 1.188 4.505 1.9472 -1.4698 1.5490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30891 9772SOL HW230889 6.351 1.168 4.585 1.2860 1.4263 1.2195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30892 9773SOL OW30890 5.815 0.753 4.578 0.4510 -0.1021 -0.8382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30893 9773SOL HW130891 5.863 0.730 4.493 -1.1340 -2.4593 -1.1998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30894 9773SOL HW230892 5.831 0.682 4.646 -1.0545 -0.0412 -0.3722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30895 9774SOL OW30893 5.931 0.570 4.766 -0.1762 -0.0313 0.4550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30896 9774SOL HW130894 5.887 0.481 4.751 0.1811 0.1611 -2.3266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30897 9774SOL HW230895 6.027 0.564 4.740 0.0543 0.9758 1.0405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30898 9775SOL OW30896 6.803 0.232 5.556 -0.6834 0.6494 0.3069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30899 9775SOL HW130897 6.759 0.322 5.564 0.6402 1.3682 -0.1996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30900 9775SOL HW230898 6.758 0.179 5.484 -1.0777 1.1561 0.1727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30901 9776SOL OW30899 6.650 0.130 5.359 0.2526 0.1100 -0.1815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30902 9776SOL HW130900 6.581 0.092 5.422 -0.1268 -0.3514 -0.8622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30903 9776SOL HW230901 6.662 0.068 5.282 2.1316 -0.2793 0.3791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30904 9777SOL OW30902 5.442 1.064 4.109 -0.3102 0.7553 -0.2641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30905 9777SOL HW130903 5.515 1.075 4.177 0.3706 -0.1807 -0.8165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30906 9777SOL HW230904 5.466 0.990 4.046 -2.5232 -0.8227 0.5851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30907 9778SOL OW30905 5.627 1.802 4.539 -0.2715 -0.4991 0.1066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30908 9778SOL HW130906 5.541 1.759 4.513 0.4091 -1.9430 0.1418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30909 9778SOL HW230907 5.695 1.732 4.557 1.8819 0.5615 -3.0322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30910 9779SOL OW30908 5.920 1.381 4.490 -0.9240 -0.3453 -0.1378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30911 9779SOL HW130909 5.993 1.423 4.545 0.2161 -0.6622 -1.3413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30912 9779SOL HW230910 5.938 1.284 4.480 -0.0037 0.0099 -2.6240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30913 9780SOL OW30911 6.627 0.762 4.815 1.0388 -0.3065 0.3946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30914 9780SOL HW130912 6.609 0.733 4.909 1.2840 2.2890 1.3234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30915 9780SOL HW230913 6.545 0.803 4.776 0.8887 -1.5167 -0.6322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30916 9781SOL OW30914 5.607 0.532 4.646 0.5555 -0.1685 -0.4326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30917 9781SOL HW130915 5.653 0.444 4.657 0.8807 0.0276 -0.1686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30918 9781SOL HW230916 5.636 0.593 4.720 -0.3987 -0.1467 -0.0735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30919 9782SOL OW30917 5.808 0.784 5.306 -0.2357 -0.6082 0.8173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30920 9782SOL HW130918 5.842 0.733 5.228 -0.4813 0.9438 -0.3626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30921 9782SOL HW230919 5.708 0.773 5.312 -0.7012 1.6959 -1.0584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30922 9783SOL OW30920 7.004 0.852 5.179 -0.5744 0.3299 0.1845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30923 9783SOL HW130921 7.013 0.948 5.154 1.0882 -0.0950 -1.0255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30924 9783SOL HW230922 6.974 0.800 5.099 -0.0533 -0.3717 0.4415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30925 9784SOL OW30923 6.307 0.510 4.122 0.5523 0.2598 0.1156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30926 9784SOL HW130924 6.321 0.468 4.032 -0.3599 -0.2117 0.1832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30927 9784SOL HW230925 6.261 0.598 4.111 0.3752 0.1692 0.1166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30928 9785SOL OW30926 5.720 1.383 5.525 -0.0696 -0.0840 0.1326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30929 9785SOL HW130927 5.706 1.401 5.622 2.6903 -0.3365 0.6646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30930 9785SOL HW230928 5.776 1.301 5.514 -0.0615 0.1119 -1.6856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30931 9786SOL OW30929 6.287 0.373 4.839 0.0853 -0.2509 -0.3791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30932 9786SOL HW130930 6.207 0.338 4.888 -0.8984 -2.0892 -3.0725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30933 9786SOL HW230931 6.257 0.439 4.770 1.2884 1.3098 0.5212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30934 9787SOL OW30932 6.325 1.768 4.901 0.1910 -0.2670 0.2157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30935 9787SOL HW130933 6.243 1.806 4.944 -0.9477 -1.5453 -0.7420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30936 9787SOL HW230934 6.391 1.842 4.884 -0.7524 0.7857 1.0151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30937 9788SOL OW30935 5.927 0.546 3.959 0.3862 -0.6933 -0.1928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30938 9788SOL HW130936 5.897 0.548 4.054 -0.2895 -1.6146 -0.3650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30939 9788SOL HW230937 5.857 0.588 3.901 1.1673 0.6259 -0.2096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30940 9789SOL OW30938 5.871 1.038 5.228 -0.2859 0.1753 0.5527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30941 9789SOL HW130939 5.858 0.963 5.293 -1.3520 0.8926 1.1987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30942 9789SOL HW230940 5.847 1.007 5.136 1.7279 -1.0065 0.3558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30943 9790SOL OW30941 6.983 1.231 4.708 0.2791 0.4396 0.5633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30944 9790SOL HW130942 6.979 1.135 4.681 -0.4133 0.8200 -0.8168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30945 9790SOL HW230943 6.899 1.256 4.756 -0.9535 1.0554 -1.7666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30946 9791SOL OW30944 7.068 1.072 3.962 -0.0845 0.1329 0.1905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30947 9791SOL HW130945 7.083 1.170 3.955 1.1630 0.0190 0.9584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30948 9791SOL HW230946 7.129 1.024 3.899 0.8828 -0.2270 1.3689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30949 9792SOL OW30947 7.104 1.814 5.165 0.5358 -0.2005 -0.2320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30950 9792SOL HW130948 7.120 1.722 5.200 0.6683 -0.6482 -1.4260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30951 9792SOL HW230949 7.018 1.849 5.202 1.9626 0.4922 2.7544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30952 9793SOL OW30950 6.797 1.852 4.938 0.0712 0.0957 0.1770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30953 9793SOL HW130951 6.889 1.853 4.898 0.1797 0.5238 0.4302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30954 9793SOL HW230952 6.760 1.759 4.936 0.3801 -0.0204 -0.2237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30955 9794SOL OW30953 5.673 1.115 4.824 0.1557 0.2702 0.1291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30956 9794SOL HW130954 5.626 1.183 4.881 0.4360 2.7099 -2.3500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30957 9794SOL HW230955 5.618 1.096 4.743 1.5485 0.0296 -0.8003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30958 9795SOL OW30956 6.194 1.910 5.602 -0.3848 0.1578 -0.2910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30959 9795SOL HW130957 6.142 1.922 5.518 -0.0762 -0.4984 -0.5853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30960 9795SOL HW230958 6.285 1.875 5.580 -0.2506 0.1192 0.3040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30961 9796SOL OW30959 7.135 1.670 3.976 -0.4327 0.7785 -0.5241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30962 9796SOL HW130960 7.135 1.761 3.933 -1.8983 1.1705 0.2393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30963 9796SOL HW230961 7.220 1.657 4.027 -0.6912 2.2213 0.3280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30964 9797SOL OW30962 5.524 1.708 5.621 -0.1343 0.2739 -0.0175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30965 9797SOL HW130963 5.482 1.618 5.637 -2.4047 1.1509 -0.6758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30966 9797SOL HW230964 5.620 1.704 5.647 -0.1915 -2.3039 0.0956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30967 9798SOL OW30965 6.755 0.844 4.436 -0.4309 0.2582 0.4346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30968 9798SOL HW130966 6.834 0.798 4.476 0.9257 1.7624 -0.4020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30969 9798SOL HW230967 6.764 0.942 4.449 -1.7445 0.5182 -0.4559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30970 9799SOL OW30968 6.252 1.504 5.254 0.3568 0.3320 -0.4777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30971 9799SOL HW130969 6.170 1.549 5.219 -0.5258 -1.1641 -0.4094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30972 9799SOL HW230970 6.268 1.531 5.348 -0.7543 -0.2518 -0.1057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30973 9800SOL OW30971 6.194 1.606 3.707 -0.8499 0.0777 -0.4986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30974 9800SOL HW130972 6.276 1.571 3.663 -0.2130 1.2505 -0.3034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30975 9800SOL HW230973 6.148 1.533 3.757 0.8369 -0.3375 0.5256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30976 9801SOL OW30974 5.678 0.189 4.292 -0.0454 -0.2212 0.3885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30977 9801SOL HW130975 5.610 0.197 4.219 0.2709 -0.8686 0.0154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30978 9801SOL HW230976 5.634 0.208 4.380 -0.7714 -0.8241 0.1744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30979 9802SOL OW30977 6.739 1.289 4.132 -0.4842 -0.5705 0.2874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30980 9802SOL HW130978 6.787 1.204 4.152 0.6520 0.3247 1.5428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30981 9802SOL HW230979 6.652 1.291 4.182 0.5366 -0.0459 2.1257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30982 9803SOL OW30980 6.145 1.107 5.113 -0.0921 -0.0221 0.4995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30983 9803SOL HW130981 6.156 1.199 5.150 2.4362 -1.2022 3.0566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30984 9803SOL HW230982 6.048 1.088 5.100 -0.7612 2.4665 1.2910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30985 9804SOL OW30983 6.616 0.757 3.850 -0.2145 -0.0233 -0.6635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30986 9804SOL HW130984 6.666 0.841 3.828 1.3734 -0.8685 -0.4421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30987 9804SOL HW230985 6.671 0.701 3.912 -0.7817 -1.6907 -1.5997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30988 9805SOL OW30986 6.865 1.662 3.618 -0.1318 -0.4578 0.2143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30989 9805SOL HW130987 6.832 1.574 3.586 -2.4015 -0.3985 2.1032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30990 9805SOL HW230988 6.842 1.733 3.551 1.5863 -1.2160 -1.2447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30991 9806SOL OW30989 5.971 1.291 5.245 0.3099 0.7491 0.3327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30992 9806SOL HW130990 5.939 1.339 5.163 -0.1037 1.6595 1.0193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30993 9806SOL HW230991 5.936 1.197 5.243 0.9677 0.4978 -0.9216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30994 9807SOL OW30992 6.535 0.969 4.161 0.6129 0.1735 0.0317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30995 9807SOL HW130993 6.633 0.968 4.145 0.5813 1.1799 -0.2689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30996 9807SOL HW230994 6.487 0.961 4.074 0.4331 1.0743 0.0440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30997 9808SOL OW30995 6.541 0.047 4.755 -0.2752 -0.0690 0.0438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30998 9808SOL HW130996 6.596 0.021 4.676 -2.7565 1.3982 -2.3409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
30999 9808SOL HW230997 6.476 -0.027 4.775 -3.1457 1.4338 -2.7927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31000 9809SOL OW30998 6.333 1.414 4.150 -0.1863 0.6749 -0.0907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31001 9809SOL HW130999 6.237 1.393 4.164 -0.4574 0.4182 -1.9998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31002 9809SOL HW231000 6.344 1.512 4.134 -0.0109 0.8222 0.8838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31003 9810SOL OW31001 5.707 1.279 4.051 -0.0251 0.5423 -0.1028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31004 9810SOL HW131002 5.609 1.292 4.037 0.4674 3.0813 -2.0236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31005 9810SOL HW231003 5.739 1.340 4.123 0.3215 0.7361 -0.4120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31006 9811SOL OW31004 5.899 0.899 5.547 -0.1070 -0.0256 0.4318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31007 9811SOL HW131005 5.852 0.839 5.482 -2.3205 1.5205 0.4982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31008 9811SOL HW231006 5.997 0.888 5.537 -0.4125 -1.3906 -1.6984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31009 9812SOL OW31007 6.076 0.219 5.237 -0.2326 0.0030 0.4122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31010 9812SOL HW131008 6.022 0.135 5.250 1.2490 -0.8181 1.4777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31011 9812SOL HW231009 6.173 0.195 5.228 0.3116 1.6662 1.5536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31012 9813SOL OW31010 5.561 0.392 3.626 0.0247 0.8225 -0.6703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31013 9813SOL HW131011 5.466 0.371 3.602 0.3670 -0.6787 -0.7901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31014 9813SOL HW231012 5.592 0.469 3.571 -0.5946 0.2295 -1.9031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31015 9814SOL OW31013 6.934 0.701 4.968 0.2291 -0.4920 -0.3409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31016 9814SOL HW131014 6.923 0.777 4.904 0.6224 -1.1376 -1.1890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31017 9814SOL HW231015 6.884 0.621 4.935 -2.8000 0.2184 2.0481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31018 9815SOL OW31016 5.313 0.420 3.908 0.1413 0.0627 -0.3662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31019 9815SOL HW131017 5.391 0.383 3.958 -0.9782 -0.0543 1.3965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31020 9815SOL HW231018 5.267 0.345 3.860 0.6668 0.0128 -0.8062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31021 9816SOL OW31019 6.789 0.967 4.082 0.1674 -0.4628 0.5827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31022 9816SOL HW131020 6.885 0.973 4.110 0.1023 -0.4096 0.7956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31023 9816SOL HW231021 6.783 0.962 3.982 0.2687 2.4625 0.3333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31024 9817SOL OW31022 6.276 1.048 4.894 0.5066 -0.3801 -0.0039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31025 9817SOL HW131023 6.208 1.081 4.960 1.2527 2.5144 -0.5851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31026 9817SOL HW231024 6.362 1.031 4.942 0.5500 0.0063 0.0593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31027 9818SOL OW31025 7.053 1.828 4.790 0.1908 0.2203 0.2253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31028 9818SOL HW131026 7.095 1.749 4.746 -0.9332 -0.1723 -0.1761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31029 9818SOL HW231027 7.116 1.865 4.858 0.6755 -1.1147 0.5377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31030 9819SOL OW31028 6.403 0.345 5.435 0.4045 -0.1081 0.3307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31031 9819SOL HW131029 6.469 0.356 5.510 0.6156 0.4687 0.0670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31032 9819SOL HW231030 6.319 0.306 5.471 0.8685 -0.8099 0.6819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31033 9820SOL OW31031 7.062 1.382 5.537 0.2402 -0.3848 -0.1981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31034 9820SOL HW131032 7.003 1.395 5.617 1.1828 -0.7085 0.5765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31035 9820SOL HW231033 7.019 1.317 5.474 -0.7088 0.1963 -0.1728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31036 9821SOL OW31034 5.747 1.543 5.292 0.0046 0.3171 -0.5387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31037 9821SOL HW131035 5.672 1.608 5.306 -0.6325 -0.6804 0.9703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31038 9821SOL HW231036 5.768 1.497 5.379 1.7520 -0.1007 -1.1426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31039 9822SOL OW31037 7.257 1.143 5.034 0.1282 -0.0091 -0.0202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31040 9822SOL HW131038 7.266 1.243 5.037 -1.1306 0.1140 0.1263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31041 9822SOL HW231039 7.316 1.107 4.962 2.0179 0.6331 1.1390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31042 9823SOL OW31040 6.776 0.137 4.098 -0.0037 -0.3190 0.4455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31043 9823SOL HW131041 6.842 0.061 4.098 1.5865 1.0048 -0.5172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31044 9823SOL HW231042 6.762 0.169 4.191 -1.1729 -2.1418 0.9556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31045 9824SOL OW31043 5.963 0.771 4.372 -0.0638 0.2365 -0.1930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31046 9824SOL HW131044 6.048 0.806 4.335 0.3466 -0.6231 -0.1027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31047 9824SOL HW231045 5.915 0.717 4.303 0.4640 -0.9589 0.3406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31048 9825SOL OW31046 6.943 1.207 5.380 -0.0613 0.2390 0.6717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31049 9825SOL HW131047 6.966 1.133 5.442 2.2601 -0.1056 -0.4961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31050 9825SOL HW231048 6.967 1.182 5.286 1.2141 2.5750 0.2833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31051 9826SOL OW31049 6.297 1.271 3.924 0.3702 0.5268 -0.0533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31052 9826SOL HW131050 6.351 1.187 3.914 -1.9508 -1.0574 0.0498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31053 9826SOL HW231051 6.302 1.302 4.019 1.3145 0.5791 -0.1077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31054 9827SOL OW31052 6.287 1.786 4.402 -0.2092 0.1645 0.0526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31055 9827SOL HW131053 6.198 1.829 4.385 -0.5353 -0.4299 0.2455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31056 9827SOL HW231054 6.279 1.720 4.476 0.1539 -0.6634 -0.6327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31057 9828SOL OW31055 6.349 0.703 4.524 0.1576 -0.3891 -0.2198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31058 9828SOL HW131056 6.429 0.693 4.465 -0.1381 -1.0045 -0.5200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31059 9828SOL HW231057 6.375 0.756 4.605 0.8156 -0.3937 -0.4164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31060 9829SOL OW31058 6.815 0.929 3.805 0.2309 0.1724 0.0021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31061 9829SOL HW131059 6.831 1.005 3.742 -1.0198 -0.7938 -1.5616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31062 9829SOL HW231060 6.898 0.873 3.811 -0.2416 -0.9156 -2.5445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31063 9830SOL OW31061 7.197 1.624 4.619 0.9280 0.7012 -0.2002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31064 9830SOL HW131062 7.105 1.616 4.583 0.9530 1.2281 -0.3773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31065 9830SOL HW231063 7.218 1.543 4.674 0.0347 0.9920 0.5873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31066 9831SOL OW31064 5.842 1.160 5.590 -0.2827 -0.6083 0.5685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31067 9831SOL HW131065 5.860 1.064 5.568 2.0651 -0.7868 2.8070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31068 9831SOL HW231066 5.875 1.180 5.682 -0.0491 2.5361 -0.0879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31069 9832SOL OW31067 5.644 1.081 4.316 0.1325 0.0030 -0.1232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31070 9832SOL HW131068 5.647 0.999 4.373 -0.1077 1.1556 1.6050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31071 9832SOL HW231069 5.736 1.121 4.311 0.7874 -1.5468 -2.8763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31072 9833SOL OW31070 5.990 1.678 5.231 0.5268 -0.3090 -0.4849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31073 9833SOL HW131071 6.012 1.750 5.297 -2.2410 0.0585 0.1337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31074 9833SOL HW231072 5.903 1.636 5.254 0.3820 -1.4883 -2.8327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31075 9834SOL OW31073 6.909 0.128 4.991 -0.2409 -0.4605 0.0198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31076 9834SOL HW131074 6.835 0.128 5.058 -1.4590 -1.1596 -1.2698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31077 9834SOL HW231075 6.975 0.200 5.014 -0.1430 -1.2046 2.4186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31078 9835SOL OW31076 5.948 0.292 4.258 -0.1154 -0.2644 -0.5681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31079 9835SOL HW131077 5.975 0.270 4.164 -2.8803 -0.0416 -1.5020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31080 9835SOL HW231078 5.865 0.242 4.282 0.5551 -0.3479 1.8179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31081 9836SOL OW31079 5.929 0.602 5.043 0.0440 -0.1353 0.1903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31082 9836SOL HW131080 5.993 0.556 5.104 0.7215 -0.6398 -0.8639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31083 9836SOL HW231081 5.945 0.571 4.949 -0.5016 1.1486 -0.3434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31084 9837SOL OW31082 6.368 1.668 4.104 -0.0259 -0.4495 0.0230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31085 9837SOL HW131083 6.436 1.675 4.031 -1.2426 -0.8941 -1.1995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31086 9837SOL HW231084 6.390 1.732 4.177 0.5765 0.8894 -1.2881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31087 9838SOL OW31085 6.905 0.050 4.720 -0.5416 0.1897 0.4318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31088 9838SOL HW131086 6.839 -0.021 4.698 -0.1842 -0.1361 0.4222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31089 9838SOL HW231087 6.895 0.077 4.816 0.3398 -0.9777 0.8810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31090 9839SOL OW31088 6.627 0.011 5.110 0.0220 -0.3302 -0.2481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31091 9839SOL HW131089 6.555 0.080 5.106 -0.3162 -0.6534 0.0506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31092 9839SOL HW231090 6.613 -0.057 5.038 0.3254 -0.1050 -0.5120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31093 9840SOL OW31091 6.429 1.040 3.892 0.3706 -0.3932 -0.3268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31094 9840SOL HW131092 6.370 0.959 3.893 1.5441 -1.2843 0.5651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31095 9840SOL HW231093 6.502 1.027 3.825 -0.8951 1.0854 -2.0770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31096 9841SOL OW31094 6.112 1.472 4.642 0.3402 -0.3507 -0.8678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31097 9841SOL HW131095 6.152 1.515 4.723 -1.6791 -0.1717 0.1018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31098 9841SOL HW231096 6.159 1.385 4.624 1.9623 0.4340 -0.5865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31099 9842SOL OW31097 6.918 7.223 3.787 -0.2749 0.1111 -0.5036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31100 9842SOL HW131098 6.967 7.241 3.872 -0.2051 0.3631 -0.5952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31101 9842SOL HW231099 6.859 7.143 3.798 0.3804 -0.3746 -0.4840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31102 9843SOL OW31100 6.686 0.272 4.323 -0.1397 0.6707 -0.2846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31103 9843SOL HW131101 6.589 0.264 4.303 -0.2419 2.0138 -0.3733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31104 9843SOL HW231102 6.705 0.360 4.367 0.9762 0.2621 0.1006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31105 9844SOL OW31103 7.005 0.203 4.523 -0.4301 0.2502 0.0978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31106 9844SOL HW131104 6.970 0.133 4.585 -1.3426 1.1916 0.7005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31107 9844SOL HW231105 7.006 0.291 4.570 -2.5505 1.2940 -1.5933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31108 9845SOL OW31106 5.529 0.864 3.948 0.5819 0.1927 -0.2002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31109 9845SOL HW131107 5.505 0.770 3.922 0.3965 -0.1673 1.1788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31110 9845SOL HW231108 5.628 0.874 3.950 0.6038 -0.0063 -0.2571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31111 9846SOL OW31109 6.710 1.623 3.998 -0.7967 -0.3724 -0.0941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31112 9846SOL HW131110 6.751 1.544 3.952 -1.3382 -1.2767 0.9238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31113 9846SOL HW231111 6.623 1.646 3.955 -1.3818 -1.3185 0.5312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31114 9847SOL OW31112 5.703 0.440 5.761 -0.2460 0.1484 -0.0193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31115 9847SOL HW131113 5.683 0.342 5.772 -0.4836 0.1613 -0.3196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31116 9847SOL HW231114 5.680 0.488 5.845 -1.1781 0.1094 -0.2386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31117 9848SOL OW31115 5.597 0.073 6.643 -0.1371 -0.1218 -0.0209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31118 9848SOL HW131116 5.661 0.015 6.692 -0.1842 1.6103 2.2324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31119 9848SOL HW231117 5.504 0.054 6.675 -0.4755 -0.6487 -1.2419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31120 9849SOL OW31118 5.627 0.411 6.246 -0.0109 0.0324 0.0023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31121 9849SOL HW131119 5.602 0.471 6.170 -0.1700 -1.5474 -1.2389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31122 9849SOL HW231120 5.671 0.465 6.318 2.0699 1.2757 -2.0843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31123 9850SOL OW31121 5.844 1.191 6.624 -0.3221 -0.4845 -0.3068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31124 9850SOL HW131122 5.778 1.131 6.670 -0.5746 -0.8717 -1.1417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31125 9850SOL HW231123 5.808 1.284 6.623 0.2403 -0.2257 1.3243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31126 9851SOL OW31124 6.956 1.563 6.255 0.3080 -0.0722 -0.1684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31127 9851SOL HW131125 6.926 1.579 6.161 1.0675 0.7221 -0.2875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31128 9851SOL HW231126 6.923 1.638 6.313 3.9353 2.2306 -0.7356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31129 9852SOL OW31127 6.635 0.545 6.315 -0.1800 0.3801 0.0252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31130 9852SOL HW131128 6.706 0.615 6.311 -2.0302 2.3620 -0.3929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31131 9852SOL HW231129 6.571 0.567 6.388 -1.0670 -0.6240 -0.4275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31132 9853SOL OW31130 7.238 0.379 5.982 -0.0131 0.5610 0.5905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31133 9853SOL HW131131 7.186 0.313 6.036 2.6236 0.4436 3.2297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31134 9853SOL HW231132 7.331 0.347 5.969 0.3321 2.1342 -1.3117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31135 9854SOL OW31133 6.040 1.051 6.750 -0.1952 0.0722 -0.6747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31136 9854SOL HW131134 5.964 1.110 6.721 1.4447 1.4205 -2.4406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31137 9854SOL HW231135 6.126 1.088 6.717 1.0627 -2.6480 -0.7365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31138 9855SOL OW31136 5.995 0.958 7.193 0.0590 0.0875 -0.0417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31139 9855SOL HW131137 6.080 0.908 7.209 0.1829 0.2943 -0.0411
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31140 9855SOL HW231138 5.943 0.913 7.121 -0.5691 -0.9246 1.0208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31141 9856SOL OW31139 6.292 0.733 6.287 -0.0466 0.0791 0.6833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31142 9856SOL HW131140 6.377 0.695 6.322 0.5995 -0.8962 -1.7283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31143 9856SOL HW231141 6.266 0.813 6.341 2.0965 0.0633 1.8222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31144 9857SOL OW31142 5.723 1.325 6.343 0.2707 -0.0257 -0.4977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31145 9857SOL HW131143 5.772 1.239 6.330 -0.2493 -0.0943 -2.1418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31146 9857SOL HW231144 5.784 1.392 6.385 0.7152 -1.1365 0.7039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31147 9858SOL OW31145 6.776 1.452 7.190 -0.6097 0.5597 0.0344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31148 9858SOL HW131146 6.680 1.474 7.171 -0.7990 0.2892 0.6297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31149 9858SOL HW231147 6.798 1.480 7.284 -0.6145 -0.9374 0.5011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31150 9859SOL OW31148 6.074 0.098 6.689 -0.2033 -0.4593 -0.4659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31151 9859SOL HW131149 6.078 0.032 6.764 2.7445 -0.2777 -0.3400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31152 9859SOL HW231150 6.075 0.049 6.602 -1.0685 -0.6023 -0.4099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31153 9860SOL OW31151 5.960 1.652 6.003 -0.0436 -0.1412 -0.2416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31154 9860SOL HW131152 5.947 1.735 6.057 1.7131 1.1245 -1.6509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31155 9860SOL HW231153 5.983 1.677 5.909 2.9331 -2.1524 -0.1639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31156 9861SOL OW31154 6.099 1.494 6.169 0.0437 -0.2725 0.4198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31157 9861SOL HW131155 6.051 1.539 6.094 -0.3401 -0.3332 0.6305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31158 9861SOL HW231156 6.059 1.404 6.185 -0.4618 0.0984 1.2882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31159 9862SOL OW31157 5.851 1.086 6.367 0.3971 0.1563 0.2900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31160 9862SOL HW131158 5.828 0.990 6.353 -1.1797 0.6252 -0.5782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31161 9862SOL HW231159 5.874 1.101 6.464 2.3494 -1.3706 0.1299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31162 9863SOL OW31160 5.998 1.766 6.988 0.1793 0.4222 0.0994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31163 9863SOL HW131161 5.924 1.806 7.041 -0.1819 1.4918 -1.1733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31164 9863SOL HW231162 6.057 1.839 6.951 0.0599 -0.2333 -1.4726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31165 9864SOL OW31163 6.209 0.841 5.821 -0.0838 0.3456 0.3593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31166 9864SOL HW131164 6.218 0.894 5.736 -0.9011 0.3719 0.2843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31167 9864SOL HW231165 6.257 0.889 5.894 -1.6928 1.7701 0.5368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31168 9865SOL OW31166 6.780 0.162 7.108 0.0243 0.3587 0.0551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31169 9865SOL HW131167 6.871 0.205 7.105 0.1009 0.1494 -1.6345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31170 9865SOL HW231168 6.742 0.171 7.200 1.7758 0.4008 0.8161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31171 9866SOL OW31169 5.546 0.572 6.015 -0.1851 -0.0476 0.0313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31172 9866SOL HW131170 5.456 0.573 5.970 -0.4818 -0.6857 0.6032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31173 9866SOL HW231171 5.565 0.663 6.052 0.0257 0.4758 -1.2815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31174 9867SOL OW31172 5.650 1.485 5.787 -0.0083 -0.3507 0.5812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31175 9867SOL HW131173 5.578 1.417 5.797 -1.0061 0.4926 -0.6377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31176 9867SOL HW231174 5.666 1.530 5.875 -1.0606 -0.4480 0.8332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31177 9868SOL OW31175 6.788 1.616 6.027 0.1059 0.3420 0.0652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31178 9868SOL HW131176 6.862 1.600 5.962 1.4815 0.5549 1.5005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31179 9868SOL HW231177 6.710 1.657 5.980 0.6968 -0.3599 -1.5867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31180 9869SOL OW31178 5.621 0.668 7.046 -0.5504 0.2862 -0.2963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31181 9869SOL HW131179 5.708 0.622 7.067 -1.6891 -1.6224 0.6393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31182 9869SOL HW231180 5.631 0.723 6.964 1.6130 0.3814 -0.0425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31183 9870SOL OW31181 6.138 1.340 6.483 -0.2413 0.7030 -0.2152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31184 9870SOL HW131182 6.116 1.313 6.389 0.5963 0.1190 -0.2578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31185 9870SOL HW231183 6.149 1.439 6.488 -0.0249 0.7155 -0.8048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31186 9871SOL OW31184 6.545 1.232 7.200 -0.0343 0.1889 -0.2958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31187 9871SOL HW131185 6.627 1.175 7.189 1.0441 1.4965 0.4944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31188 9871SOL HW231186 6.566 1.325 7.170 -0.1371 1.3516 2.8625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31189 9872SOL OW31187 6.290 7.221 5.924 0.1378 -0.0929 0.3322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31190 9872SOL HW131188 6.341 7.273 5.856 3.5856 -3.4902 0.0025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31191 9872SOL HW231189 6.193 7.221 5.900 0.6908 1.8797 -2.4098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31192 9873SOL OW31190 5.568 0.772 6.798 0.2349 -0.1891 -0.2296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31193 9873SOL HW131191 5.573 0.677 6.768 0.2228 -0.6119 1.0503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31194 9873SOL HW231192 5.477 0.792 6.832 -0.0339 0.5662 -1.3172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31195 9874SOL OW31193 6.887 1.001 5.994 0.1847 -0.1244 -0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31196 9874SOL HW131194 6.887 0.934 6.068 -1.2734 1.1061 1.1029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31197 9874SOL HW231195 6.974 1.051 5.994 -0.3957 0.9964 1.9360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31198 9875SOL OW31196 7.019 1.677 7.047 0.4033 0.4978 -0.5822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31199 9875SOL HW131197 7.060 1.712 6.963 2.2018 0.4895 0.2343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31200 9875SOL HW231198 7.033 1.578 7.051 0.9818 0.5962 0.0421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31201 9876SOL OW31199 5.562 0.294 7.173 -0.2508 0.1102 -0.0787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31202 9876SOL HW131200 5.570 0.386 7.211 -0.9866 0.3868 -0.5764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31203 9876SOL HW231201 5.633 0.280 7.104 -0.2334 0.3564 -0.1112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31204 9877SOL OW31202 6.915 1.452 6.561 -0.3261 0.2769 0.6008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31205 9877SOL HW131203 6.949 1.501 6.480 -0.2827 0.1100 0.5181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31206 9877SOL HW231204 6.979 1.465 6.637 -0.5881 0.8021 0.7401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31207 9878SOL OW31205 7.221 2.024 6.538 0.5986 0.2072 0.1593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31208 9878SOL HW131206 7.235 1.927 6.523 0.3554 0.1221 0.4824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31209 9878SOL HW231207 7.133 2.039 6.583 -0.1025 0.6975 -1.3350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31210 9879SOL OW31208 6.152 0.595 5.963 -0.0170 -0.4146 -0.1661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31211 9879SOL HW131209 6.188 0.683 5.931 0.2337 0.1231 1.4931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31212 9879SOL HW231210 6.055 0.604 5.986 -0.2911 -0.8898 -1.1112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31213 9880SOL OW31211 6.737 0.440 6.573 0.1219 0.0949 -0.1141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31214 9880SOL HW131212 6.706 0.346 6.561 -0.0039 0.3292 -1.9578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31215 9880SOL HW231213 6.673 0.489 6.632 -0.7431 -0.5453 -0.5015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31216 9881SOL OW31214 7.054 1.782 5.903 -0.1822 0.6416 -0.5375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31217 9881SOL HW131215 7.123 1.848 5.874 -0.6033 1.5480 0.4674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31218 9881SOL HW231216 6.964 1.811 5.872 -0.2066 -0.2824 -1.4111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31219 9882SOL OW31217 6.207 0.435 6.970 0.1556 0.3674 -0.2347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31220 9882SOL HW131218 6.275 0.377 7.015 0.6776 0.8370 -0.4058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31221 9882SOL HW231219 6.192 0.402 6.877 -0.3310 -0.1228 0.0147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31222 9883SOL OW31220 6.246 0.853 7.225 -0.5983 0.3414 -0.2393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31223 9883SOL HW131221 6.256 0.767 7.175 0.6695 0.3175 0.0404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31224 9883SOL HW231222 6.287 0.928 7.172 -0.2609 0.5042 0.2462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31225 9884SOL OW31223 6.520 0.270 6.745 -0.4483 -0.1300 0.1480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31226 9884SOL HW131224 6.420 0.266 6.746 -0.4280 -0.9810 1.1694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31227 9884SOL HW231225 6.554 0.223 6.663 -0.8971 1.5723 -1.0576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31228 9885SOL OW31226 6.494 0.557 6.040 0.0086 -0.0299 0.0751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31229 9885SOL HW131227 6.396 0.571 6.046 -0.1623 -1.5142 1.7697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31230 9885SOL HW231228 6.539 0.599 6.119 0.3652 -1.7921 0.8598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31231 9886SOL OW31229 5.473 0.699 6.332 0.0773 0.0550 0.2756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31232 9886SOL HW131230 5.515 0.744 6.253 -0.0251 0.5230 0.4802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31233 9886SOL HW231231 5.529 0.716 6.413 0.2755 -0.5725 0.2681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31234 9887SOL OW31232 5.737 1.960 7.003 -0.2309 -0.2463 0.1159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31235 9887SOL HW131233 5.699 1.936 7.093 -3.5888 1.1192 -0.7631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31236 9887SOL HW231234 5.696 1.900 6.933 1.7241 -0.7556 -0.6597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31237 9888SOL OW31235 6.301 0.311 5.764 0.5124 -0.5349 -0.3602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31238 9888SOL HW131236 6.364 0.386 5.744 -0.7962 0.7902 0.2203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31239 9888SOL HW231237 6.231 0.306 5.692 0.2081 -0.7476 -0.0565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31240 9889SOL OW31238 6.637 1.049 6.039 0.4476 -0.4420 -0.3010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31241 9889SOL HW131239 6.604 1.117 5.973 -0.7845 1.3481 1.9854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31242 9889SOL HW231240 6.733 1.027 6.019 -0.0116 -0.3965 -2.9347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31243 9890SOL OW31241 6.088 7.226 6.430 -0.1913 0.3440 -0.8949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31244 9890SOL HW131242 6.182 7.260 6.426 -0.2377 0.3593 -2.1271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31245 9890SOL HW231243 6.029 7.282 6.372 -0.8659 -0.0160 -0.5677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31246 9891SOL OW31244 6.500 1.394 6.138 1.2697 0.2744 0.2379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31247 9891SOL HW131245 6.444 1.316 6.111 -0.1967 1.2191 0.4385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31248 9891SOL HW231246 6.486 1.469 6.073 0.8661 1.1523 1.3063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31249 9892SOL OW31247 5.681 1.715 6.296 -0.1161 0.0263 0.1248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31250 9892SOL HW131248 5.599 1.699 6.351 -1.4822 -4.2983 -2.5951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31251 9892SOL HW231249 5.749 1.645 6.316 0.0910 -0.5305 -2.1946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31252 9893SOL OW31250 6.878 1.000 6.384 -0.2131 0.4458 0.2716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31253 9893SOL HW131251 6.787 1.041 6.382 -0.2528 0.4126 0.9981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31254 9893SOL HW231252 6.939 1.050 6.323 -0.1948 1.7561 1.3195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31255 9894SOL OW31253 6.528 1.549 7.131 -0.7693 -0.2958 -0.2946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31256 9894SOL HW131254 6.510 1.576 7.036 -2.4317 -0.6425 -0.0960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31257 9894SOL HW231255 6.469 1.600 7.193 1.7330 1.4711 0.7994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31258 9895SOL OW31256 5.953 0.889 5.809 0.2735 0.3542 -0.0448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31259 9895SOL HW131257 6.051 0.875 5.797 0.1599 -0.5003 -0.0135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31260 9895SOL HW231258 5.908 0.890 5.720 0.2750 0.4746 -0.0440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31261 9896SOL OW31259 7.147 1.170 5.986 0.2939 0.3521 0.4448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31262 9896SOL HW131260 7.234 1.128 6.011 0.0339 -0.3508 0.1859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31263 9896SOL HW231261 7.143 1.182 5.887 -0.4580 -0.9030 0.3025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31264 9897SOL OW31262 5.712 1.178 0.216 0.5342 0.1577 -0.4592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31265 9897SOL HW131263 5.724 1.242 0.140 -1.1784 -0.2093 -1.0888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31266 9897SOL HW231264 5.781 1.106 0.210 -0.0071 -0.2745 -2.1486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31267 9898SOL OW31265 6.569 1.647 5.791 0.4792 0.2717 -0.5658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31268 9898SOL HW131266 6.528 1.650 5.881 1.4970 -1.8793 0.0537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31269 9898SOL HW231267 6.581 1.551 5.763 1.6441 0.8626 -2.2832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31270 9899SOL OW31268 5.927 0.117 6.942 0.1659 -0.4901 -0.0224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31271 9899SOL HW131269 6.027 0.118 6.953 0.2464 0.4058 -0.7266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31272 9899SOL HW231270 5.887 0.191 6.996 -0.1773 -1.1979 0.7051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31273 9900SOL OW31271 6.060 1.810 5.816 0.0661 0.2631 0.1149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31274 9900SOL HW131272 6.085 1.881 5.882 -1.1189 -0.4848 1.4126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31275 9900SOL HW231273 6.122 1.815 5.737 0.6626 2.0505 0.6435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31276 9901SOL OW31274 6.901 0.175 5.930 0.3944 -0.0671 -0.1719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31277 9901SOL HW131275 6.978 0.150 5.871 -0.0924 -0.8823 -0.4970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31278 9901SOL HW231276 6.933 0.230 6.006 0.9578 1.5933 -1.5383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31279 9902SOL OW31277 5.606 1.805 6.822 0.5241 -0.2711 0.2405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31280 9902SOL HW131278 5.589 1.706 6.814 -1.2997 0.1372 -1.6661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31281 9902SOL HW231279 5.664 1.834 6.746 -0.5264 0.4164 -0.3194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31282 9903SOL OW31280 6.503 1.510 6.563 0.2922 0.3199 -0.2508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31283 9903SOL HW131281 6.594 1.484 6.531 1.1798 2.0714 0.7252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31284 9903SOL HW231282 6.435 1.484 6.495 1.7705 1.1464 -2.1235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31285 9904SOL OW31283 5.879 0.553 5.996 -0.1660 0.4557 0.4410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31286 9904SOL HW131284 5.847 0.462 6.023 0.7203 0.2440 0.8276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31287 9904SOL HW231285 5.802 0.617 5.994 -0.5302 0.1066 1.9357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31288 9905SOL OW31286 5.985 7.243 5.538 -0.8357 -0.1975 0.2023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31289 9905SOL HW131287 6.000 7.145 5.528 3.5952 0.4013 -1.7102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31290 9905SOL HW231288 5.942 7.279 5.455 1.9548 -0.0607 -1.3014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31291 9906SOL OW31289 6.394 7.079 0.135 0.3553 0.0139 -0.0109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31292 9906SOL HW131290 6.360 7.038 0.220 1.0570 0.4166 0.4758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31293 9906SOL HW231291 6.365 7.023 0.057 1.5967 -1.6171 0.6555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31294 9907SOL OW31292 6.089 1.355 6.963 -0.2291 0.1754 0.3585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31295 9907SOL HW131293 6.149 1.300 6.905 -0.4110 0.4957 -0.1414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31296 9907SOL HW231294 6.070 1.306 7.048 2.3936 0.8913 1.4615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31297 9908SOL OW31295 6.543 0.697 0.051 -0.8166 -0.4754 -0.0455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31298 9908SOL HW131296 6.547 0.693 -0.049 3.4882 -0.2552 -0.0810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31299 9908SOL HW231297 6.527 0.791 0.080 2.4508 0.4300 -0.7539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31300 9909SOL OW31298 6.257 1.144 6.623 0.1765 -0.1108 -0.2995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31301 9909SOL HW131299 6.356 1.137 6.613 0.1680 0.5311 -0.9208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31302 9909SOL HW231300 6.223 1.217 6.564 -1.0704 -2.5638 -2.8403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31303 9910SOL OW31301 6.306 0.305 6.426 -0.5961 0.0521 0.4223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31304 9910SOL HW131302 6.300 0.247 6.344 1.0395 0.4177 0.0114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31305 9910SOL HW231303 6.290 0.248 6.507 -0.9935 -0.5674 -0.0742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31306 9911SOL OW31304 6.027 7.212 5.963 0.6457 -0.6734 -0.2372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31307 9911SOL HW131305 5.946 7.174 6.007 0.7381 -2.4139 -1.4627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31308 9911SOL HW231306 6.001 7.290 5.907 -0.1779 -1.1268 -0.4957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31309 9912SOL OW31307 6.766 1.112 5.766 0.4731 -0.2512 -0.4959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31310 9912SOL HW131308 6.805 1.051 5.835 1.9402 0.5990 -0.5365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31311 9912SOL HW231309 6.667 1.098 5.762 0.3219 -0.3282 1.7989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31312 9913SOL OW31310 5.691 0.118 5.790 -0.0571 -0.1516 -0.1309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31313 9913SOL HW131311 5.787 0.094 5.781 -0.3506 -0.8435 -1.9512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31314 9913SOL HW231312 5.636 0.035 5.791 -0.6232 0.2136 1.4774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31315 9914SOL OW31313 6.472 0.101 5.761 0.0979 0.2625 0.1988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31316 9914SOL HW131314 6.433 0.192 5.749 0.4843 0.4041 0.0227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31317 9914SOL HW231315 6.540 0.102 5.834 -0.9266 -0.2039 1.1871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31318 9915SOL OW31316 6.377 0.625 7.085 0.3886 -0.0470 -0.2381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31319 9915SOL HW131317 6.305 0.559 7.064 0.2114 -0.2886 1.0452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31320 9915SOL HW231318 6.440 0.586 7.152 -0.9464 1.8131 2.2539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31321 9916SOL OW31319 6.696 1.331 6.453 0.9899 -0.3257 0.4926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31322 9916SOL HW131320 6.734 1.301 6.365 1.5763 -0.1593 0.6811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31323 9916SOL HW231321 6.769 1.373 6.507 0.6284 -0.4224 1.0577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31324 9917SOL OW31322 6.167 0.907 6.494 0.8217 0.0325 0.0173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31325 9917SOL HW131323 6.202 0.979 6.554 0.6471 -0.9731 1.3527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31326 9917SOL HW231324 6.071 0.890 6.514 1.1394 -1.3327 0.5259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31327 9918SOL OW31325 6.905 1.741 6.433 -0.4452 0.5074 -0.5516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31328 9918SOL HW131326 6.987 1.772 6.482 -0.2832 -0.8774 0.0915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31329 9918SOL HW231327 6.836 1.814 6.435 0.8510 1.8095 -1.3716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31330 9919SOL OW31328 6.568 0.408 5.623 -0.6383 0.5150 -0.1774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31331 9919SOL HW131329 6.501 0.482 5.632 -1.3381 -0.2624 1.2702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31332 9919SOL HW231330 6.623 0.403 5.706 -0.0043 -0.0487 -0.6209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31333 9920SOL OW31331 5.819 0.358 7.006 -0.0253 0.4603 -0.3873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31334 9920SOL HW131332 5.853 0.378 6.914 0.2560 0.8969 -0.1883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31335 9920SOL HW231333 5.851 0.428 7.070 -1.2651 0.8781 -0.1909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31336 9921SOL OW31334 6.361 0.064 6.576 0.0869 -0.4167 -0.1101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31337 9921SOL HW131335 6.401 0.015 6.654 1.1115 3.5906 2.1812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31338 9921SOL HW231336 6.423 0.060 6.499 0.2364 -2.3705 0.0571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31339 9922SOL OW31337 6.231 0.116 6.173 -0.1803 -0.3717 -0.2093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31340 9922SOL HW131338 6.203 0.207 6.145 -1.3970 -0.5928 0.1881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31341 9922SOL HW231339 6.257 0.062 6.093 0.0830 0.1695 -0.4919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31342 9923SOL OW31340 6.530 0.105 6.353 0.0894 0.3210 -0.2039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31343 9923SOL HW131341 6.580 0.186 6.319 -1.6135 1.1193 -0.9132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31344 9923SOL HW231342 6.499 0.051 6.275 -1.1726 0.4914 0.1690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31345 9924SOL OW31343 6.989 1.203 6.221 -0.9034 0.1873 -0.5552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31346 9924SOL HW131344 6.908 1.260 6.205 0.4046 1.8769 -1.4669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31347 9924SOL HW231345 7.044 1.200 6.138 0.1962 -0.5727 0.1854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31348 9925SOL OW31346 6.892 0.758 6.636 -0.1885 -0.3911 -0.0062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31349 9925SOL HW131347 6.863 0.723 6.724 -0.7082 -0.5332 -0.2288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31350 9925SOL HW231348 6.953 0.693 6.591 1.8105 0.5879 1.1470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31351 9926SOL OW31349 7.201 0.647 6.021 -0.9022 0.7340 -0.2215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31352 9926SOL HW131350 7.245 0.661 6.110 -1.2956 0.2341 0.0565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31353 9926SOL HW231351 7.207 0.551 5.996 0.1930 1.0516 -1.2693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31354 9927SOL OW31352 5.954 1.538 5.674 -0.0051 0.0968 -0.1719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31355 9927SOL HW131353 5.955 1.473 5.598 -1.5892 -0.9121 0.6128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31356 9927SOL HW231354 5.905 1.621 5.646 2.4186 1.2455 -1.3270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31357 9928SOL OW31355 6.768 0.699 5.810 -0.0619 -0.2370 -0.3163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31358 9928SOL HW131356 6.784 0.600 5.820 3.8096 0.3007 0.6889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31359 9928SOL HW231357 6.813 0.731 5.726 -1.8162 0.6360 -0.9667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31360 9929SOL OW31358 5.960 0.129 5.775 0.2456 -0.2117 0.6282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31361 9929SOL HW131359 5.983 0.095 5.683 1.0106 -0.1798 0.7991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31362 9929SOL HW231360 5.995 0.222 5.786 -0.3090 -0.0181 0.7725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31363 9930SOL OW31361 6.307 1.060 7.093 0.0161 0.1959 0.1896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31364 9930SOL HW131362 6.227 1.120 7.092 -0.3590 -0.2990 0.2971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31365 9930SOL HW231363 6.390 1.115 7.091 -0.3211 0.7320 0.8516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31366 9931SOL OW31364 6.537 1.200 6.885 -0.4862 0.5066 0.6638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31367 9931SOL HW131365 6.518 1.288 6.927 1.3685 0.9742 0.5876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31368 9931SOL HW231366 6.499 1.199 6.792 -0.2613 1.3364 0.5575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31369 9932SOL OW31367 7.011 1.187 6.677 -0.2566 0.0488 0.1062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31370 9932SOL HW131368 7.003 1.263 6.741 0.7341 -0.3902 0.7775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31371 9932SOL HW231369 6.934 1.125 6.689 -0.1472 0.0411 0.7779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31372 9933SOL OW31370 6.611 0.095 6.931 0.4686 0.0631 0.6887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31373 9933SOL HW131371 6.590 0.176 6.875 -0.4853 0.6243 1.8156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31374 9933SOL HW231372 6.684 0.117 6.995 1.2386 -0.4413 0.0073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31375 9934SOL OW31373 6.337 0.912 6.076 0.5877 0.1333 -0.0653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31376 9934SOL HW131374 6.316 0.854 6.154 -0.9623 1.4861 0.5936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31377 9934SOL HW231375 6.433 0.940 6.080 0.5499 0.1436 1.3580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31378 9935SOL OW31376 5.892 0.599 6.714 -0.0992 -0.3768 0.5579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31379 9935SOL HW131377 5.931 0.649 6.792 1.3535 -0.8014 0.1393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31380 9935SOL HW231378 5.901 0.501 6.730 0.6588 -0.4708 -0.3259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31381 9936SOL OW31379 6.618 0.504 7.121 -0.3041 -0.7476 -0.6552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31382 9936SOL HW131380 6.716 0.518 7.135 -0.2360 -0.2449 -1.4992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31383 9936SOL HW231381 6.599 0.502 7.022 -1.2804 0.2101 -0.5017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31384 9937SOL OW31382 5.795 1.549 7.077 0.2257 -0.5731 -0.1833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31385 9937SOL HW131383 5.824 1.551 6.981 -0.5701 0.1722 -0.4160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31386 9937SOL HW231384 5.843 1.622 7.127 -0.1640 -0.2648 -0.2552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31387 9938SOL OW31385 6.020 1.115 5.966 0.0964 0.6708 -0.0386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31388 9938SOL HW131386 5.992 1.189 5.904 -0.0879 -0.2223 -1.0453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31389 9938SOL HW231387 5.970 1.032 5.943 -0.1874 0.3818 1.5201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31390 9939SOL OW31388 5.968 0.145 6.260 -0.4790 -0.0598 0.1094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31391 9939SOL HW131389 5.930 0.211 6.195 0.9990 1.4458 0.7214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31392 9939SOL HW231390 6.055 0.111 6.225 -0.9977 -1.3705 0.0319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31393 9940SOL OW31391 6.764 1.345 6.179 0.6523 -0.6743 0.3729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31394 9940SOL HW131392 6.799 1.437 6.193 0.9470 -0.9237 1.3590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31395 9940SOL HW231393 6.664 1.348 6.170 0.7422 -0.1638 -0.5783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31396 9941SOL OW31394 6.803 1.045 6.751 -0.5787 0.2082 0.3342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31397 9941SOL HW131395 6.760 1.011 6.834 -2.6085 0.0587 -0.7171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31398 9941SOL HW231396 6.782 0.984 6.675 -1.8073 2.1562 -0.9896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31399 9942SOL OW31397 6.954 0.458 6.308 0.0921 0.1393 -0.4726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31400 9942SOL HW131398 6.940 0.421 6.400 -0.4034 0.7784 -0.2767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31401 9942SOL HW231399 6.943 0.557 6.311 1.1463 0.2801 -1.0280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31402 9943SOL OW31400 5.549 1.547 6.747 -0.0057 0.4456 0.0029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31403 9943SOL HW131401 5.512 1.501 6.666 -0.3864 1.3835 -0.3624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31404 9943SOL HW231402 5.519 1.499 6.829 -0.3601 0.0130 -0.3731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31405 9944SOL OW31403 5.902 0.606 7.085 0.0048 0.4923 -0.7876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31406 9944SOL HW131404 5.969 0.652 7.027 -2.5137 4.6831 -0.7303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31407 9944SOL HW231405 5.924 0.623 7.181 0.2324 -0.3566 -0.6803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31408 9945SOL OW31406 7.090 0.802 7.170 -0.1528 0.1893 -0.9624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31409 9945SOL HW131407 7.124 0.867 7.238 0.8354 -1.3180 0.0321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31410 9945SOL HW231408 7.097 0.843 7.079 -0.6161 1.8858 -0.2727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31411 9946SOL OW31409 5.908 0.878 6.578 -0.0331 -0.0639 0.4358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31412 9946SOL HW131410 5.916 0.886 6.677 1.5826 -0.6823 0.3949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31413 9946SOL HW231411 5.813 0.891 6.550 -0.2001 2.1314 1.8568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31414 9947SOL OW31412 6.622 0.821 6.672 0.1045 0.1125 -0.0533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31415 9947SOL HW131413 6.548 0.761 6.642 0.1861 0.7022 -1.5605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31416 9947SOL HW231414 6.705 0.799 6.620 1.2427 -1.0302 2.1103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31417 9948SOL OW31415 6.690 0.414 5.878 0.5006 0.2798 -0.5192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31418 9948SOL HW131416 6.681 0.319 5.907 1.1480 0.2990 -0.2395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31419 9948SOL HW231417 6.645 0.474 5.944 -0.1729 0.1530 -0.8534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31420 9949SOL OW31418 5.343 0.044 6.761 -0.8002 -0.3936 -0.7359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31421 9949SOL HW131419 5.373 0.079 6.850 -0.2596 -4.3477 0.8287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31422 9949SOL HW231420 5.249 0.010 6.768 -0.3343 -1.8583 -1.2955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31423 9950SOL OW31421 5.674 1.055 6.760 0.6171 -0.0017 0.2209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31424 9950SOL HW131422 5.646 0.959 6.765 -1.3970 0.3484 -2.3617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31425 9950SOL HW231423 5.657 1.099 6.848 2.0668 -2.0465 1.6345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31426 9951SOL OW31424 6.138 0.578 6.600 -0.2842 -0.5993 0.2125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31427 9951SOL HW131425 6.142 0.615 6.507 0.0344 -0.6237 0.2148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31428 9951SOL HW231426 6.060 0.617 6.648 0.2292 0.3143 0.3185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31429 9952SOL OW31427 5.786 7.167 6.070 -0.1849 -0.5862 -0.6429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31430 9952SOL HW131428 5.712 7.154 6.004 0.0087 0.5666 -1.1011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31431 9952SOL HW231429 5.756 7.227 6.144 -0.0920 -1.1204 -0.1552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31432 9953SOL OW31430 7.030 0.262 6.136 0.3040 0.0693 -0.1291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31433 9953SOL HW131431 7.097 0.220 6.197 -0.5054 -0.9939 0.0604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31434 9953SOL HW231432 6.994 0.345 6.178 -0.4475 -0.8014 0.9854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31435 9954SOL OW31433 6.594 0.498 6.847 -0.2503 -0.9063 0.2252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31436 9954SOL HW131434 6.514 0.559 6.846 -0.4841 -1.1965 0.7717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31437 9954SOL HW231435 6.567 0.408 6.812 0.2668 -0.5075 -1.2753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31438 9955SOL OW31436 6.997 0.435 5.725 0.3954 0.8672 0.2854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31439 9955SOL HW131437 6.919 0.379 5.753 -0.0682 0.3641 -1.8147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31440 9955SOL HW231438 7.077 0.411 5.780 -0.1975 -0.6989 0.5211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31441 9956SOL OW31439 6.712 0.768 5.288 0.1760 0.1986 0.8032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31442 9956SOL HW131440 6.762 0.855 5.286 0.1424 0.2239 1.0432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31443 9956SOL HW231441 6.765 0.700 5.339 0.1492 0.1100 0.7140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31444 9957SOL OW31442 6.523 1.140 6.616 0.1740 0.1644 -0.2241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31445 9957SOL HW131443 6.566 1.053 6.592 2.9249 1.0360 1.0585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31446 9957SOL HW231444 6.575 1.215 6.575 -1.3414 1.2850 -0.1908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31447 9958SOL OW31445 5.813 0.798 6.297 0.0760 0.2789 -0.2797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31448 9958SOL HW131446 5.894 0.747 6.267 1.8329 2.9552 -0.4361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31449 9958SOL HW231447 5.782 0.761 6.385 0.7834 -1.5005 -0.7377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31450 9959SOL OW31448 5.775 0.241 6.496 0.1309 -0.2760 0.0404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31451 9959SOL HW131449 5.703 0.180 6.529 0.6599 -0.9814 -0.0702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31452 9959SOL HW231450 5.837 0.190 6.436 1.2050 0.0819 0.8126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31453 9960SOL OW31451 6.426 0.321 7.088 -0.9047 -0.0393 0.0885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31454 9960SOL HW131452 6.467 0.235 7.058 -2.4562 -1.0004 0.5460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31455 9960SOL HW231453 6.494 0.376 7.136 0.7205 0.0515 -2.1902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31456 9961SOL OW31454 5.649 1.231 5.963 -0.1429 -0.3543 0.1918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31457 9961SOL HW131455 5.611 1.252 6.053 1.0222 0.3377 0.5465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31458 9961SOL HW231456 5.680 1.136 5.960 0.1744 -0.2662 0.6603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31459 9962SOL OW31457 5.493 1.864 6.488 0.2494 -0.2476 0.5157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31460 9962SOL HW131458 5.473 1.770 6.460 -0.4660 0.2313 -0.7036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31461 9962SOL HW231459 5.580 1.868 6.536 1.6359 -1.1519 -1.7960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31462 9963SOL OW31460 5.884 1.524 6.412 -0.0810 -0.3662 -0.0562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31463 9963SOL HW131461 5.911 1.492 6.502 -0.7561 1.7081 0.9409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31464 9963SOL HW231462 5.954 1.586 6.376 0.1664 -1.1438 -0.9720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31465 9964SOL OW31463 6.354 0.691 6.712 -0.5627 -0.4614 0.4115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31466 9964SOL HW131464 6.342 0.772 6.769 -1.1251 -2.1563 2.8465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31467 9964SOL HW231465 6.265 0.655 6.685 -0.4718 2.1439 -4.6567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31468 9965SOL OW31466 5.749 0.504 6.484 -0.3309 0.0524 -0.7038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31469 9965SOL HW131467 5.762 0.405 6.476 -1.6890 -0.2589 0.4110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31470 9965SOL HW231468 5.794 0.536 6.568 0.8267 0.5517 -1.4950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31471 9966SOL OW31469 6.175 0.329 6.023 0.3947 -0.3039 -0.3718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31472 9966SOL HW131470 6.231 0.292 5.949 0.6220 0.8820 -0.8199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31473 9966SOL HW231471 6.185 0.428 6.025 -0.3321 -0.2401 0.6722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31474 9967SOL OW31472 5.705 1.562 0.198 0.0459 0.1233 0.1023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31475 9967SOL HW131473 5.673 1.615 0.277 1.2773 -0.6000 1.1383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31476 9967SOL HW231474 5.627 1.529 0.145 -0.9731 -1.5524 2.4737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31477 9968SOL OW31475 6.230 0.321 6.695 0.3759 -0.1377 -0.1478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31478 9968SOL HW131476 6.175 0.238 6.687 0.5821 -0.1938 -1.1239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31479 9968SOL HW231477 6.182 0.397 6.652 1.3632 -0.3529 -1.7215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31480 9969SOL OW31478 6.135 1.588 7.143 0.1649 0.5115 0.2590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31481 9969SOL HW131479 6.180 1.514 7.093 2.4384 1.3191 0.9417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31482 9969SOL HW231480 6.093 1.651 7.079 -0.4695 -0.5616 -0.4007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31483 9970SOL OW31481 6.003 0.428 5.750 0.4737 0.0720 0.2576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31484 9970SOL HW131482 6.059 0.473 5.819 -0.1138 -0.3029 0.9915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31485 9970SOL HW231483 5.907 0.427 5.778 0.2940 -0.5348 -0.3178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31486 9971SOL OW31484 5.586 1.103 7.058 -0.1917 0.9805 -0.0843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31487 9971SOL HW131485 5.497 1.110 7.013 0.1365 2.6265 -0.5639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31488 9971SOL HW231486 5.588 1.022 7.117 -1.4935 0.1290 -1.1487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31489 9972SOL OW31487 6.618 0.939 6.940 0.2179 0.2332 0.0980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31490 9972SOL HW131488 6.608 0.886 6.856 0.9965 1.8198 -1.0444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31491 9972SOL HW231489 6.580 1.031 6.927 3.8828 1.9304 0.0144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31492 9973SOL OW31490 6.938 0.725 6.063 0.1041 0.6344 0.3949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31493 9973SOL HW131491 7.031 0.707 6.032 0.0485 -1.7178 1.3438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31494 9973SOL HW231492 6.876 0.718 5.985 0.1419 -3.7183 0.4752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31495 9974SOL OW31493 0.041 1.579 6.751 0.0051 -0.5505 0.2441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31496 9974SOL HW131494 0.093 1.500 6.719 0.4061 -0.7087 1.2502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31497 9974SOL HW231495 0.103 1.644 6.795 -0.5405 -0.3719 0.7547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31498 9975SOL OW31496 6.758 1.566 6.892 -0.0741 -0.0101 0.5363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31499 9975SOL HW131497 6.815 1.605 6.964 0.7511 -0.3596 0.0854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31500 9975SOL HW231498 6.816 1.524 6.822 -0.9011 -0.7979 0.2995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31501 9976SOL OW31499 5.618 0.868 6.507 -0.3737 -0.3621 -0.4225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31502 9976SOL HW131500 5.601 0.867 6.605 0.8009 -0.1793 -0.1932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31503 9976SOL HW231501 5.565 0.941 6.464 0.3784 0.6672 0.3505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31504 9977SOL OW31502 6.579 1.818 6.122 -0.4404 -0.0065 -0.1208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31505 9977SOL HW131503 6.596 1.883 6.196 0.8982 0.7934 -1.0715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31506 9977SOL HW231504 6.618 1.729 6.146 1.1894 0.6007 -0.3697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31507 9978SOL OW31505 6.796 0.757 6.284 0.3266 -0.1562 0.1662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31508 9978SOL HW131506 6.836 0.832 6.337 -1.2583 1.8073 -1.2906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31509 9978SOL HW231507 6.849 0.742 6.201 0.0933 -0.0042 -0.0097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31510 9979SOL OW31508 6.079 1.216 7.204 -0.2044 -0.2192 -0.0392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31511 9979SOL HW131509 6.051 1.272 7.282 -2.8093 -1.6316 0.1197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31512 9979SOL HW231510 6.061 1.120 7.223 1.3563 -0.8633 -1.4956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31513 9980SOL OW31511 6.207 1.536 5.752 0.2278 0.3308 -0.1298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31514 9980SOL HW131512 6.253 1.545 5.664 1.2629 1.0680 0.4793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31515 9980SOL HW231513 6.108 1.525 5.736 0.5422 -1.0179 -1.4299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31516 9981SOL OW31514 5.593 0.117 6.188 -0.1803 -0.5827 0.1138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31517 9981SOL HW131515 5.591 0.194 6.253 0.7853 -0.0487 -0.4637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31518 9981SOL HW231516 5.580 0.031 6.238 -2.8911 0.0033 0.5980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31519 9982SOL OW31517 6.653 1.388 5.720 0.4247 -0.7663 -0.0462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31520 9982SOL HW131518 6.660 1.290 5.740 -1.1203 -1.2336 -1.5469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31521 9982SOL HW231519 6.647 1.401 5.621 -2.3525 0.6032 0.2135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31522 9983SOL OW31520 6.244 0.910 6.873 0.0299 0.4002 0.6974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31523 9983SOL HW131521 6.165 0.967 6.851 -0.7277 -0.6517 0.6112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31524 9983SOL HW231522 6.302 0.957 6.939 -0.4165 1.3792 0.4130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31525 9984SOL OW31523 6.523 0.811 5.761 -0.2076 0.1781 -0.8749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31526 9984SOL HW131524 6.556 0.857 5.678 0.9243 -0.3108 -0.7135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31527 9984SOL HW231525 6.595 0.751 5.796 -1.2353 -0.8233 -0.4259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31528 9985SOL OW31526 6.824 1.793 5.495 -0.0952 0.1121 -0.3224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31529 9985SOL HW131527 6.790 1.757 5.407 0.4189 0.6740 -0.7587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31530 9985SOL HW231528 6.922 1.776 5.502 0.4870 2.6956 -1.2211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31531 9986SOL OW31529 5.692 1.328 7.217 -0.3295 -0.9893 -0.3322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31532 9986SOL HW131530 5.735 1.396 7.157 -0.5416 -1.0316 -0.5320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31533 9986SOL HW231531 5.654 1.254 7.162 -2.2331 -0.0792 -0.3088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31534 9987SOL OW31532 6.573 0.940 6.291 0.2049 -0.0513 -0.0510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31535 9987SOL HW131533 6.641 0.870 6.314 1.5255 1.1957 -0.0186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31536 9987SOL HW231534 6.604 0.993 6.213 -0.5031 0.8818 0.2833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31537 9988SOL OW31535 6.685 0.165 6.551 -0.0582 -0.3520 -0.1970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31538 9988SOL HW131536 6.629 0.146 6.470 -4.0695 0.8618 1.9782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31539 9988SOL HW231537 6.717 0.079 6.591 0.3426 -1.0621 -1.9511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31540 9989SOL OW31538 6.339 1.485 6.338 -0.4638 -0.7014 0.3123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31541 9989SOL HW131539 6.407 1.441 6.279 -0.0661 -1.3856 1.2602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31542 9989SOL HW231540 6.257 1.506 6.284 -1.1649 -3.6939 0.0479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31543 9990SOL OW31541 5.882 1.293 5.811 -0.5773 0.5643 -0.4835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31544 9990SOL HW131542 5.795 1.270 5.856 -0.9473 0.7922 -1.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31545 9990SOL HW231543 5.892 1.393 5.808 0.0284 0.5306 0.1811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31546 9991SOL OW31544 5.531 0.867 7.204 -0.0456 -0.5163 -0.0620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31547 9991SOL HW131545 5.566 0.788 7.155 0.3020 0.2241 -1.0462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31548 9991SOL HW231546 5.477 0.837 7.283 -0.8220 -1.7496 -1.0329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31549 9992SOL OW31547 6.165 7.250 6.949 0.0318 -0.4414 0.0654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31550 9992SOL HW131548 6.244 7.191 6.934 -0.8676 -1.9481 0.9565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31551 9992SOL HW231549 6.151 7.262 7.047 0.6520 1.9829 -0.0623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31552 9993SOL OW31550 5.712 0.418 5.443 0.0588 -0.0698 0.5145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31553 9993SOL HW131551 5.660 0.363 5.508 0.7125 1.6275 2.5993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31554 9993SOL HW231552 5.660 0.500 5.419 0.2746 -0.1541 -0.2661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31555 9994SOL OW31553 6.774 1.021 7.143 -0.4422 -0.3574 -0.0150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31556 9994SOL HW131554 6.729 0.961 7.076 2.5907 -3.0401 0.1275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31557 9994SOL HW231555 6.855 1.063 7.102 -2.0370 3.2923 0.1427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31558 9995SOL OW31556 5.542 0.275 5.596 -0.2250 -0.2410 -0.0744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31559 9995SOL HW131557 5.466 0.326 5.635 1.9018 2.1245 1.3543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31560 9995SOL HW231558 5.561 0.195 5.652 -2.7692 -2.0233 -1.5711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31561 9996SOL OW31559 6.498 1.103 5.785 -0.3547 -0.7453 -0.4989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31562 9996SOL HW131560 6.428 1.150 5.839 -0.4019 0.6048 -1.6772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31563 9996SOL HW231561 6.494 1.005 5.803 -0.7608 -0.4086 1.4752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31564 9997SOL OW31562 6.078 0.702 6.895 -0.5281 -0.3882 -0.4492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31565 9997SOL HW131563 6.119 0.792 6.879 -0.1203 -0.6530 -0.9049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31566 9997SOL HW231564 6.149 0.638 6.925 -1.1937 0.0025 2.1950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31567 9998SOL OW31565 7.006 1.790 6.722 0.2782 -0.4701 0.4866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31568 9998SOL HW131566 6.919 1.827 6.689 0.1490 -1.3132 -0.1318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31569 9998SOL HW231567 7.004 1.690 6.719 1.2438 -0.5027 0.5172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31570 9999SOL OW31568 5.993 0.637 0.087 -0.3519 -0.2313 0.3530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31571 9999SOL HW131569 5.932 0.684 0.151 0.8483 0.3306 1.1227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31572 9999SOL HW231570 6.088 0.662 0.107 0.0891 -0.3516 -1.4010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31573 10000SOL OW31571 5.863 1.819 7.226 -0.5064 0.3544 0.2384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31574 10000SOL HW131572 5.764 1.833 7.229 -0.6748 -0.6697 -0.2733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31575 10000SOL HW231573 5.897 1.801 7.319 -0.8089 0.6468 0.3978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31576 10001SOL OW31574 7.120 0.923 6.693 0.5220 -0.1392 0.3159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31577 10001SOL HW131575 7.037 0.873 6.668 0.8186 0.0105 -1.0132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31578 10001SOL HW231576 7.101 1.022 6.690 0.9945 -0.0690 -0.9862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31579 10002SOL OW31577 6.625 0.147 5.977 0.2660 -0.0649 1.0439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31580 10002SOL HW131578 6.723 0.151 5.959 0.4676 -3.0347 1.0338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31581 10002SOL HW231579 6.607 0.178 6.070 1.1935 0.4075 1.0812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31582 10003SOL OW31580 6.017 0.648 6.250 0.5553 0.7578 0.3316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31583 10003SOL HW131581 6.115 0.670 6.252 0.4254 1.4548 -0.4959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31584 10003SOL HW231582 6.000 0.577 6.181 0.3877 1.1321 -0.0162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31585 10004SOL OW31583 7.013 1.099 7.017 0.4189 -0.5315 0.0310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31586 10004SOL HW131584 7.028 1.190 7.055 -0.3851 -1.0625 1.6796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31587 10004SOL HW231585 7.101 1.056 6.996 0.7959 1.0995 -2.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31588 10005SOL OW31586 6.291 1.286 5.847 -0.6380 0.6097 0.1036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31589 10005SOL HW131587 6.272 1.253 5.939 -0.7562 -0.6755 -0.3599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31590 10005SOL HW231588 6.234 1.366 5.828 -0.8015 0.7262 1.0509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31591 10006SOL OW31589 6.018 1.695 6.695 -0.5335 0.3051 -0.0076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31592 10006SOL HW131590 6.033 1.732 6.786 -1.8131 2.1711 -0.4980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31593 10006SOL HW231591 6.103 1.652 6.662 0.6200 1.5792 1.1805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31594 10007SOL OW31592 6.434 0.563 6.487 -0.1084 0.3689 0.3940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31595 10007SOL HW131593 6.403 0.469 6.470 0.7344 0.0939 0.3260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31596 10007SOL HW231594 6.394 0.596 6.573 0.4754 -0.4687 1.0089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31597 10008SOL OW31595 6.617 0.896 5.521 0.8396 -0.1512 -0.3358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31598 10008SOL HW131596 6.559 0.966 5.480 -0.5212 -0.3567 1.1450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31599 10008SOL HW231597 6.619 0.816 5.461 -0.8740 -0.3438 -0.1987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31600 10009SOL OW31598 7.204 1.500 6.341 0.3462 -0.3349 0.2011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31601 10009SOL HW131599 7.119 1.510 6.289 -0.5491 0.8409 1.8184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31602 10009SOL HW231600 7.190 1.436 6.417 0.3583 1.1814 1.5199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31603 10010SOL OW31601 6.077 1.202 6.231 0.0195 -0.0877 -0.0299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31604 10010SOL HW131602 6.028 1.146 6.299 0.9215 0.4626 1.1058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31605 10010SOL HW231603 6.036 1.188 6.141 -0.7336 -1.4178 0.4879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31606 10011SOL OW31604 5.997 1.399 0.120 0.1018 0.2490 0.6090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31607 10011SOL HW131605 5.904 1.402 0.155 0.3193 0.0141 1.2363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31608 10011SOL HW231606 6.017 1.483 0.069 -1.0727 -0.5334 -1.2130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31609 10012SOL OW31607 7.081 0.205 6.715 -0.3353 0.2649 0.2158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31610 10012SOL HW131608 7.124 0.255 6.790 -0.8511 1.5075 -0.3059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31611 10012SOL HW231609 6.992 0.170 6.745 -0.7638 1.1901 0.0297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31612 10013SOL OW31610 5.789 0.292 6.082 0.0959 0.0253 0.4854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31613 10013SOL HW131611 5.770 0.219 6.016 0.3424 1.7005 -1.5412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31614 10013SOL HW231612 5.710 0.303 6.142 -0.6781 -0.7046 -0.3623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31615 10014SOL OW31613 5.903 0.328 6.745 -0.3656 -0.0494 0.0838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31616 10014SOL HW131614 5.956 0.243 6.741 -1.5282 -0.7657 -0.6734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31617 10014SOL HW231615 5.823 0.320 6.686 -1.8878 0.6031 1.9740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31618 10015SOL OW31616 6.218 1.639 6.516 -0.5645 0.1203 -0.0573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31619 10015SOL HW131617 6.152 1.692 6.463 -1.3348 0.8565 1.5554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31620 10015SOL HW231618 6.299 1.620 6.460 -0.9717 1.5735 -1.2039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31621 10016SOL OW31619 6.846 0.608 6.868 -0.3477 -0.3618 0.3976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31622 10016SOL HW131620 6.761 0.561 6.844 0.5286 -3.1106 2.1989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31623 10016SOL HW231621 6.856 0.610 6.968 1.3708 0.5590 0.2428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31624 10017SOL OW31622 6.762 7.167 6.583 -0.0619 0.2058 -0.3720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31625 10017SOL HW131623 6.727 7.074 6.565 0.6974 0.0635 -1.1607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31626 10017SOL HW231624 6.803 7.204 6.500 1.5646 0.4136 0.4891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31627 10018SOL OW31625 6.318 1.179 6.119 0.4722 0.2580 -0.5859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31628 10018SOL HW131626 6.334 1.081 6.114 0.2269 0.2605 -1.8406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31629 10018SOL HW231627 6.231 1.196 6.166 0.5299 -0.1257 -0.3394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31630 10019SOL OW31628 5.891 1.492 6.814 0.6769 -0.3591 0.1096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31631 10019SOL HW131629 5.938 1.557 6.754 0.0572 0.7709 0.8125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31632 10019SOL HW231630 5.957 1.452 6.878 0.6909 1.4666 1.3100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31633 10020SOL OW31631 6.949 0.019 5.582 0.5431 -0.0500 0.7341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31634 10020SOL HW131632 6.889 -0.059 5.598 -0.5534 0.5052 -0.4837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31635 10020SOL HW231633 6.900 0.104 5.606 1.1535 0.3620 0.5306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31636 10021SOL OW31634 6.687 0.298 6.238 0.3509 0.2543 -0.0325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31637 10021SOL HW131635 6.664 0.395 6.244 -1.5906 -0.0870 -1.1245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31638 10021SOL HW231636 6.786 0.287 6.245 0.6238 2.3123 -0.0015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31639 10022SOL OW31637 7.007 0.427 6.576 0.5043 0.4031 0.3531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31640 10022SOL HW131638 7.042 0.352 6.632 1.3398 1.8972 1.9410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31641 10022SOL HW231639 6.907 0.425 6.575 0.5192 -1.0517 -0.1304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31642 10023SOL OW31640 5.714 0.964 5.891 -0.5529 -0.1356 0.4790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31643 10023SOL HW131641 5.807 0.933 5.872 0.7299 3.5726 -0.0145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31644 10023SOL HW231642 5.665 0.977 5.805 1.3455 5.4677 -0.1348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31645 10024SOL OW31643 6.365 1.590 5.980 0.0171 -0.5622 -0.1010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31646 10024SOL HW131644 6.304 1.563 5.906 1.2769 -1.4980 -0.8325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31647 10024SOL HW231645 6.329 1.672 6.025 -0.5024 0.3371 -2.0718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31648 10025SOL OW31646 5.720 2.196 0.081 0.2150 0.5498 0.1252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31649 10025SOL HW131647 5.772 2.259 0.139 1.3363 1.5915 -1.8946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31650 10025SOL HW231648 5.783 2.146 0.022 -0.9432 0.5317 -1.1419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31651 10026SOL OW31649 5.654 2.168 1.078 -0.1995 0.1435 -0.0578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31652 10026SOL HW131650 5.707 2.137 1.157 0.6906 0.4504 -0.5253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31653 10026SOL HW231651 5.583 2.101 1.057 0.1321 -0.3758 0.4546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31654 10027SOL OW31652 5.264 2.184 0.666 -0.2718 0.6082 0.5157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31655 10027SOL HW131653 5.189 2.164 0.729 -2.5474 0.1452 -2.1246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31656 10027SOL HW231654 5.228 2.230 0.585 1.9676 -1.2844 -1.7277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31657 10028SOL OW31655 5.981 3.144 1.233 -0.2534 0.2861 0.1448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31658 10028SOL HW131656 6.008 3.100 1.147 -0.4041 0.5989 -0.0649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31659 10028SOL HW231657 5.998 3.243 1.226 -0.2149 0.3031 0.4935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31660 10029SOL OW31658 7.036 3.461 0.664 -0.0439 0.4487 0.0457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31661 10029SOL HW131659 6.957 3.413 0.701 -1.1056 2.6126 0.7002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31662 10029SOL HW231660 7.023 3.477 0.566 -0.5102 0.9461 0.1850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31663 10030SOL OW31661 6.654 2.486 0.517 0.2163 0.0398 -0.1244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31664 10030SOL HW131662 6.697 2.574 0.533 -0.5526 0.3485 0.2935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31665 10030SOL HW231663 6.619 2.449 0.604 0.0479 -0.4195 -0.3819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31666 10031SOL OW31664 7.096 2.271 0.220 -0.2513 -0.6360 -0.7333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31667 10031SOL HW131665 7.010 2.315 0.246 -0.8189 -2.5960 1.0014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31668 10031SOL HW231666 7.080 2.174 0.206 1.2873 -0.6631 -2.7061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31669 10032SOL OW31667 6.324 2.970 1.055 0.1737 -0.1520 -0.7469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31670 10032SOL HW131668 6.311 2.975 1.154 0.6176 -0.7232 -0.6521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31671 10032SOL HW231669 6.301 3.058 1.014 0.1962 0.1600 -0.1074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31672 10033SOL OW31670 6.286 2.519 2.071 -0.1407 0.4553 0.1666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31673 10033SOL HW131671 6.250 2.555 2.157 -1.1682 2.1341 -0.9048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31674 10033SOL HW231672 6.328 2.594 2.019 1.4015 -0.7213 -0.3690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31675 10034SOL OW31673 6.221 2.718 0.784 -0.0607 -0.2363 0.3857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31676 10034SOL HW131674 6.307 2.758 0.814 0.1814 -1.5432 1.5405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31677 10034SOL HW231675 6.158 2.790 0.756 0.4899 0.9381 2.0309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31678 10035SOL OW31676 6.213 2.962 1.868 -0.3208 0.2060 0.1179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31679 10035SOL HW131677 6.277 3.026 1.911 -1.4325 1.0513 0.5870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31680 10035SOL HW231678 6.161 3.010 1.797 -1.2596 -0.1227 0.5655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31681 10036SOL OW31679 5.710 3.205 0.987 -0.0962 0.7352 -0.0733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31682 10036SOL HW131680 5.694 3.191 1.084 -0.2735 -0.5261 -0.2670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31683 10036SOL HW231681 5.804 3.236 0.972 0.8350 -1.7374 0.3100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31684 10037SOL OW31682 0.030 3.084 1.600 -0.1347 0.8541 0.1208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31685 10037SOL HW131683 0.040 3.028 1.518 -0.1945 0.9013 0.0809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31686 10037SOL HW231684 0.034 3.181 1.575 0.3502 0.8663 0.2407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31687 10038SOL OW31685 6.110 2.302 1.558 -0.5427 -0.3907 -0.2925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31688 10038SOL HW131686 6.161 2.220 1.584 -2.2930 -0.7902 2.1689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31689 10038SOL HW231687 6.173 2.380 1.553 0.5744 -1.1677 1.0292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31690 10039SOL OW31688 5.821 3.456 0.415 0.1111 0.1953 0.1639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31691 10039SOL HW131689 5.830 3.545 0.459 0.7266 0.2108 0.0098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31692 10039SOL HW231690 5.902 3.437 0.359 -1.1994 0.7695 -2.0536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31693 10040SOL OW31691 6.674 3.125 1.696 -0.9148 -0.6625 -0.4110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31694 10040SOL HW131692 6.708 3.075 1.617 1.3448 0.1817 -0.0606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31695 10040SOL HW231693 6.674 3.066 1.777 0.5574 -0.4798 -0.2570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31696 10041SOL OW31694 5.732 3.298 0.617 0.8871 -0.2094 0.6107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31697 10041SOL HW131695 5.748 3.351 0.534 0.9022 0.5980 1.1239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31698 10041SOL HW231696 5.754 3.353 0.697 -1.1358 -0.2414 1.2382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31699 10042SOL OW31697 6.020 2.929 1.045 -0.4683 -0.6394 -0.3399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31700 10042SOL HW131698 6.112 2.916 1.080 -0.3456 1.3016 0.1629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31701 10042SOL HW231699 5.967 2.845 1.058 1.1646 -1.7303 -0.5149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31702 10043SOL OW31700 6.083 3.555 1.495 0.4535 -0.3042 0.6448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31703 10043SOL HW131701 6.014 3.514 1.554 0.9349 -0.9731 0.7509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31704 10043SOL HW231702 6.127 3.631 1.543 0.0224 -0.0834 0.6967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31705 10044SOL OW31703 6.049 2.606 0.238 -0.1633 -0.2171 0.6479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31706 10044SOL HW131704 5.978 2.550 0.195 -0.5741 -0.2308 1.3199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31707 10044SOL HW231705 6.139 2.568 0.216 -0.2105 0.9274 -1.8337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31708 10045SOL OW31706 7.118 1.846 1.543 0.0674 -0.6638 0.3908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31709 10045SOL HW131707 7.141 1.914 1.474 1.0337 -0.4259 0.9323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31710 10045SOL HW231708 7.032 1.801 1.518 -0.4940 0.6186 -0.0698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31711 10046SOL OW31709 5.575 2.316 0.584 0.0989 -0.1779 0.0132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31712 10046SOL HW131710 5.527 2.248 0.641 1.1721 0.3847 1.6785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31713 10046SOL HW231711 5.521 2.399 0.578 -0.7089 -0.7560 -1.0994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31714 10047SOL OW31712 5.748 3.263 0.094 -0.1705 -0.4359 0.8586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31715 10047SOL HW131713 5.745 3.166 0.117 -2.0328 -0.2827 1.4341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31716 10047SOL HW231714 5.680 3.312 0.149 -0.5616 0.8876 -0.7384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31717 10048SOL OW31715 7.101 2.552 0.512 -0.1870 -0.0508 0.1181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31718 10048SOL HW131716 7.165 2.593 0.577 -0.0294 0.7715 -0.5471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31719 10048SOL HW231717 7.146 2.544 0.423 -1.3814 1.6450 -0.6799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31720 10049SOL OW31718 5.655 2.627 1.778 0.1355 0.1935 -0.2261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31721 10049SOL HW131719 5.662 2.727 1.783 -1.5395 0.4209 -1.4056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31722 10049SOL HW231720 5.616 2.601 1.689 -0.0404 -1.4693 0.3084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31723 10050SOL OW31721 6.091 3.216 0.715 0.2958 -0.4127 -0.4500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31724 10050SOL HW131722 6.077 3.118 0.700 0.5601 -0.3501 -1.1605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31725 10050SOL HW231723 6.141 3.254 0.637 1.7752 -0.0684 0.6176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31726 10051SOL OW31724 6.750 3.038 1.441 0.1473 0.1602 -0.4800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31727 10051SOL HW131725 6.750 2.981 1.359 0.1926 -1.7756 0.7964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31728 10051SOL HW231726 6.843 3.067 1.462 0.0431 1.2611 -1.4870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31729 10052SOL OW31727 6.386 1.920 0.526 0.4770 0.2571 -0.2981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31730 10052SOL HW131728 6.440 1.930 0.443 -0.3697 0.8782 -0.7909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31731 10052SOL HW231729 6.359 2.011 0.559 -0.2417 -0.0400 -0.0473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31732 10053SOL OW31730 5.835 2.730 1.281 0.4815 -0.0050 0.2241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31733 10053SOL HW131731 5.843 2.633 1.302 -0.1571 -0.0207 0.4049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31734 10053SOL HW231732 5.810 2.742 1.185 -1.0606 -0.0839 0.5921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31735 10054SOL OW31733 0.016 2.846 0.109 0.1712 0.1895 -0.2272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31736 10054SOL HW131734 0.068 2.827 0.025 0.1786 0.4752 -0.2874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31737 10054SOL HW231735 0.056 2.924 0.157 0.8186 -0.6326 0.6000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31738 10055SOL OW31736 6.636 3.562 1.858 0.1242 0.5684 -0.6528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31739 10055SOL HW131737 6.655 3.584 1.762 0.3691 -1.0808 -1.0108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31740 10055SOL HW231738 6.688 3.481 1.884 -3.1800 -1.6699 -0.4274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31741 10056SOL OW31739 5.897 2.229 1.840 -0.7224 -0.2181 0.2068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31742 10056SOL HW131740 5.913 2.326 1.856 2.0503 -0.6482 0.4118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31743 10056SOL HW231741 5.833 2.218 1.763 -0.3555 1.7468 -0.4205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31744 10057SOL OW31742 6.856 3.285 0.771 0.1248 0.1376 -0.9487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31745 10057SOL HW131743 6.877 3.250 0.862 1.2274 -1.5774 -1.8052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31746 10057SOL HW231744 6.857 3.210 0.705 -0.2697 1.3913 -2.4533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31747 10058SOL OW31745 7.230 3.673 0.670 0.4092 0.6709 1.1416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31748 10058SOL HW131746 7.247 3.694 0.574 -2.0306 1.4145 0.8253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31749 10058SOL HW231747 7.175 3.590 0.677 -0.2879 1.1793 1.8428
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31750 10059SOL OW31748 5.987 2.388 0.464 0.4215 -0.2516 -1.1514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31751 10059SOL HW131749 5.937 2.331 0.529 0.0655 -0.0337 -1.2369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31752 10059SOL HW231750 6.008 2.476 0.506 1.0015 -0.4487 -1.0083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31753 10060SOL OW31751 6.781 2.210 0.866 0.7457 -0.1163 0.0018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31754 10060SOL HW131752 6.794 2.112 0.852 -0.6566 -0.0484 -2.0959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31755 10060SOL HW231753 6.831 2.238 0.948 2.2395 -2.3221 -0.0605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31756 10061SOL OW31754 0.036 3.738 0.436 0.7647 -0.1672 -0.1006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31757 10061SOL HW131755 0.130 3.772 0.436 0.1872 1.5808 0.7134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31758 10061SOL HW231756 -0.020 3.796 0.376 0.4298 -1.9741 -1.6132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31759 10062SOL OW31757 6.262 2.437 1.334 -0.1700 -0.2445 0.5363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31760 10062SOL HW131758 6.346 2.410 1.380 1.0990 -0.0717 -1.5391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31761 10062SOL HW231759 6.262 2.402 1.240 -1.3863 1.5708 -0.2125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31762 10063SOL OW31760 6.897 2.310 1.662 0.6389 0.1867 0.3060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31763 10063SOL HW131761 6.914 2.349 1.753 -0.0783 -0.2724 0.6446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31764 10063SOL HW231762 6.932 2.216 1.660 -1.1084 -0.5108 0.7746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31765 10064SOL OW31763 6.566 2.710 1.675 -0.3358 0.2107 0.2513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31766 10064SOL HW131764 6.614 2.726 1.761 0.0433 1.5528 -0.1751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31767 10064SOL HW231765 6.616 2.642 1.621 0.1776 0.3661 0.5194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31768 10065SOL OW31766 6.523 2.369 1.195 -0.7214 0.0568 0.2697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31769 10065SOL HW131767 6.448 2.320 1.151 -0.5326 1.3927 -1.6815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31770 10065SOL HW231768 6.539 2.455 1.147 1.3585 0.3127 1.3153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31771 10066SOL OW31769 6.429 2.455 0.353 -0.1842 0.0342 0.5536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31772 10066SOL HW131770 6.515 2.475 0.400 1.2017 -2.4344 -0.7128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31773 10066SOL HW231771 6.368 2.405 0.415 -1.1010 2.4482 1.6999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31774 10067SOL OW31772 5.632 2.700 0.767 -0.0152 -0.2973 0.2511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31775 10067SOL HW131773 5.729 2.681 0.784 0.9306 0.1110 -3.7102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31776 10067SOL HW231774 5.619 2.799 0.760 -0.1032 -0.4119 -1.7509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31777 10068SOL OW31775 5.416 3.743 1.560 0.1897 0.0368 0.8056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31778 10068SOL HW131776 5.384 3.716 1.651 0.5335 -2.8294 0.1961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31779 10068SOL HW231777 5.341 3.735 1.494 0.3766 0.3662 0.5471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31780 10069SOL OW31778 6.558 1.857 0.040 0.2141 0.0826 -0.0682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31781 10069SOL HW131779 6.642 1.825 -0.005 -0.6161 0.6687 -2.1446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31782 10069SOL HW231780 6.484 1.793 0.019 -0.4104 0.8930 -0.3474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31783 10070SOL OW31781 0.177 2.411 1.862 0.5564 0.2661 0.8686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31784 10070SOL HW131782 0.119 2.492 1.859 -0.6281 -0.5641 0.9044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31785 10070SOL HW231783 0.133 2.336 1.813 0.1313 -1.2991 3.4733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31786 10071SOL OW31784 7.030 2.947 0.256 -0.0596 -0.5871 0.3958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31787 10071SOL HW131785 7.044 2.883 0.181 0.2810 0.6113 -0.5920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31788 10071SOL HW231786 6.934 2.947 0.283 -0.2330 -0.8365 -0.2149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31789 10072SOL OW31787 6.021 2.015 0.963 -0.2298 0.1720 -0.1068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31790 10072SOL HW131788 6.037 2.043 1.057 -0.3527 1.5467 -0.4843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31791 10072SOL HW231789 6.047 2.089 0.900 -1.3710 -0.2230 -1.0874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31792 10073SOL OW31790 6.397 3.071 0.455 -0.7401 -0.0485 -0.4557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31793 10073SOL HW131791 6.357 3.157 0.487 0.2245 1.0370 -2.0273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31794 10073SOL HW231792 6.450 3.030 0.528 -0.6786 1.0385 0.1248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31795 10074SOL OW31793 5.891 3.579 0.827 0.2878 -0.5489 -0.7070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31796 10074SOL HW131794 5.909 3.487 0.861 0.2686 0.2378 1.5852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31797 10074SOL HW231795 5.967 3.639 0.851 -0.3126 0.3237 -0.9586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31798 10075SOL OW31796 7.057 2.906 0.896 0.6335 0.0401 -0.2098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31799 10075SOL HW131797 7.015 2.948 0.815 1.2845 -0.2765 -0.7254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31800 10075SOL HW231798 7.045 2.966 0.975 0.9876 0.8952 -0.7885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31801 10076SOL OW31799 6.815 3.402 1.572 1.0692 0.2689 0.1082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31802 10076SOL HW131800 6.767 3.314 1.570 1.1693 0.1598 1.4624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31803 10076SOL HW231801 6.902 3.393 1.524 -0.0811 0.3897 -2.1284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31804 10077SOL OW31802 5.810 2.711 0.338 -0.4784 0.4588 -0.6871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31805 10077SOL HW131803 5.907 2.699 0.316 -0.0423 2.3609 -0.0158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31806 10077SOL HW231804 5.775 2.627 0.380 1.2460 0.1865 0.3013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31807 10078SOL OW31805 6.871 2.653 0.592 0.0383 0.0021 -0.0653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31808 10078SOL HW131806 6.883 2.656 0.691 -2.2619 1.8099 0.2327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31809 10078SOL HW231807 6.957 2.625 0.549 1.8052 1.4611 2.2871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31810 10079SOL OW31808 6.113 3.143 1.653 0.1137 0.1401 0.5672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31811 10079SOL HW131809 6.042 3.132 1.583 0.5282 0.2406 0.1290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31812 10079SOL HW231810 6.070 3.172 1.738 -0.4438 -0.3638 0.4690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31813 10080SOL OW31811 6.645 3.394 0.218 -0.1774 -0.0371 -0.4681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31814 10080SOL HW131812 6.549 3.388 0.192 -0.2902 1.8178 -0.6126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31815 10080SOL HW231813 6.703 3.368 0.140 -0.5052 -2.4620 0.0088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31816 10081SOL OW31814 5.647 2.233 1.512 0.4976 -0.3298 -0.2160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31817 10081SOL HW131815 5.710 2.308 1.534 -1.2311 1.5258 -1.2044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31818 10081SOL HW231816 5.604 2.199 1.596 1.1905 -0.1155 0.2331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31819 10082SOL OW31817 6.078 3.457 0.295 0.1486 -0.2832 -0.3988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31820 10082SOL HW131818 6.113 3.547 0.323 0.7802 -0.5939 -0.1795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31821 10082SOL HW231819 6.122 3.429 0.209 0.3102 -0.5953 -0.2154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31822 10083SOL OW31820 6.844 1.907 0.375 -0.3184 -0.8575 0.0427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31823 10083SOL HW131821 6.880 1.821 0.340 -0.0403 0.2648 -2.6532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31824 10083SOL HW231822 6.919 1.962 0.413 -0.1251 -0.8567 -0.3415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31825 10084SOL OW31823 5.660 3.668 1.124 0.2147 -0.3568 -0.3191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31826 10084SOL HW131824 5.701 3.582 1.153 -0.7855 -1.1866 -1.2514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31827 10084SOL HW231825 5.669 3.677 1.025 -0.3199 0.2639 -0.3140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31828 10085SOL OW31826 6.490 3.520 0.916 -0.0477 0.5040 -0.1780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31829 10085SOL HW131827 6.532 3.477 0.836 0.0593 -0.2431 0.2674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31830 10085SOL HW231828 6.491 3.455 0.992 2.3113 2.0562 1.2288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31831 10086SOL OW31829 5.873 2.357 0.227 1.0567 -0.3738 -0.0404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31832 10086SOL HW131830 5.919 2.343 0.315 -0.8023 1.1050 1.2360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31833 10086SOL HW231831 5.819 2.441 0.230 1.1390 -0.1098 -2.7303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31834 10087SOL OW31832 6.977 2.047 1.700 -0.3107 0.1114 -0.5350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31835 10087SOL HW131833 6.976 2.050 1.800 -0.1617 0.6095 -0.5450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31836 10087SOL HW231834 7.038 1.974 1.670 2.0818 1.8426 -0.2572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31837 10088SOL OW31835 6.143 1.852 0.039 0.5704 0.1744 -0.0699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31838 10088SOL HW131836 6.227 1.803 0.016 0.4061 -0.6936 1.0627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31839 10088SOL HW231837 6.067 1.788 0.044 0.4197 0.4160 1.8310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31840 10089SOL OW31838 6.245 2.080 1.630 -0.4010 0.3051 -0.4309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31841 10089SOL HW131839 6.326 2.106 1.683 -0.5956 -0.0482 0.0495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31842 10089SOL HW231840 6.184 2.024 1.687 0.3164 -1.7804 -1.6246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31843 10090SOL OW31841 6.415 3.381 1.152 -0.6347 -0.2770 0.1643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31844 10090SOL HW131842 6.359 3.307 1.112 -0.5696 0.0264 -0.5054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31845 10090SOL HW231843 6.458 3.348 1.236 -1.2397 -0.7486 0.3034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31846 10091SOL OW31844 6.997 2.343 1.369 0.0466 0.1213 -0.7526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31847 10091SOL HW131845 6.991 2.352 1.468 -0.3694 -1.3525 -0.6158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31848 10091SOL HW231846 7.034 2.427 1.329 1.0212 0.4218 0.7269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31849 10092SOL OW31847 6.265 3.232 0.961 0.0241 0.1599 -0.4038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31850 10092SOL HW131848 6.357 3.208 0.932 0.1549 -0.4430 0.4722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31851 10092SOL HW231849 6.205 3.238 0.881 1.2279 2.5738 -1.2277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31852 10093SOL OW31850 6.567 2.390 0.787 0.8055 0.4459 0.2987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31853 10093SOL HW131851 6.519 2.310 0.752 0.7888 0.3807 0.4696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31854 10093SOL HW231852 6.654 2.361 0.827 1.7848 0.7473 -1.5164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31855 10094SOL OW31853 6.052 2.009 0.562 0.4563 -0.0865 -0.5197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31856 10094SOL HW131854 5.967 2.059 0.578 0.7026 0.3401 -0.5134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31857 10094SOL HW231855 6.077 2.018 0.466 -0.3108 -1.5077 -0.8740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31858 10095SOL OW31856 6.797 2.915 7.166 -0.4932 -0.1289 0.5274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31859 10095SOL HW131857 6.874 2.855 7.188 -0.5536 -0.0583 0.9373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31860 10095SOL HW231858 6.725 2.903 7.234 -0.4407 0.5152 0.7070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31861 10096SOL OW31859 5.483 1.629 0.389 -0.0977 -0.1305 -0.2731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31862 10096SOL HW131860 5.450 1.658 0.299 1.0421 -1.8260 -1.2834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31863 10096SOL HW231861 5.453 1.695 0.457 -1.3211 1.0097 -1.8207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31864 10097SOL OW31862 6.481 2.049 0.234 0.1714 0.2290 0.3085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31865 10097SOL HW131863 6.484 1.980 0.161 -3.0255 -0.4056 0.6261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31866 10097SOL HW231864 6.575 2.072 0.262 1.4141 -2.7110 -0.9728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31867 10098SOL OW31865 6.721 2.507 1.546 0.6249 0.0971 0.2913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31868 10098SOL HW131866 6.763 2.426 1.589 -0.5817 0.7940 3.0140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31869 10098SOL HW231867 6.781 2.541 1.474 2.1820 -1.9732 0.5029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31870 10099SOL OW31868 6.610 3.373 0.737 -0.1745 0.6182 0.0800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31871 10099SOL HW131869 6.604 3.371 0.637 -0.9740 0.5023 0.1286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31872 10099SOL HW231870 6.706 3.360 0.765 0.1962 1.6015 -0.6907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31873 10100SOL OW31871 6.038 2.935 0.724 0.4356 -0.1114 0.4214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31874 10100SOL HW131872 6.009 2.929 0.820 -1.6288 -0.1021 -0.1520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31875 10100SOL HW231873 5.959 2.922 0.665 1.9083 -1.5297 -1.3402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31876 10101SOL OW31874 6.750 3.745 0.541 -0.3363 0.3121 -0.1811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31877 10101SOL HW131875 6.830 3.736 0.481 0.2036 -0.6159 0.6354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31878 10101SOL HW231876 6.768 3.695 0.627 -2.0965 -0.5784 -0.2910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31879 10102SOL OW31877 6.246 2.161 0.271 0.4827 0.1919 0.0147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31880 10102SOL HW131878 6.235 2.241 0.213 1.3110 -0.7443 -1.5150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31881 10102SOL HW231879 6.338 2.123 0.259 0.0853 -1.0379 0.6227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31882 10103SOL OW31880 5.538 2.588 1.533 0.1391 -0.1364 0.2368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31883 10103SOL HW131881 5.567 2.522 1.464 0.2959 -0.5153 0.6607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31884 10103SOL HW231882 5.513 2.673 1.488 0.0330 -0.4473 -0.3091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31885 10104SOL OW31883 6.098 2.095 1.211 0.2727 -0.4473 0.2427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31886 10104SOL HW131884 6.181 2.115 1.263 0.1077 1.1133 -0.0242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31887 10104SOL HW231885 6.018 2.119 1.266 0.0302 -0.9282 0.1028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31888 10105SOL OW31886 6.411 2.181 0.689 -0.0681 0.5992 -0.1596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31889 10105SOL HW131887 6.357 2.236 0.625 0.0563 1.1079 0.1698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31890 10105SOL HW231888 6.352 2.145 0.761 -0.1202 0.4211 -0.2886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31891 10106SOL OW31889 6.502 1.746 0.715 0.1563 0.0809 0.2797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31892 10106SOL HW131890 6.452 1.801 0.649 1.2328 0.2922 -0.3962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31893 10106SOL HW231891 6.458 1.751 0.804 -0.6195 0.7967 -0.1362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31894 10107SOL OW31892 6.945 3.050 0.650 0.3739 0.1481 -0.1081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31895 10107SOL HW131893 6.893 2.977 0.605 0.7664 -0.2020 -0.0025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31896 10107SOL HW231894 7.040 3.047 0.617 0.5352 0.2233 0.3534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31897 10108SOL OW31895 6.968 2.658 0.842 0.6131 0.0196 1.0774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31898 10108SOL HW131896 6.971 2.601 0.924 3.0401 -1.3997 0.1307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31899 10108SOL HW231897 7.014 2.745 0.860 3.8774 -1.4443 0.5786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31900 10109SOL OW31898 0.101 2.525 0.417 -0.1470 -0.2032 -0.2726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31901 10109SOL HW131899 0.131 2.456 0.482 -1.8144 -0.4289 0.3136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31902 10109SOL HW231900 0.082 2.483 0.329 3.6658 0.3368 -1.5326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31903 10110SOL OW31901 6.006 3.079 0.397 -0.4415 0.0651 0.9324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31904 10110SOL HW131902 5.943 3.054 0.470 -1.0800 1.2390 0.8135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31905 10110SOL HW231903 5.987 3.023 0.316 1.1098 -2.1352 2.0185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31906 10111SOL OW31904 6.613 2.135 7.216 -0.8861 0.4770 -0.2785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31907 10111SOL HW131905 6.629 2.195 7.294 -2.0376 0.5329 -0.0734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31908 10111SOL HW231906 6.619 2.040 7.245 1.2864 0.4424 -0.6862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31909 10112SOL OW31907 6.072 1.978 0.291 0.1571 0.0309 0.1068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31910 10112SOL HW131908 6.107 1.896 0.245 -1.2808 0.1832 -1.3362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31911 10112SOL HW231909 6.135 2.054 0.276 -0.2129 0.0481 -1.5516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31912 10113SOL OW31910 6.570 3.225 1.370 -0.3477 -0.1864 0.2083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31913 10113SOL HW131911 6.487 3.224 1.426 -2.6272 -3.4737 -2.7847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31914 10113SOL HW231912 6.632 3.153 1.401 1.0478 1.5720 1.7595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31915 10114SOL OW31913 7.238 3.645 1.557 0.1417 0.0359 -0.0216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31916 10114SOL HW131914 7.220 3.669 1.461 1.1061 1.7332 0.1797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31917 10114SOL HW231915 7.151 3.625 1.603 -0.3664 -0.4117 -1.1378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31918 10115SOL OW31916 6.588 3.103 1.136 -0.1020 0.2378 0.5077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31919 10115SOL HW131917 6.588 3.172 1.208 -2.8911 -0.8192 1.6694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31920 10115SOL HW231918 6.557 3.143 1.050 1.3295 1.0584 0.3398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31921 10116SOL OW31919 7.088 3.168 1.265 0.4891 0.0909 0.0643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31922 10116SOL HW131920 7.137 3.089 1.302 0.6692 -0.2154 -0.8043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31923 10116SOL HW231921 7.146 3.249 1.271 0.2243 0.2231 1.1579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31924 10117SOL OW31922 6.696 1.968 1.396 0.7668 -0.5088 -0.0433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31925 10117SOL HW131923 6.701 2.064 1.370 2.9661 -0.2391 1.1842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31926 10117SOL HW231924 6.683 1.961 1.495 -1.1157 -1.5266 -0.3039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31927 10118SOL OW31925 6.351 2.721 1.853 0.3920 0.0549 -0.6529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31928 10118SOL HW131926 6.294 2.798 1.825 -1.0041 -0.8970 -0.5054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31929 10118SOL HW231927 6.406 2.690 1.776 -0.5876 -0.1192 -1.2902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31930 10119SOL OW31928 6.158 2.811 0.093 0.1765 -0.4939 -0.3521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31931 10119SOL HW131929 6.081 2.861 0.134 0.2529 -0.4946 -0.2084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31932 10119SOL HW231930 6.169 2.724 0.139 -0.3333 -0.9060 -0.9885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31933 10120SOL OW31931 5.938 2.442 1.276 -0.5203 -0.9875 0.5200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31934 10120SOL HW131932 5.996 2.379 1.329 0.7717 1.1639 1.8383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31935 10120SOL HW231933 5.844 2.410 1.278 0.2401 -3.4308 0.2011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31936 10121SOL OW31934 6.740 2.226 1.312 -0.1808 -0.2920 0.8885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31937 10121SOL HW131935 6.804 2.301 1.321 0.4230 -0.8295 1.1118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31938 10121SOL HW231936 6.648 2.262 1.295 0.2207 0.4716 0.3026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31939 10122SOL OW31937 5.585 3.543 1.471 -0.4553 -0.2023 -0.0591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31940 10122SOL HW131938 5.544 3.625 1.510 -0.5013 -0.8747 1.3797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31941 10122SOL HW231939 5.604 3.558 1.375 -1.3035 1.1726 -0.0429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31942 10123SOL OW31940 5.839 2.897 0.545 0.5009 -0.0441 -0.2489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31943 10123SOL HW131941 5.756 2.913 0.491 -1.5825 0.3444 2.8049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31944 10123SOL HW231942 5.852 2.799 0.557 -0.1195 -0.0932 0.0754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31945 10124SOL OW31943 6.098 2.192 0.795 0.0177 -0.2115 0.2198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31946 10124SOL HW131944 6.140 2.283 0.793 2.1764 -1.1389 0.4010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31947 10124SOL HW231945 6.106 2.150 0.704 -1.0946 -0.1968 0.1012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31948 10125SOL OW31946 6.734 3.010 0.297 0.2705 0.2395 -0.4691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31949 10125SOL HW131947 6.688 3.008 0.208 0.9533 0.4429 -0.8336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31950 10125SOL HW231948 6.700 3.087 0.350 0.0583 0.2797 -0.6594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31951 10126SOL OW31949 6.940 3.126 1.061 0.2556 0.2789 0.3251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31952 10126SOL HW131950 7.005 3.149 1.133 -1.6457 2.0426 1.6045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31953 10126SOL HW231951 6.877 3.056 1.094 0.4108 -0.1443 -0.2624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31954 10127SOL OW31952 7.093 2.285 0.605 -0.5074 0.0236 -0.2609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31955 10127SOL HW131953 6.995 2.272 0.591 -0.2244 0.4135 -3.2479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31956 10127SOL HW231954 7.117 2.378 0.578 0.6373 0.1389 1.0539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31957 10128SOL OW31955 5.747 3.427 1.216 0.5132 -0.4802 -0.4477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31958 10128SOL HW131956 5.709 3.336 1.229 2.3029 -1.5341 -2.1233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31959 10128SOL HW231957 5.846 3.424 1.228 0.4263 1.7050 1.5276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31960 10129SOL OW31958 6.018 2.732 1.608 -0.3861 0.2078 0.3487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31961 10129SOL HW131959 6.107 2.689 1.598 -0.4300 0.5478 -2.0884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31962 10129SOL HW231960 6.010 2.809 1.544 -1.9092 1.1148 1.5321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31963 10130SOL OW31961 7.238 2.586 1.786 -0.3191 -0.0379 -0.2421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31964 10130SOL HW131962 7.150 2.631 1.802 0.5711 1.7211 -0.1092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31965 10130SOL HW231963 7.278 2.619 1.700 0.5938 -0.1976 0.1157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31966 10131SOL OW31964 6.587 1.821 1.826 0.3196 -0.0659 0.5149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31967 10131SOL HW131965 6.620 1.890 1.761 1.7618 -0.3204 0.9425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31968 10131SOL HW231966 6.659 1.754 1.842 -0.4260 -0.6464 1.5134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31969 10132SOL OW31967 6.006 2.003 1.737 0.0242 0.3491 -0.0848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31970 10132SOL HW131968 5.930 1.940 1.718 -0.9619 1.0772 1.2727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31971 10132SOL HW231969 5.969 2.089 1.773 1.4151 1.3164 -0.8848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31972 10133SOL OW31970 6.070 2.542 1.057 -0.4988 -0.1111 0.0364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31973 10133SOL HW131971 6.127 2.610 1.104 -0.7147 -1.4294 2.3491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31974 10133SOL HW231972 6.019 2.489 1.124 -0.6840 -2.2767 -1.6988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31975 10134SOL OW31973 6.751 2.642 1.131 -0.1294 0.4021 -0.2065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31976 10134SOL HW131974 6.671 2.652 1.071 -2.3046 -1.6784 2.1047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31977 10134SOL HW231975 6.822 2.590 1.084 -1.9063 -1.4980 -0.9122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31978 10135SOL OW31976 6.746 2.321 0.161 0.6824 0.2898 -0.6177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31979 10135SOL HW131977 6.772 2.246 0.223 0.4823 -1.4646 -2.5427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31980 10135SOL HW231978 6.663 2.365 0.195 0.1007 -1.1821 -0.0466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31981 10136SOL OW31979 5.827 2.142 1.303 -0.1717 -0.0041 -0.5079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31982 10136SOL HW131980 5.771 2.161 1.383 -2.0941 0.4447 -1.9001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31983 10136SOL HW231981 5.830 2.043 1.287 -2.8032 0.0619 -1.8728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31984 10137SOL OW31982 5.676 3.168 1.238 0.3010 -0.4013 -0.0542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31985 10137SOL HW131983 5.756 3.120 1.274 0.7883 0.6941 0.3666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31986 10137SOL HW231984 5.604 3.169 1.308 1.1424 1.4706 0.8582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31987 10138SOL OW31985 6.219 2.417 0.803 -0.0373 0.0466 0.6293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31988 10138SOL HW131986 6.307 2.424 0.756 -1.7189 -1.9783 -3.3528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31989 10138SOL HW231987 6.186 2.508 0.827 1.5671 1.1413 -1.0698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31990 10139SOL OW31988 5.730 1.973 0.703 0.0543 0.7456 0.3057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31991 10139SOL HW131989 5.653 2.026 0.738 -2.4797 -2.2079 -0.3995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31992 10139SOL HW231990 5.762 1.910 0.774 1.0082 1.0846 0.1871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31993 10140SOL OW31991 7.045 2.067 0.438 0.0180 -0.4010 0.2809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31994 10140SOL HW131992 7.138 2.033 0.420 -0.2193 -0.4259 -0.9674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31995 10140SOL HW231993 7.051 2.154 0.486 0.6986 -0.2253 -0.1059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31996 10141SOL OW31994 6.496 2.565 0.994 0.2604 -0.1199 0.1808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31997 10141SOL HW131995 6.398 2.546 1.004 0.3480 -0.4263 0.5028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31998 10141SOL HW231996 6.531 2.518 0.913 0.1377 -0.0119 0.0669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
31999 10142SOL OW31997 6.425 3.300 1.741 -0.0493 0.2925 0.2491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32000 10142SOL HW131998 6.375 3.338 1.662 0.6038 -0.3886 -0.5154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32001 10142SOL HW231999 6.514 3.266 1.710 -0.3847 -1.3483 0.9943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32002 10143SOL OW32000 5.969 2.793 1.863 0.0674 -0.0247 0.2317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32003 10143SOL HW132001 6.043 2.843 1.909 0.9218 -0.2847 -0.8207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32004 10143SOL HW232002 6.003 2.756 1.776 -1.1382 -0.6721 0.0201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32005 10144SOL OW32003 6.981 2.000 0.143 -0.3591 -0.2039 0.0182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32006 10144SOL HW132004 7.030 1.918 0.116 -1.8384 -1.2533 0.4020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32007 10144SOL HW232005 6.963 1.998 0.241 -2.0432 -0.3766 -0.2619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32008 10145SOL OW32006 6.899 2.525 0.010 -0.2096 0.6254 0.2927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32009 10145SOL HW132007 6.904 2.440 0.061 0.0446 -0.3267 -1.2881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32010 10145SOL HW232008 6.814 2.527 -0.043 0.0345 1.1256 -0.0877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32011 10146SOL OW32009 6.504 3.158 0.887 0.1640 -0.1837 0.2230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32012 10146SOL HW132010 6.520 3.082 0.825 -2.4990 0.3438 -1.2567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32013 10146SOL HW232011 6.548 3.241 0.850 -0.4796 -0.1131 -0.3965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32014 10147SOL OW32012 5.867 2.586 0.858 0.1106 -0.0259 -0.2761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32015 10147SOL HW132013 5.934 2.613 0.928 -0.1022 1.7268 -0.7000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32016 10147SOL HW232014 5.827 2.498 0.882 0.8994 -0.0121 1.1864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32017 10148SOL OW32015 5.767 2.333 0.915 -0.1690 0.0271 0.8139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32018 10148SOL HW132016 5.727 2.263 0.974 1.8380 -0.0739 2.1736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32019 10148SOL HW232017 5.842 2.293 0.862 -0.9469 0.4886 -0.6743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32020 10149SOL OW32018 6.486 2.254 1.771 0.3331 0.6373 0.5064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32021 10149SOL HW132019 6.408 2.288 1.825 1.0143 1.6349 0.8973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32022 10149SOL HW232020 6.571 2.281 1.816 0.9162 1.1918 -0.8788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32023 10150SOL OW32021 6.695 2.025 1.680 0.1042 -0.2391 -0.3690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32024 10150SOL HW132022 6.642 2.102 1.716 0.5151 -0.3199 0.4243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32025 10150SOL HW232023 6.791 2.052 1.672 0.1812 -0.5398 -0.4749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32026 10151SOL OW32024 5.599 3.085 0.247 -0.1096 0.3491 -0.4196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32027 10151SOL HW132025 5.535 3.143 0.197 -0.8272 1.0791 1.2554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32028 10151SOL HW232026 5.564 2.991 0.249 -0.3015 0.4074 -0.8740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32029 10152SOL OW32027 5.628 3.666 0.859 0.5840 0.3081 -0.6383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32030 10152SOL HW132028 5.601 3.572 0.877 1.2599 -0.1028 -1.6606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32031 10152SOL HW232029 5.724 3.669 0.831 1.2362 1.5735 1.5157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32032 10153SOL OW32030 5.958 3.334 0.933 -0.2391 -0.0535 0.5825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32033 10153SOL HW132031 6.032 3.373 0.987 0.7161 -1.5933 0.4273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32034 10153SOL HW232032 5.995 3.277 0.860 -1.5621 -0.3253 0.0815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32035 10154SOL OW32033 6.227 2.692 1.195 -0.5183 0.5356 0.2009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32036 10154SOL HW132034 6.293 2.763 1.219 -0.1708 0.3995 -0.3138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32037 10154SOL HW232035 6.227 2.621 1.265 -0.7308 0.9526 0.6244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32038 10155SOL OW32036 5.539 2.495 0.899 0.2858 -0.2675 -0.3777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32039 10155SOL HW132037 5.580 2.569 0.845 1.1461 0.6396 1.4169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32040 10155SOL HW232038 5.607 2.424 0.914 0.9285 0.7058 1.6425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32041 10156SOL OW32039 5.843 2.423 1.596 0.7784 0.0580 -0.6397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32042 10156SOL HW132040 5.935 2.386 1.585 0.5241 -0.7602 -0.1008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32043 10156SOL HW232041 5.847 2.512 1.640 1.3478 0.2626 -1.1108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32044 10157SOL OW32042 6.889 2.812 1.624 -0.1306 0.1576 0.4166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32045 10157SOL HW132043 6.951 2.875 1.578 2.3884 -2.2080 0.3183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32046 10157SOL HW232044 6.856 2.745 1.558 -2.1263 0.8244 0.6842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32047 10158SOL OW32045 6.246 2.303 0.500 0.1226 0.0145 -0.1144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32048 10158SOL HW132046 6.246 2.256 0.411 0.8425 1.0049 -0.6677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32049 10158SOL HW232047 6.157 2.344 0.516 0.7917 2.3812 -1.8437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32050 10159SOL OW32048 5.733 3.272 1.747 -0.5259 0.0978 -0.3067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32051 10159SOL HW132049 5.671 3.291 1.824 1.2682 -0.0495 1.2536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32052 10159SOL HW232050 5.827 3.268 1.781 0.3772 0.4364 -2.6127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32053 10160SOL OW32051 6.265 2.296 1.098 0.8340 -0.0583 0.3630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32054 10160SOL HW132052 6.209 2.222 1.136 1.0203 0.3607 1.4912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32055 10160SOL HW232053 6.212 2.346 1.029 -0.5320 0.8459 1.9868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32056 10161SOL OW32054 6.594 3.630 1.580 -0.3640 -1.0712 -0.4281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32057 10161SOL HW132055 6.672 3.569 1.567 0.9868 0.2960 0.8439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32058 10161SOL HW232056 6.611 3.715 1.531 -1.0813 -0.7826 -0.1796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32059 10162SOL OW32057 5.644 1.970 0.309 0.1386 -0.8396 0.6419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32060 10162SOL HW132058 5.712 1.917 0.360 1.3626 0.2734 0.1930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32061 10162SOL HW232059 5.689 2.030 0.244 -1.2123 0.6950 1.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32062 10163SOL OW32060 5.652 2.893 1.443 -0.3276 0.2402 -0.3954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32063 10163SOL HW132061 5.683 2.889 1.539 -0.7522 -0.5470 -0.2813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32064 10163SOL HW232062 5.717 2.844 1.386 -0.3642 0.2312 -0.4292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32065 10164SOL OW32063 6.811 2.910 1.171 -0.1418 0.3623 -0.4334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32066 10164SOL HW132064 6.809 2.811 1.158 -0.1433 0.6614 -3.1604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32067 10164SOL HW232065 6.718 2.946 1.167 -0.0076 0.6431 -1.2307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32068 10165SOL OW32066 7.020 2.783 0.030 -0.0591 0.3154 0.8186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32069 10165SOL HW132067 7.120 2.792 0.038 -0.1719 0.6200 1.9916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32070 10165SOL HW232068 6.997 2.687 0.016 0.3903 0.2222 0.6858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32071 10166SOL OW32069 7.193 3.537 1.181 -0.1312 -0.0925 0.0484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32072 10166SOL HW132070 7.244 3.555 1.096 0.6280 -0.8230 0.3312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32073 10166SOL HW232071 7.231 3.457 1.225 -0.9708 -0.1137 0.7450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32074 10167SOL OW32072 6.741 3.550 1.285 -0.5123 -0.1378 0.1696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32075 10167SOL HW132073 6.802 3.498 1.225 -1.1234 -0.4377 -0.2004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32076 10167SOL HW232074 6.795 3.611 1.342 0.1263 -0.3005 -0.2486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32077 10168SOL OW32075 5.742 2.803 1.038 -0.3580 -0.1744 0.4723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32078 10168SOL HW132076 5.757 2.875 0.971 -0.6530 0.3999 1.0180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32079 10168SOL HW232077 5.647 2.773 1.035 -0.7098 0.7671 1.5135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32080 10169SOL OW32078 6.372 3.494 1.513 -0.0072 0.1723 -0.5896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32081 10169SOL HW132079 6.303 3.566 1.504 0.1715 0.4456 0.1386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32082 10169SOL HW232080 6.461 3.536 1.532 0.0346 -0.2436 0.1791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32083 10170SOL OW32081 6.346 1.667 0.039 0.0790 -0.2751 -0.6356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32084 10170SOL HW132082 6.269 1.616 -0.000 -1.0062 -0.4319 1.5453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32085 10170SOL HW232083 6.370 1.628 0.128 -1.6269 3.6452 1.8032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32086 10171SOL OW32084 6.702 3.399 0.481 -0.1460 -0.1625 0.1458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32087 10171SOL HW132085 6.692 3.381 0.383 -1.2823 -1.8199 0.5161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32088 10171SOL HW232086 6.711 3.497 0.496 -1.1277 0.2329 -1.5357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32089 10172SOL OW32087 5.377 3.650 1.844 -0.4989 -0.0413 -0.0471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32090 10172SOL HW132088 5.283 3.660 1.877 -0.4384 1.4093 -0.2704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32091 10172SOL HW232089 5.398 3.552 1.836 -2.4263 -0.4238 -1.2371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32092 10173SOL OW32090 6.763 2.886 0.548 0.4245 0.4982 -0.0658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32093 10173SOL HW132091 6.793 2.792 0.560 -1.3019 -0.1156 -0.3792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32094 10173SOL HW232092 6.743 2.903 0.452 -1.8864 0.3216 0.3356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32095 10174SOL OW32093 6.252 3.003 1.315 0.0302 -0.1781 0.5252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32096 10174SOL HW132094 6.263 3.070 1.389 -0.1767 -0.6393 0.9840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32097 10174SOL HW232095 6.181 2.937 1.340 -0.2360 -0.1786 -0.2102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32098 10175SOL OW32096 6.109 3.404 7.248 0.4996 0.1895 0.3027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32099 10175SOL HW132097 6.118 3.385 7.150 1.0089 -1.9019 0.7044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32100 10175SOL HW232098 6.111 3.318 7.299 -1.5336 1.0923 2.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32101 10176SOL OW32099 5.490 2.081 0.774 -0.0706 -0.2555 -0.0832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32102 10176SOL HW132100 5.403 2.086 0.724 -0.5151 -2.9874 0.2741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32103 10176SOL HW232101 5.471 2.063 0.870 0.8862 1.9244 0.5838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32104 10177SOL OW32102 6.783 3.352 7.214 0.0598 0.6698 -0.8010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32105 10177SOL HW132103 6.847 3.274 7.215 0.3778 0.9252 -0.9031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32106 10177SOL HW232104 6.698 3.324 7.169 0.8015 0.8473 -2.4013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32107 10178SOL OW32105 6.416 2.804 1.401 -0.0768 -0.3240 0.3971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32108 10178SOL HW132106 6.456 2.837 1.487 -0.4196 0.3217 0.3168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32109 10178SOL HW232107 6.359 2.876 1.362 1.8970 0.2883 -1.5725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32110 10179SOL OW32108 6.351 2.569 0.109 0.2560 0.0266 -0.1028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32111 10179SOL HW132109 6.404 2.643 0.067 -1.3464 -0.0852 -2.5325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32112 10179SOL HW232110 6.391 2.546 0.198 1.7611 2.6820 0.0297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32113 10180SOL OW32111 7.099 3.445 0.002 0.0281 -0.0438 -0.3475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32114 10180SOL HW132112 7.121 3.349 0.019 0.2125 0.0351 -0.1466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32115 10180SOL HW232113 7.097 3.461 -0.097 3.2694 0.4930 -0.4208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32116 10181SOL OW32114 5.987 2.931 1.395 -0.1074 -0.1938 -0.4816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32117 10181SOL HW132115 5.971 3.026 1.366 -0.0078 -0.0421 -0.0362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32118 10181SOL HW232116 5.946 2.869 1.328 -0.9728 0.1723 -0.3074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32119 10182SOL OW32117 6.521 2.962 0.653 0.0376 0.3020 -0.0429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32120 10182SOL HW132118 6.496 2.914 0.737 -0.0648 0.0014 -0.2417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32121 10182SOL HW232119 6.615 2.938 0.628 -0.3903 -0.7436 -0.7755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32122 10183SOL OW32120 6.896 1.950 0.847 0.0075 0.4734 0.2933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32123 10183SOL HW132121 6.979 2.005 0.835 1.3954 -1.4721 0.3801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32124 10183SOL HW232122 6.922 1.859 0.881 -1.7540 -1.5242 -3.2232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32125 10184SOL OW32123 6.164 3.211 0.179 0.0005 0.0533 -0.5079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32126 10184SOL HW132124 6.233 3.140 0.191 -0.2881 -0.4949 -1.9226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32127 10184SOL HW232125 6.092 3.199 0.248 0.8579 0.1095 0.4273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32128 10185SOL OW32126 5.617 3.084 0.520 0.1606 0.3143 0.1451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32129 10185SOL HW132127 5.618 3.089 0.420 1.7613 1.0338 0.1714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32130 10185SOL HW232128 5.640 3.173 0.557 -0.8102 0.1492 1.1842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32131 10186SOL OW32129 5.750 2.911 1.694 0.2040 0.1523 -0.5949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32132 10186SOL HW132130 5.719 2.995 1.740 -0.0627 -0.0074 -0.4834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32133 10186SOL HW232131 5.826 2.872 1.746 -0.8368 -0.6572 0.3719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32134 10187SOL OW32132 6.322 2.134 1.359 0.1385 0.0195 0.2505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32135 10187SOL HW132133 6.374 2.219 1.362 0.2531 -0.0682 0.9082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32136 10187SOL HW232134 6.309 2.099 1.452 0.3748 -0.8499 -0.0309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32137 10188SOL OW32135 5.440 2.276 0.076 -0.2227 0.4214 -0.3701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32138 10188SOL HW132136 5.531 2.245 0.103 0.4366 1.0784 -1.7705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32139 10188SOL HW232137 5.373 2.243 0.143 1.0156 -0.1393 0.6400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32140 10189SOL OW32138 6.876 2.632 1.376 -0.5716 0.2712 -0.0833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32141 10189SOL HW132139 6.807 2.626 1.304 -0.6356 2.2219 -0.2250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32142 10189SOL HW232140 6.967 2.619 1.336 -0.6915 0.0245 -0.2813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32143 10190SOL OW32141 5.331 1.786 7.229 -0.1991 -0.0194 0.0854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32144 10190SOL HW132142 5.237 1.768 7.259 -0.8348 -0.6401 -2.1328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32145 10190SOL HW232143 5.351 1.730 7.149 0.8456 2.6972 -1.6654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32146 10191SOL OW32144 6.583 3.050 0.057 0.0789 0.1624 -0.4583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32147 10191SOL HW132145 6.546 3.064 -0.035 -0.1499 0.2669 -0.3458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32148 10191SOL HW232146 6.507 3.029 0.120 0.2301 0.1234 -0.2882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32149 10192SOL OW32147 6.253 2.604 1.550 0.1943 0.1548 0.6556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32150 10192SOL HW132148 6.336 2.656 1.570 0.1811 -0.1847 1.6393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32151 10192SOL HW232149 6.263 2.560 1.461 0.9357 0.3890 0.6121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32152 10193SOL OW32150 6.938 3.441 1.117 0.4642 -0.0522 0.0988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32153 10193SOL HW132151 6.923 3.342 1.115 1.0193 -0.1414 0.2255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32154 10193SOL HW232152 7.032 3.460 1.144 0.5385 0.5026 -0.5292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32155 10194SOL OW32153 6.467 2.392 1.494 -0.2973 -0.2060 0.0374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32156 10194SOL HW132154 6.562 2.424 1.498 -0.1564 -0.0003 -2.8488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32157 10194SOL HW232155 6.443 2.349 1.581 3.1927 -2.3704 0.1318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32158 10195SOL OW32156 7.004 3.060 1.597 -0.1831 0.0832 -0.0160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32159 10195SOL HW132157 6.996 3.039 1.694 2.0675 -4.6158 -0.5642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32160 10195SOL HW232158 7.088 3.113 1.581 0.0310 -0.0833 0.5364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32161 10196SOL OW32159 5.859 3.477 1.624 0.3085 0.2191 -0.6430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32162 10196SOL HW132160 5.782 3.509 1.568 -0.1285 -0.4207 -0.4267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32163 10196SOL HW232161 5.833 3.392 1.670 -0.1919 1.8830 2.3930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32164 10197SOL OW32162 7.127 2.596 1.313 -0.5048 -0.1230 0.1971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32165 10197SOL HW132163 7.170 2.552 1.235 -0.5286 0.5329 -0.1941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32166 10197SOL HW232164 7.167 2.686 1.327 -1.8496 0.5827 -0.2817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32167 10198SOL OW32165 6.720 2.144 0.363 -0.7019 0.7145 -0.0824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32168 10198SOL HW132166 6.773 2.062 0.344 -1.0954 0.5276 -0.4056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32169 10198SOL HW232167 6.735 2.173 0.458 -1.3320 -0.3178 0.3545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32170 10199SOL OW32168 6.015 2.602 0.617 0.1872 -0.5676 0.0072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32171 10199SOL HW132169 6.102 2.651 0.628 -0.1814 0.3010 -0.8127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32172 10199SOL HW232170 5.964 2.606 0.703 1.0221 -1.2635 0.5641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32173 10200SOL OW32171 0.133 2.660 1.567 0.7582 -0.0469 0.3362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32174 10200SOL HW132172 0.154 2.717 1.488 3.1722 -1.3735 -0.0797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32175 10200SOL HW232173 0.134 2.563 1.539 -1.4301 -0.4380 1.3903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32176 10201SOL OW32174 6.194 3.110 7.150 -0.4797 -0.0211 0.0569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32177 10201SOL HW132175 6.165 3.064 7.233 -1.1941 0.6543 0.1873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32178 10201SOL HW232176 6.124 3.100 7.079 0.6664 -1.7094 -0.9338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32179 10202SOL OW32177 6.095 3.597 1.054 -0.3013 -0.4373 -0.4481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32180 10202SOL HW132178 6.128 3.685 1.087 1.4393 -0.8975 -0.8915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32181 10202SOL HW232179 6.139 3.574 0.967 0.1580 -2.2524 0.2102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32182 10203SOL OW32180 6.457 2.825 0.878 0.1131 -0.2313 0.4357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32183 10203SOL HW132181 6.515 2.747 0.903 1.3881 0.9283 1.2618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32184 10203SOL HW232182 6.414 2.862 0.960 0.6205 0.7633 0.2703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32185 10204SOL OW32183 6.505 2.752 0.007 0.8497 -0.5062 0.4668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32186 10204SOL HW132184 6.473 2.772 -0.086 -0.4057 0.6408 1.1165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32187 10204SOL HW232185 6.481 2.827 0.068 -0.6386 -2.3182 2.2426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32188 10205SOL OW32186 7.246 3.341 0.817 0.4236 0.2737 0.1568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32189 10205SOL HW132187 7.158 3.374 0.782 -0.3201 -0.2196 1.4929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32190 10205SOL HW232188 7.234 3.251 0.858 1.5262 0.2675 0.5026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32191 10206SOL OW32189 5.971 3.201 1.884 -0.2343 0.4684 1.1241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32192 10206SOL HW132190 5.889 3.154 1.918 -0.9548 1.4040 0.7050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32193 10206SOL HW232191 6.015 3.250 1.960 -0.0829 0.0161 1.3355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32194 10207SOL OW32192 5.720 2.987 0.826 0.2240 0.3103 0.1857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32195 10207SOL HW132193 5.685 3.059 0.885 1.2630 0.3461 0.7966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32196 10207SOL HW232194 5.788 3.025 0.763 1.5595 -0.2522 1.2073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32197 10208SOL OW32195 6.292 3.240 1.458 -0.3067 0.4137 -0.5508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32198 10208SOL HW132196 6.240 3.217 1.540 -0.6210 1.3242 -0.4794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32199 10208SOL HW232197 6.312 3.338 1.458 2.3060 -0.0522 -0.0652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32200 10209SOL OW32198 7.115 2.078 1.399 0.3995 -0.0378 0.0269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32201 10209SOL HW132199 7.209 2.107 1.413 0.7998 -0.6721 -1.1926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32202 10209SOL HW232200 7.057 2.158 1.380 0.6955 0.3446 0.7178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32203 10210SOL OW32201 5.824 2.184 0.587 0.3634 -0.6348 -0.0506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32204 10210SOL HW132202 5.799 2.106 0.643 -0.6063 -0.6671 -0.5036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32205 10210SOL HW232203 5.742 2.235 0.561 0.6666 -1.0523 -2.0420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32206 10211SOL OW32204 5.638 2.399 1.297 0.0830 -0.1643 -0.0299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32207 10211SOL HW132205 5.630 2.321 1.359 -0.7107 0.6386 0.9011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32208 10211SOL HW232206 5.592 2.377 1.211 -2.8295 0.3097 1.2902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32209 10212SOL OW32207 6.239 3.303 0.512 -0.1447 -0.2380 -0.1357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32210 10212SOL HW132208 6.292 3.385 0.537 -1.2810 -0.3281 2.9724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32211 10212SOL HW232209 6.164 3.329 0.452 -2.0585 1.6642 2.7764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32212 10213SOL OW32210 6.907 2.243 1.102 0.1584 -0.0224 0.6881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32213 10213SOL HW132211 6.969 2.168 1.122 -1.2137 -1.2810 0.3990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32214 10213SOL HW232212 6.826 2.236 1.159 -0.0429 1.2048 0.5876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32215 10214SOL OW32213 6.925 1.709 0.959 0.7592 -0.2858 0.3195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32216 10214SOL HW132214 6.911 1.613 0.935 -0.6728 0.3546 -1.6690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32217 10214SOL HW232215 6.872 1.730 1.041 -0.3668 -0.8180 -0.2348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32218 10215SOL OW32216 6.380 2.951 0.215 0.3198 -0.6738 -0.2078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32219 10215SOL HW132217 6.293 2.903 0.222 0.8841 -1.5569 1.1595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32220 10215SOL HW232218 6.414 2.972 0.307 1.1584 0.3892 -0.7389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32221 10216SOL OW32219 6.018 3.416 1.276 0.0015 -0.0408 0.1993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32222 10216SOL HW132220 6.037 3.450 1.368 0.9770 -1.7653 0.6782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32223 10216SOL HW232221 6.080 3.459 1.210 0.5161 -0.1291 0.6257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32224 10217SOL OW32222 6.815 1.859 7.136 0.3437 -0.3824 -0.0949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32225 10217SOL HW132223 6.875 1.793 7.090 1.3343 0.0815 0.4957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32226 10217SOL HW232224 6.870 1.919 7.194 -0.6275 0.4965 -0.0538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32227 10218SOL OW32225 6.829 2.268 0.607 -0.6357 -0.3503 -0.4109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32228 10218SOL HW132226 6.774 2.342 0.567 -1.0343 -0.2148 0.3754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32229 10218SOL HW232227 6.804 2.255 0.703 -0.4047 -1.3569 -0.4735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32230 10219SOL OW32228 0.010 1.970 0.938 0.4155 0.6502 0.1441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32231 10219SOL HW132229 0.105 1.992 0.963 0.3467 -0.1487 1.1731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32232 10219SOL HW232230 0.006 1.877 0.902 -0.1229 0.2853 1.1150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32233 10220SOL OW32231 5.562 2.800 0.274 0.0882 0.0222 -0.0293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32234 10220SOL HW132232 5.650 2.767 0.308 0.5586 1.0641 -0.2117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32235 10220SOL HW232233 5.510 2.723 0.235 0.0080 -1.0069 1.9584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32236 10221SOL OW32234 6.408 3.363 0.093 0.4448 -0.1712 -0.4206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32237 10221SOL HW132235 6.452 3.306 0.024 3.1758 -0.4450 1.3778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32238 10221SOL HW232236 6.322 3.322 0.121 0.5357 -1.3862 -1.8232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32239 10222SOL OW32237 5.806 2.494 2.119 -0.2966 -0.4107 -0.0986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32240 10222SOL HW132238 5.707 2.506 2.119 -0.2824 -0.2761 -0.4268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32241 10222SOL HW232239 5.839 2.489 2.213 -0.4836 0.6751 0.0342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32242 10223SOL OW32240 5.669 2.196 2.951 0.0658 0.0632 0.1102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32243 10223SOL HW132241 5.659 2.120 3.015 0.6126 -0.5244 -0.4714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32244 10223SOL HW232242 5.682 2.159 2.859 0.8038 0.8485 -0.1126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32245 10224SOL OW32243 5.282 2.382 2.546 0.0806 -0.0027 0.0103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32246 10224SOL HW132244 5.193 2.428 2.544 0.5612 0.9425 -0.2760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32247 10224SOL HW232245 5.341 2.422 2.476 1.7648 1.5310 2.2034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32248 10225SOL OW32246 6.037 3.155 2.927 0.2293 -0.3155 -0.4538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32249 10225SOL HW132247 5.941 3.131 2.914 0.2172 -0.5667 0.0771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32250 10225SOL HW232248 6.047 3.254 2.928 -0.0928 -0.2842 -0.0407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32251 10226SOL OW32249 0.096 3.242 2.474 0.3702 -0.0054 -0.0600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32252 10226SOL HW132250 0.116 3.155 2.519 -2.3298 -0.1554 1.0606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32253 10226SOL HW232251 0.101 3.230 2.375 -0.6477 -1.6523 0.0568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32254 10227SOL OW32252 6.666 2.646 2.414 -0.0002 0.3685 0.2675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32255 10227SOL HW132253 6.733 2.716 2.438 -0.2884 0.0015 2.3873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32256 10227SOL HW232254 6.575 2.676 2.444 -0.5583 0.2084 -1.2061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32257 10228SOL OW32255 0.152 2.385 2.170 0.7001 -0.1883 -0.2714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32258 10228SOL HW132256 0.197 2.421 2.089 0.0190 1.4051 0.0173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32259 10228SOL HW232257 0.070 2.334 2.143 -0.9704 2.4600 -0.5724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32260 10229SOL OW32258 6.231 3.041 2.782 0.4239 -0.1406 0.1749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32261 10229SOL HW132259 6.149 3.076 2.828 -0.2711 -0.0463 -1.0836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32262 10229SOL HW232260 6.259 3.104 2.710 1.9435 0.0885 0.9319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32263 10230SOL OW32261 6.559 2.632 3.570 -0.0120 0.8197 -0.7076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32264 10230SOL HW132262 6.627 2.682 3.625 0.7873 0.2276 -1.1343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32265 10230SOL HW232263 6.527 2.691 3.496 1.3083 0.5752 -1.5167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32266 10231SOL OW32264 6.404 2.975 2.490 -0.5083 0.2322 -0.7054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32267 10231SOL HW132265 6.445 3.065 2.508 -1.8022 0.7441 -0.2214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32268 10231SOL HW232266 6.307 2.978 2.511 -0.2981 -1.7319 0.8213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32269 10232SOL OW32267 6.265 3.008 3.723 -0.2156 -0.0890 -0.1465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32270 10232SOL HW132268 6.316 3.053 3.796 1.4416 0.8880 -1.8285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32271 10232SOL HW232269 6.177 3.053 3.712 0.8570 1.9465 -0.8807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32272 10233SOL OW32270 5.792 3.363 2.975 0.1954 -0.1302 -0.1242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32273 10233SOL HW132271 5.697 3.334 2.963 0.0094 0.7384 -0.8749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32274 10233SOL HW232272 5.825 3.405 2.890 1.4925 -1.0671 -0.1280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32275 10234SOL OW32273 6.871 3.442 3.204 -0.1673 0.4356 -0.1343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32276 10234SOL HW132274 6.971 3.448 3.195 -0.2706 0.0141 -1.9897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32277 10234SOL HW232275 6.842 3.493 3.285 1.3499 2.6066 -0.8383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32278 10235SOL OW32276 5.952 2.207 3.154 -0.2007 0.3091 -0.7954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32279 10235SOL HW132277 6.007 2.226 3.236 -1.7729 1.0946 0.1164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32280 10235SOL HW232278 5.891 2.130 3.172 -0.0810 0.0486 -1.4712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32281 10236SOL OW32279 5.935 3.624 2.064 0.0822 -0.2482 -0.6418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32282 10236SOL HW132280 5.902 3.607 1.971 0.0496 0.4766 -0.7699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32283 10236SOL HW232281 6.002 3.698 2.062 0.5520 -0.6533 -0.1694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32284 10237SOL OW32282 6.643 3.229 3.440 -0.0798 -0.0667 0.3274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32285 10237SOL HW132283 6.721 3.192 3.391 0.1753 -0.5351 1.0656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32286 10237SOL HW232284 6.581 3.155 3.465 0.2418 0.0351 1.4852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32287 10238SOL OW32285 5.666 3.400 2.325 -0.1440 -0.1854 0.6609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32288 10238SOL HW132286 5.664 3.438 2.232 -0.1651 -1.0347 0.3012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32289 10238SOL HW232287 5.708 3.466 2.387 0.8800 -0.0463 -0.1562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32290 10239SOL OW32288 5.940 2.893 2.700 0.2123 0.2359 -0.3474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32291 10239SOL HW132289 5.947 2.813 2.759 0.8361 -0.6954 -1.6397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32292 10239SOL HW232290 5.888 2.964 2.747 1.8289 0.0604 1.8470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32293 10240SOL OW32291 6.098 3.616 3.100 0.1124 0.3509 -0.4724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32294 10240SOL HW132292 6.154 3.651 3.175 2.3309 -1.4100 -1.1977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32295 10240SOL HW232293 6.085 3.688 3.032 2.1011 0.6884 -0.5727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32296 10241SOL OW32294 6.186 2.882 2.143 -0.5525 -0.3485 0.1822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32297 10241SOL HW132295 6.192 2.889 2.044 -1.9637 -0.0758 0.1072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32298 10241SOL HW232296 6.129 2.955 2.179 1.3095 0.6122 1.3899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32299 10242SOL OW32297 7.070 1.874 3.400 0.2721 0.0999 -0.0622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32300 10242SOL HW132298 7.004 1.828 3.340 1.9674 -1.8872 -0.5243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32301 10242SOL HW232299 7.072 1.971 3.377 -2.2345 0.1978 -0.2102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32302 10243SOL OW32300 5.784 2.667 2.551 0.8061 0.0576 -0.2237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32303 10243SOL HW132301 5.825 2.599 2.612 0.6864 0.1568 -0.0325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32304 10243SOL HW232302 5.810 2.759 2.580 1.5223 0.0756 -0.8825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32305 10244SOL OW32303 5.572 3.384 1.923 -0.5957 -0.4718 0.0819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32306 10244SOL HW132304 5.477 3.361 1.944 -0.2971 -0.7894 1.1656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32307 10244SOL HW232305 5.604 3.454 1.987 -0.0988 -0.3868 -0.2568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32308 10245SOL OW32306 7.218 2.770 2.465 -0.0049 -0.7659 -0.4969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32309 10245SOL HW132307 7.260 2.772 2.556 0.9578 -0.4471 -0.9438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32310 10245SOL HW232308 7.287 2.788 2.395 -0.7973 -0.7433 -1.2904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32311 10246SOL OW32309 5.658 2.589 3.366 0.0914 -0.3443 -0.0935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32312 10246SOL HW132310 5.648 2.622 3.272 -1.7074 -0.9594 -0.1585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32313 10246SOL HW232311 5.584 2.628 3.422 1.0036 -0.1727 1.0236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32314 10247SOL OW32312 6.032 3.254 2.517 -0.7066 0.3998 -0.0742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32315 10247SOL HW132313 6.061 3.159 2.521 -0.5079 0.4650 0.0344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32316 10247SOL HW232314 6.085 3.303 2.448 -0.5143 0.5325 0.1635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32317 10248SOL OW32315 6.860 3.073 3.343 0.3500 -0.1235 -0.1986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32318 10248SOL HW132316 6.871 2.985 3.298 2.6234 1.1900 -2.4549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32319 10248SOL HW232317 6.944 3.126 3.336 -0.8628 2.2065 1.2405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32320 10249SOL OW32318 6.323 1.875 2.461 -0.0101 0.0551 0.8173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32321 10249SOL HW132319 6.354 1.903 2.552 -0.0452 -3.3725 2.0154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32322 10249SOL HW232320 6.226 1.900 2.449 0.0827 0.8057 1.5420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32323 10250SOL OW32321 5.932 2.960 3.304 0.6660 -0.0623 -0.3228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32324 10250SOL HW132322 5.973 2.872 3.331 -0.1792 -0.4108 -0.1607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32325 10250SOL HW232323 5.863 2.944 3.234 -0.2650 0.3487 0.4908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32326 10251SOL OW32324 0.030 3.118 2.203 0.7189 0.1052 -0.4675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32327 10251SOL HW132325 -0.028 3.070 2.137 -0.7239 0.3303 0.5943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32328 10251SOL HW232326 0.018 3.217 2.191 1.4821 0.1745 -0.7247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32329 10252SOL OW32327 6.799 3.740 3.334 -0.2327 0.0603 0.7650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32330 10252SOL HW132328 6.759 3.766 3.246 -1.1064 -0.0151 1.1337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32331 10252SOL HW232329 6.745 3.667 3.375 -0.5951 0.9518 1.9494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32332 10253SOL OW32330 5.632 2.040 3.641 -0.7962 -0.2126 -0.0230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32333 10253SOL HW132331 5.698 2.089 3.698 -0.2405 -0.3283 -0.5582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32334 10253SOL HW232332 5.540 2.050 3.680 -0.3747 -0.6428 1.1259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32335 10254SOL OW32333 7.068 3.263 2.815 0.1728 -0.2298 0.1570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32336 10254SOL HW132334 6.980 3.302 2.845 -1.3580 0.3224 -4.2917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32337 10254SOL HW232335 7.052 3.171 2.778 1.3069 0.1111 -1.2514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32338 10255SOL OW32336 0.017 3.490 2.549 0.1072 -0.3787 0.1235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32339 10255SOL HW132337 0.107 3.530 2.567 -0.8572 1.2464 1.6237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32340 10255SOL HW232338 0.029 3.397 2.513 2.3807 0.3047 -1.0999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32341 10256SOL OW32339 6.181 2.649 2.280 0.2791 0.0099 -0.1358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32342 10256SOL HW132340 6.178 2.741 2.242 1.8301 -0.2502 -0.9343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32343 10256SOL HW232341 6.088 2.619 2.300 -0.3621 1.1905 -1.1936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32344 10257SOL OW32342 6.790 2.220 2.609 -0.0218 0.4160 -0.0854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32345 10257SOL HW132343 6.718 2.229 2.678 -0.1938 1.0175 -0.3316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32346 10257SOL HW232344 6.824 2.126 2.608 0.0678 0.4285 0.8970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32347 10258SOL OW32345 7.194 3.482 1.942 -0.5769 -0.3485 0.3000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32348 10258SOL HW132346 7.248 3.404 1.910 0.1190 0.3871 -0.3593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32349 10258SOL HW232347 7.142 3.519 1.865 -2.5967 -1.4582 1.0537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32350 10259SOL OW32348 6.400 2.409 3.203 0.0067 -0.4865 -0.5848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32351 10259SOL HW132349 6.433 2.322 3.239 1.1031 0.0624 -0.2300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32352 10259SOL HW232350 6.364 2.395 3.110 2.2876 -0.9441 -1.4643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32353 10260SOL OW32351 6.887 2.391 3.671 -0.1422 -0.3772 -0.5266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32354 10260SOL HW132352 6.886 2.472 3.729 1.6223 -0.5060 -0.2603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32355 10260SOL HW232353 6.955 2.326 3.705 -1.7197 -2.1249 -0.5649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32356 10261SOL OW32354 6.451 2.798 3.379 0.1582 -0.0877 -0.1044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32357 10261SOL HW132355 6.533 2.759 3.337 -0.2695 -0.9082 -0.1891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32358 10261SOL HW232356 6.382 2.815 3.308 0.2351 0.5709 -0.0297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32359 10262SOL OW32357 6.557 2.298 2.791 -0.0292 0.2707 -0.2342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32360 10262SOL HW132358 6.498 2.307 2.871 1.0631 -0.6517 0.7038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32361 10262SOL HW232359 6.501 2.267 2.713 -0.8922 -0.0484 0.4886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32362 10263SOL OW32360 6.549 2.577 2.182 0.1178 0.3178 0.1016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32363 10263SOL HW132361 6.580 2.592 2.276 2.4588 -1.9149 -0.2204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32364 10263SOL HW232362 6.469 2.518 2.182 0.5940 -0.3430 0.6988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32365 10264SOL OW32363 5.638 2.847 2.951 0.5214 0.1322 0.5457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32366 10264SOL HW132364 5.717 2.802 2.909 0.1758 1.8723 -2.1926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32367 10264SOL HW232365 5.557 2.833 2.893 -0.4044 1.2490 1.5257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32368 10265SOL OW32366 5.586 3.687 3.252 1.2214 0.5846 -0.9179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32369 10265SOL HW132367 5.492 3.718 3.239 0.9021 -0.5689 -1.4346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32370 10265SOL HW232368 5.641 3.711 3.172 0.8206 -0.7089 -1.6026
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32371 10266SOL OW32369 6.453 2.203 2.068 -0.3011 0.1232 -0.4171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32372 10266SOL HW132370 6.356 2.218 2.048 -1.2366 -0.0472 3.2669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32373 10266SOL HW232371 6.479 2.112 2.038 -1.1314 0.3015 -1.7954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32374 10267SOL OW32372 7.222 2.554 3.582 0.1856 -0.5065 0.4673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32375 10267SOL HW132373 7.178 2.631 3.535 -1.4039 -0.1817 2.3928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32376 10267SOL HW232374 7.211 2.471 3.526 -2.3812 -0.3033 0.5642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32377 10268SOL OW32375 7.078 3.004 2.462 -0.3736 -0.2834 -0.8974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32378 10268SOL HW132376 7.167 2.958 2.466 -0.6019 -0.7248 -0.8612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32379 10268SOL HW232377 7.079 3.072 2.388 -0.2472 -0.8111 -1.3904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32380 10269SOL OW32378 6.293 1.902 2.777 -0.2246 -0.4751 0.0318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32381 10269SOL HW132379 6.237 1.964 2.831 1.3172 1.4598 -0.4567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32382 10269SOL HW232380 6.390 1.917 2.798 0.2334 -2.9640 0.0857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32383 10270SOL OW32381 6.537 3.503 2.330 0.1650 0.9671 0.2566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32384 10270SOL HW132382 6.530 3.536 2.236 -0.3687 0.8988 0.2713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32385 10270SOL HW232383 6.501 3.573 2.392 -1.1299 0.3026 0.2792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32386 10271SOL OW32384 5.792 3.598 2.531 -0.1021 -0.2196 -0.1942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32387 10271SOL HW132385 5.865 3.555 2.584 -1.1379 -0.4547 1.0948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32388 10271SOL HW232386 5.810 3.697 2.524 0.8830 -0.4334 -0.8308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32389 10272SOL OW32387 0.038 3.001 2.886 0.5503 0.3976 0.1999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32390 10272SOL HW132388 -0.045 3.001 2.831 0.9349 1.1182 -0.4000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32391 10272SOL HW232389 0.016 3.024 2.981 -0.4658 -3.3527 1.0403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32392 10273SOL OW32390 6.700 3.502 3.418 -0.1401 0.0941 -0.2721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32393 10273SOL HW132391 6.670 3.413 3.384 1.3077 -0.6500 0.3220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32394 10273SOL HW232392 6.726 3.493 3.515 1.9203 0.6777 -0.7303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32395 10274SOL OW32393 5.851 2.776 2.111 -0.4199 -0.5147 -0.0248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32396 10274SOL HW132394 5.880 2.781 2.016 0.9904 0.9668 0.4417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32397 10274SOL HW232395 5.875 2.686 2.149 1.3381 -0.2138 -0.3702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32398 10275SOL OW32396 6.990 2.608 2.625 -0.5483 -0.0415 -0.1291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32399 10275SOL HW132397 6.957 2.519 2.656 -0.3466 0.1724 0.7107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32400 10275SOL HW232398 7.059 2.595 2.554 0.9868 -0.6495 1.4036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32401 10276SOL OW32399 6.038 3.120 3.622 0.1698 -0.4515 0.1820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32402 10276SOL HW132400 6.004 3.114 3.528 0.7030 -0.3638 -0.0256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32403 10276SOL HW232401 5.991 3.054 3.680 -1.0852 0.3898 0.1443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32404 10277SOL OW32402 6.822 3.553 2.211 -0.3313 -0.2839 -0.1871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32405 10277SOL HW132403 6.867 3.576 2.298 -0.2332 -1.0662 -0.0126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32406 10277SOL HW232404 6.743 3.494 2.229 -2.6879 2.6373 -0.3277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32407 10278SOL OW32405 5.754 2.125 3.417 0.2486 -0.6621 0.9308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32408 10278SOL HW132406 5.769 2.223 3.428 2.2493 -1.1431 3.1764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32409 10278SOL HW232407 5.703 2.090 3.496 -0.5183 -1.4608 0.1130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32410 10279SOL OW32408 6.151 3.641 2.285 0.3645 0.2675 0.4891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32411 10279SOL HW132409 6.201 3.721 2.318 -0.6184 1.5386 -0.9672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32412 10279SOL HW232410 6.068 3.671 2.238 -0.9100 -1.7097 1.3700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32413 10280SOL OW32411 7.015 1.946 2.340 0.3548 -0.5902 -0.4050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32414 10280SOL HW132412 7.041 1.850 2.332 -0.2224 -0.7929 0.0393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32415 10280SOL HW232413 7.094 2.004 2.323 0.5925 -1.1327 -1.1729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32416 10281SOL OW32414 5.775 3.650 3.042 0.2049 0.5803 0.2851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32417 10281SOL HW132415 5.788 3.589 3.119 -0.5415 1.5871 1.2328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32418 10281SOL HW232416 5.692 3.625 2.992 -0.3137 1.0298 0.9017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32419 10282SOL OW32417 6.473 3.522 2.635 -0.7628 0.6873 0.3497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32420 10282SOL HW132418 6.488 3.527 2.734 -2.2298 -0.5035 0.6771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32421 10282SOL HW232419 6.522 3.442 2.598 0.3136 1.4945 -0.0309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32422 10283SOL OW32420 5.959 2.522 2.383 0.0501 0.0083 -0.0940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32423 10283SOL HW132421 5.982 2.437 2.431 0.5654 0.0645 -0.2365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32424 10283SOL HW232422 5.906 2.581 2.443 0.9694 0.2176 0.5350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32425 10284SOL OW32423 7.092 2.113 3.217 0.0053 0.0039 -0.4188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32426 10284SOL HW132424 7.137 2.201 3.231 -0.7125 0.3838 -0.4743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32427 10284SOL HW232425 7.157 2.048 3.177 0.1958 0.8728 -1.5517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32428 10285SOL OW32426 6.164 2.054 1.975 0.4185 0.6727 -0.0417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32429 10285SOL HW132427 6.177 1.959 2.003 -0.9618 0.9452 1.7143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32430 10285SOL HW232428 6.106 2.057 1.893 -1.4617 0.0356 1.2038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32431 10286SOL OW32429 6.259 1.973 3.488 0.1970 0.4255 0.4257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32432 10286SOL HW132430 6.285 1.935 3.576 0.0411 1.6945 1.0446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32433 10286SOL HW232431 6.161 1.958 3.473 0.1322 0.6033 0.6735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32434 10287SOL OW32432 6.513 3.562 2.894 0.6906 0.3819 -0.3730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32435 10287SOL HW132433 6.609 3.575 2.871 0.9556 -0.8483 -0.0544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32436 10287SOL HW232434 6.505 3.496 2.969 -0.4473 -0.4964 -1.2212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32437 10288SOL OW32435 6.888 2.578 3.429 -0.1020 -0.3972 0.7908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32438 10288SOL HW132436 6.878 2.516 3.507 -0.2150 -0.4719 0.7177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32439 10288SOL HW232437 6.955 2.648 3.451 -1.5297 0.7471 1.7224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32440 10289SOL OW32438 6.346 3.240 2.647 0.8337 -0.2217 -1.0137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32441 10289SOL HW132439 6.428 3.258 2.593 0.6448 0.3832 -1.1116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32442 10289SOL HW232440 6.267 3.285 2.603 0.8464 1.1535 0.2816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32443 10290SOL OW32441 6.404 2.540 2.658 -0.0434 0.2682 -0.1442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32444 10290SOL HW132442 6.405 2.601 2.579 1.5999 -1.2275 -1.3545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32445 10290SOL HW232443 6.449 2.454 2.634 -3.3790 -2.0202 1.0400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32446 10291SOL OW32444 6.070 1.954 2.372 0.3133 -0.3794 -0.0912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32447 10291SOL HW132445 5.977 1.983 2.392 0.7281 0.1421 1.1226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32448 10291SOL HW232446 6.121 2.031 2.333 1.2327 0.4718 2.5595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32449 10292SOL OW32447 7.021 3.045 1.902 0.5959 -0.4135 0.4570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32450 10292SOL HW132448 7.063 2.963 1.941 -0.8654 -1.2225 0.4069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32451 10292SOL HW232449 6.933 3.061 1.947 0.0247 0.0644 -0.7960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32452 10293SOL OW32450 5.872 2.170 2.118 -0.3001 0.0477 -0.7051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32453 10293SOL HW132451 5.883 2.204 2.025 -0.1249 0.5644 -0.4975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32454 10293SOL HW232452 5.882 2.070 2.119 4.1741 0.3150 -0.6169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32455 10294SOL OW32453 6.583 2.182 2.325 -0.0674 0.0337 -0.2074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32456 10294SOL HW132454 6.545 2.172 2.233 0.6059 -0.7219 -0.4166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32457 10294SOL HW232455 6.676 2.218 2.319 -0.4905 1.2607 0.2652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32458 10295SOL OW32456 6.694 2.734 3.290 -0.2360 0.3888 0.3976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32459 10295SOL HW132457 6.751 2.666 3.337 -0.9580 0.0630 0.8315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32460 10295SOL HW232458 6.752 2.801 3.244 0.4958 0.1924 1.0124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32461 10296SOL OW32459 6.944 3.425 2.492 0.3298 0.4459 0.0311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32462 10296SOL HW132460 6.932 3.524 2.486 2.4051 0.6718 -1.5713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32463 10296SOL HW232461 7.006 3.404 2.568 2.1180 0.6773 -1.3013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32464 10297SOL OW32462 6.138 2.984 2.498 -0.4672 -0.4018 -0.3645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32465 10297SOL HW132463 6.098 2.934 2.575 -0.0102 -0.9108 -0.4500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32466 10297SOL HW232464 6.071 2.993 2.425 -1.2285 0.9017 0.4376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32467 10298SOL OW32465 6.870 3.682 2.473 0.3745 0.0803 -0.0931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32468 10298SOL HW132466 6.779 3.708 2.503 -0.3266 -0.6574 -1.4545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32469 10298SOL HW232467 6.939 3.740 2.517 -0.7164 0.4763 1.1464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32470 10299SOL OW32468 6.251 2.374 1.856 -0.3015 0.6042 -0.2280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32471 10299SOL HW132469 6.152 2.375 1.847 -0.3123 -0.0175 -0.2234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32472 10299SOL HW232470 6.278 2.422 1.939 -0.5748 1.0448 -0.3901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32473 10300SOL OW32471 5.284 2.279 3.216 0.3417 -0.0105 -0.1278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32474 10300SOL HW132472 5.224 2.349 3.254 0.5141 -0.3387 0.7782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32475 10300SOL HW232473 5.355 2.321 3.160 0.8049 0.6025 0.8917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32476 10301SOL OW32474 6.134 2.085 2.922 -0.0027 0.1699 0.3999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32477 10301SOL HW132475 6.189 2.061 3.002 0.2014 -0.3684 0.1010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32478 10301SOL HW232476 6.039 2.099 2.950 -0.2518 -1.5849 0.5003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32479 10302SOL OW32477 6.438 2.262 2.566 0.0493 -0.3717 0.1888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32480 10302SOL HW132478 6.360 2.307 2.523 -1.6753 -0.5884 2.8392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32481 10302SOL HW232479 6.491 2.213 2.497 -1.4772 0.7236 -1.8733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32482 10303SOL OW32480 6.620 1.925 2.498 0.2822 -0.0472 -0.8557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32483 10303SOL HW132481 6.561 1.984 2.443 -2.0159 0.1344 1.5638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32484 10303SOL HW232482 6.576 1.836 2.509 -1.0427 0.8722 3.0718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32485 10304SOL OW32483 7.063 3.003 2.742 0.1693 -0.0047 0.3057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32486 10304SOL HW132484 7.003 2.932 2.780 -0.5624 -0.1102 -0.9581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32487 10304SOL HW232485 7.053 3.003 2.642 1.1562 1.0061 0.1979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32488 10305SOL OW32486 6.999 2.359 2.765 0.1129 -0.2871 -0.7805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32489 10305SOL HW132487 6.915 2.359 2.819 0.2069 -2.1173 -0.5725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32490 10305SOL HW232488 7.070 2.411 2.814 -0.4977 0.1305 -0.3210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32491 10306SOL OW32489 0.206 2.619 2.315 0.0281 -0.5073 -0.0746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32492 10306SOL HW132490 0.248 2.593 2.402 2.0139 -0.1652 -0.8866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32493 10306SOL HW232491 0.190 2.537 2.260 -0.3679 -0.6372 0.2292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32494 10307SOL OW32492 6.050 3.362 2.102 -0.6357 -0.0799 -0.3290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32495 10307SOL HW132493 6.013 3.452 2.076 0.0856 0.4720 0.4987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32496 10307SOL HW232494 6.080 3.365 2.198 1.4343 -0.5356 -0.9261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32497 10308SOL OW32495 6.897 2.405 1.938 0.2686 -0.1478 -0.3783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32498 10308SOL HW132496 6.801 2.375 1.938 0.0760 0.4168 0.8826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32499 10308SOL HW232497 6.923 2.434 2.029 1.2300 1.0994 -1.0207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32500 10309SOL OW32498 6.152 2.170 2.219 0.1839 0.6623 0.2762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32501 10309SOL HW132499 6.147 2.136 2.125 -2.0693 -2.4696 1.3800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32502 10309SOL HW232500 6.065 2.212 2.244 0.2872 0.2466 1.3775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32503 10310SOL OW32501 6.459 3.345 3.132 0.3738 0.6476 -0.0906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32504 10310SOL HW132502 6.436 3.262 3.183 -2.2327 0.8115 -0.8953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32505 10310SOL HW232503 6.423 3.425 3.179 2.1835 1.3150 0.2575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32506 10311SOL OW32504 7.065 3.449 3.451 -0.1200 0.3176 0.3971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32507 10311SOL HW132505 6.991 3.469 3.516 -0.0375 1.2087 0.2389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32508 10311SOL HW232506 7.111 3.535 3.427 0.0131 -0.0386 -0.6466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32509 10312SOL OW32507 6.568 3.237 2.915 -0.3397 -0.6165 -0.3062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32510 10312SOL HW132508 6.542 3.289 2.997 -0.2730 0.5258 -0.9897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32511 10312SOL HW232509 6.489 3.231 2.853 0.2198 0.4869 -1.1558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32512 10313SOL OW32510 7.215 3.064 3.174 -0.1998 -1.3329 -0.7522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32513 10313SOL HW132511 7.186 3.128 3.245 -0.2332 -0.1350 -1.8039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32514 10313SOL HW232512 7.204 2.971 3.206 -2.4741 -0.8706 -0.0583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32515 10314SOL OW32513 6.591 2.105 3.045 0.1345 0.3086 0.1690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32516 10314SOL HW132514 6.595 2.065 2.954 1.1488 -1.7588 1.0539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32517 10314SOL HW232515 6.679 2.147 3.067 0.1299 0.1900 0.4269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32518 10315SOL OW32516 6.452 3.038 3.513 0.6844 0.0924 -0.1759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32519 10315SOL HW132517 6.361 3.055 3.552 0.0620 -1.2557 -0.9623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32520 10315SOL HW232518 6.451 2.951 3.463 2.3125 0.2461 -0.5300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32521 10316SOL OW32519 6.551 3.029 2.246 -0.3046 0.6597 0.1841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32522 10316SOL HW132520 6.499 2.993 2.324 -0.9089 2.5798 0.7025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32523 10316SOL HW232521 6.554 2.959 2.174 1.2775 -1.6613 2.3083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32524 10317SOL OW32522 5.987 2.688 3.300 -0.2949 -0.2120 -0.0402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32525 10317SOL HW132523 6.048 2.672 3.376 -0.8416 0.9258 0.6663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32526 10317SOL HW232524 5.983 2.606 3.242 0.6699 -0.8323 0.7449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32527 10318SOL OW32525 6.774 2.415 2.901 -0.0897 -0.3490 0.0120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32528 10318SOL HW132526 6.741 2.477 2.971 0.1684 1.4226 -1.3497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32529 10318SOL HW232527 6.696 2.376 2.851 -0.2357 0.6197 -0.5399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32530 10319SOL OW32528 5.679 3.381 3.363 0.3210 -0.5697 -0.4581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32531 10319SOL HW132529 5.607 3.405 3.297 -0.5761 -1.1527 0.2978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32532 10319SOL HW232530 5.768 3.390 3.318 -0.3139 -2.4613 -2.2746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32533 10320SOL OW32531 5.928 2.979 2.303 0.1624 -0.7765 0.4344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32534 10320SOL HW132532 5.851 3.036 2.334 0.1068 -0.9738 0.6571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32535 10320SOL HW232533 5.892 2.901 2.252 0.2902 0.2067 -1.2599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32536 10321SOL OW32534 5.951 2.496 2.679 0.5118 0.6378 -0.7545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32537 10321SOL HW132535 5.976 2.403 2.651 -0.3121 0.7880 -2.0835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32538 10321SOL HW232536 6.025 2.535 2.734 -0.1494 -1.6932 2.0337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32539 10322SOL OW32537 7.012 3.227 2.327 0.0906 -0.0255 0.4336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32540 10322SOL HW132538 7.077 3.283 2.276 1.0599 -0.5317 1.0945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32541 10322SOL HW232539 6.970 3.282 2.399 -2.5815 1.2211 -1.8454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32542 10323SOL OW32540 6.819 3.370 2.923 0.0009 -0.3198 0.5664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32543 10323SOL HW132541 6.824 3.383 3.022 -0.5298 0.2804 0.5168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32544 10323SOL HW232542 6.753 3.298 2.902 0.5629 -0.8723 0.6765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32545 10324SOL OW32543 6.977 2.470 2.211 0.2520 0.1056 -0.1149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32546 10324SOL HW132544 6.917 2.460 2.290 0.4700 0.7796 0.1474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32547 10324SOL HW232545 7.001 2.567 2.200 -0.5958 0.1915 -1.6038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32548 10325SOL OW32546 5.887 3.447 3.196 0.0256 0.3939 -0.1942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32549 10325SOL HW132547 5.844 3.399 3.120 -2.6281 0.6946 1.0101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32550 10325SOL HW232548 5.962 3.505 3.162 -0.9996 0.4313 -2.5258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32551 10326SOL OW32549 6.073 2.320 3.391 0.0152 -0.8393 0.1383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32552 10326SOL HW132550 6.105 2.414 3.378 0.0932 -1.1111 -1.9797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32553 10326SOL HW232551 6.135 2.272 3.453 0.5902 0.2038 0.3910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32554 10327SOL OW32552 7.061 2.779 3.489 -0.6650 -0.0007 -0.0398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32555 10327SOL HW132553 7.013 2.856 3.532 0.2824 0.7420 -0.2716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32556 10327SOL HW232554 7.086 2.804 3.396 0.8856 -0.0304 0.3431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32557 10328SOL OW32555 6.737 1.862 3.462 0.8467 0.0013 0.0830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32558 10328SOL HW132556 6.696 1.950 3.438 -0.2344 -0.3132 0.6758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32559 10328SOL HW232557 6.797 1.831 3.389 -0.4547 0.2034 -1.0990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32560 10329SOL OW32558 5.986 1.933 3.487 -0.7573 0.1821 0.0947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32561 10329SOL HW132559 5.946 1.842 3.490 -2.0279 0.6933 -0.4665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32562 10329SOL HW232560 5.925 1.995 3.438 -0.1036 1.4294 0.7887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32563 10330SOL OW32561 6.098 2.807 3.012 -0.7260 0.3900 0.0305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32564 10330SOL HW132562 6.123 2.890 2.961 -0.2706 0.1246 -0.1831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32565 10330SOL HW232563 6.162 2.795 3.088 -3.1741 2.5025 2.6539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32566 10331SOL OW32564 6.870 2.785 2.805 -0.4544 -0.2830 -0.8045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32567 10331SOL HW132565 6.771 2.770 2.812 -0.3065 -0.8387 0.4823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32568 10331SOL HW232566 6.907 2.732 2.729 -1.0973 -0.3426 -1.0791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32569 10332SOL OW32567 6.625 2.392 1.996 -1.0783 0.3718 -1.1575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32570 10332SOL HW132568 6.554 2.326 2.023 0.1273 -0.2883 0.5261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32571 10332SOL HW232569 6.624 2.469 2.060 0.0107 0.1223 -0.8223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32572 10333SOL OW32570 5.733 2.017 3.153 -0.3477 0.2699 0.1353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32573 10333SOL HW132571 5.707 2.045 3.246 0.5087 0.5707 0.2937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32574 10333SOL HW232572 5.732 1.918 3.147 -1.9221 0.2735 0.0118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32575 10334SOL OW32573 5.404 3.320 3.209 0.1786 -0.5415 0.2445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32576 10334SOL HW132574 5.370 3.405 3.250 0.5214 -1.3020 2.2324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32577 10334SOL HW232575 5.331 3.253 3.207 -0.5233 0.1505 -2.6752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32578 10335SOL OW32576 6.170 2.540 2.849 0.4111 -0.1296 -0.2731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32579 10335SOL HW132577 6.225 2.582 2.777 1.0051 -1.5575 -0.6924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32580 10335SOL HW232578 6.170 2.599 2.930 1.9731 0.2454 -0.5161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32581 10336SOL OW32579 5.814 1.721 2.461 0.5534 -0.2738 -0.3890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32582 10336SOL HW132580 5.811 1.761 2.553 1.2424 1.3717 -1.0637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32583 10336SOL HW232581 5.860 1.632 2.466 -1.7718 -1.4997 1.2719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32584 10337SOL OW32582 7.170 2.302 2.102 -0.0101 0.4858 -0.2637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32585 10337SOL HW132583 7.166 2.220 2.159 2.9818 -0.2136 -0.9036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32586 10337SOL HW232584 7.091 2.360 2.121 -1.5152 -1.8946 1.1723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32587 10338SOL OW32585 6.584 2.679 2.818 0.0911 -0.7295 -0.0907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32588 10338SOL HW132586 6.594 2.611 2.891 0.0372 -1.3150 -0.6134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32589 10338SOL HW232587 6.522 2.643 2.748 -1.0611 0.4367 0.2911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32590 10339SOL OW32588 6.499 3.390 3.624 -0.9188 -0.1413 0.1921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32591 10339SOL HW132589 6.433 3.432 3.562 -0.4534 0.8098 0.3145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32592 10339SOL HW232590 6.559 3.328 3.573 -0.1702 1.0696 -0.4432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32593 10340SOL OW32591 5.951 2.455 3.661 0.3626 0.3648 -0.2534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32594 10340SOL HW132592 6.020 2.384 3.646 -1.5692 -1.3355 -1.5423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32595 10340SOL HW232593 5.921 2.491 3.573 -0.2215 1.2778 0.3059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32596 10341SOL OW32594 6.955 2.084 1.961 0.1061 0.3126 -0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32597 10341SOL HW132595 6.902 2.004 1.989 -0.1048 0.5757 0.2176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32598 10341SOL HW232596 6.969 2.144 2.040 1.2839 0.0717 -0.1557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32599 10342SOL OW32597 6.990 2.688 1.842 0.1637 0.4359 -0.2452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32600 10342SOL HW132598 6.938 2.604 1.848 -0.2110 0.7258 0.9555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32601 10342SOL HW232599 6.950 2.748 1.773 0.7023 -0.5273 -1.4282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32602 10343SOL OW32600 6.586 3.260 2.521 0.9920 -0.0905 -0.5416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32603 10343SOL HW132601 6.659 3.205 2.562 1.5506 -0.1859 -1.6304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32604 10343SOL HW232602 6.617 3.298 2.434 0.2955 1.2232 -0.2467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32605 10344SOL OW32603 5.870 2.710 2.884 -0.2358 0.1226 0.2151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32606 10344SOL HW132604 5.837 2.616 2.894 1.4750 -0.9359 -2.8021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32607 10344SOL HW232605 5.953 2.722 2.938 0.1458 -0.4807 -0.2195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32608 10345SOL OW32606 5.746 2.454 2.896 -0.2415 -0.1183 -0.8375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32609 10345SOL HW132607 5.729 2.360 2.925 3.2645 -1.2355 -1.9302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32610 10345SOL HW232608 5.782 2.455 2.803 -0.0981 2.3146 -0.8314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32611 10346SOL OW32609 6.675 2.146 3.387 0.2252 0.1877 -0.0877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32612 10346SOL HW132610 6.685 2.229 3.442 -0.0928 -0.4106 0.9086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32613 10346SOL HW232611 6.722 2.157 3.300 -0.3899 1.6647 -0.2615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32614 10347SOL OW32612 6.993 2.451 3.172 0.7058 0.2227 -0.5048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32615 10347SOL HW132613 6.963 2.495 3.257 -0.4294 -2.8217 0.8272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32616 10347SOL HW232614 7.081 2.406 3.188 1.1260 0.7429 -1.3523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32617 10348SOL OW32615 5.740 3.094 1.957 -0.2457 0.3292 -0.4572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32618 10348SOL HW132616 5.669 3.154 1.993 -0.3923 -0.4690 0.6386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32619 10348SOL HW232617 5.744 3.010 2.012 2.5906 1.0112 0.5501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32620 10349SOL OW32618 5.556 3.573 2.909 0.6009 -0.5425 -0.1687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32621 10349SOL HW132619 5.528 3.480 2.932 0.7454 -0.7793 -0.9211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32622 10349SOL HW232620 5.476 3.627 2.883 0.6260 -0.7450 -0.6903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32623 10350SOL OW32621 5.977 3.449 2.691 0.2207 0.3137 -0.1549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32624 10350SOL HW132622 6.039 3.438 2.768 -1.1827 -0.1032 0.9565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32625 10350SOL HW232623 5.982 3.368 2.632 1.5986 0.8114 -0.7777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32626 10351SOL OW32624 6.609 2.547 3.068 0.1723 0.2528 0.2403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32627 10351SOL HW132625 6.663 2.610 3.123 0.1262 1.7936 -1.3772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32628 10351SOL HW232626 6.529 2.516 3.120 0.6563 0.8414 1.3603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32629 10352SOL OW32627 5.456 2.353 3.018 0.3644 0.6464 -0.5518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32630 10352SOL HW132628 5.461 2.439 2.968 1.6690 1.1496 0.3755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32631 10352SOL HW232629 5.542 2.303 3.007 0.4000 0.4265 0.5532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32632 10353SOL OW32630 5.812 2.377 3.423 0.0023 -0.0190 -0.0230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32633 10353SOL HW132631 5.904 2.391 3.385 -0.7576 -1.2065 -2.4513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32634 10353SOL HW232632 5.755 2.456 3.400 -0.2643 -0.4220 -0.7692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32635 10354SOL OW32633 6.913 3.018 3.593 0.7712 0.1260 -0.0528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32636 10354SOL HW132634 6.964 3.095 3.631 -2.2564 1.4447 1.6738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32637 10354SOL HW232635 6.867 3.046 3.509 -1.4908 0.8284 1.3104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32638 10355SOL OW32636 6.256 2.382 2.381 0.2281 -0.1938 0.3314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32639 10355SOL HW132637 6.249 2.320 2.303 -3.6520 -0.7846 0.9695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32640 10355SOL HW232638 6.216 2.470 2.358 2.8011 1.1133 0.4716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32641 10356SOL OW32639 5.772 3.248 3.591 -0.0803 0.0126 -0.4195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32642 10356SOL HW132640 5.785 3.150 3.608 0.1833 -0.0779 -1.1201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32643 10356SOL HW232641 5.723 3.261 3.506 -0.8678 0.4800 0.0921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32644 10357SOL OW32642 6.324 2.329 2.958 -0.2067 -0.2211 0.0044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32645 10357SOL HW132643 6.270 2.245 2.947 0.7039 -0.6280 -1.7880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32646 10357SOL HW232644 6.285 2.401 2.900 1.2113 -0.5881 -1.5036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32647 10358SOL OW32645 6.378 3.555 3.260 -0.3084 0.1164 0.0961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32648 10358SOL HW132646 6.380 3.653 3.241 -3.1459 0.0454 -1.0220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32649 10358SOL HW232647 6.341 3.540 3.352 -2.1140 0.1040 -0.5908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32650 10359SOL OW32648 5.935 2.496 1.896 -0.4386 -0.4496 0.0279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32651 10359SOL HW132649 5.927 2.591 1.867 -1.4619 -0.3950 0.4527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32652 10359SOL HW232650 5.900 2.487 1.989 -0.3869 -1.2511 -0.0259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32653 10360SOL OW32651 5.758 2.978 3.547 0.4438 0.0882 -0.2424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32654 10360SOL HW132652 5.795 2.914 3.615 0.8736 1.9822 1.4069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32655 10360SOL HW232653 5.814 2.975 3.465 1.5691 -0.3087 0.5109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32656 10361SOL OW32654 6.672 2.990 2.981 -0.0013 -0.2195 0.0798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32657 10361SOL HW132655 6.601 2.921 2.968 0.1118 -0.3137 -0.0472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32658 10361SOL HW232656 6.630 3.079 2.997 -0.1578 -0.4604 1.0804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32659 10362SOL OW32657 7.195 2.857 1.988 0.4487 0.5398 -0.4903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32660 10362SOL HW132658 7.273 2.818 2.036 1.0850 -1.3297 -2.8458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32661 10362SOL HW232659 7.138 2.783 1.952 -1.4684 1.8664 -0.3091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32662 10363SOL OW32660 7.135 3.391 3.127 -0.1314 0.6685 -0.4066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32663 10363SOL HW132661 7.145 3.346 3.216 -1.3101 2.2739 0.6016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32664 10363SOL HW232662 7.155 3.326 3.054 -1.7324 -1.4980 0.9437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32665 10364SOL OW32663 6.755 3.618 2.808 0.1082 -0.0967 -0.3739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32666 10364SOL HW132664 6.775 3.520 2.813 -2.7194 -0.6954 1.6426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32667 10364SOL HW232665 6.815 3.668 2.871 1.5677 -0.4587 -1.4190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32668 10365SOL OW32666 5.533 3.296 2.954 0.3056 0.1937 -0.1555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32669 10365SOL HW132667 5.488 3.319 3.040 1.6333 -0.9184 0.8724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32670 10365SOL HW232668 5.473 3.236 2.900 -1.3011 2.3519 -0.8816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32671 10366SOL OW32669 6.314 3.745 3.510 0.4326 -0.0375 0.0521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32672 10366SOL HW132670 6.280 3.714 3.599 1.7205 -1.1687 0.1736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32673 10366SOL HW232671 6.404 3.788 3.521 0.6343 -0.2416 -0.7099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32674 10367SOL OW32672 7.239 3.380 2.183 0.3166 0.2799 -0.3588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32675 10367SOL HW132673 7.248 3.463 2.239 0.0529 -0.6461 1.1054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32676 10367SOL HW232674 7.189 3.403 2.099 -1.3963 1.2842 0.8506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32677 10368SOL OW32675 5.452 3.613 3.770 0.4485 -0.1898 -0.3582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32678 10368SOL HW132676 5.539 3.659 3.752 1.6122 -2.3789 -0.7618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32679 10368SOL HW232677 5.464 3.550 3.848 -0.5081 -1.1458 -0.9588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32680 10369SOL OW32678 6.863 2.828 2.482 0.0536 -0.2117 -0.2238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32681 10369SOL HW132679 6.916 2.752 2.519 0.7580 -0.0280 -0.8084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32682 10369SOL HW232680 6.924 2.906 2.467 -0.6515 0.4580 0.3276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32683 10370SOL OW32681 6.245 3.132 3.169 -0.1140 0.0057 0.3504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32684 10370SOL HW132682 6.209 3.185 3.246 -0.8548 1.9453 -1.2376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32685 10370SOL HW232683 6.195 3.155 3.086 0.8487 -1.8062 -0.8032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32686 10371SOL OW32684 6.268 3.445 1.956 0.3141 -0.2120 -0.2330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32687 10371SOL HW132685 6.301 3.381 1.887 1.4949 -1.2069 1.2048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32688 10371SOL HW232686 6.215 3.395 2.025 1.3430 0.3091 0.9666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32689 10372SOL OW32687 5.827 2.098 2.390 -0.3341 -0.4225 -0.3986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32690 10372SOL HW132688 5.803 2.111 2.294 -0.3214 0.7403 -0.2510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32691 10372SOL HW232689 5.746 2.111 2.447 -0.1523 -0.2236 -0.1849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32692 10373SOL OW32690 6.721 3.315 1.968 0.2460 0.0055 0.1664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32693 10373SOL HW132691 6.777 3.254 2.024 -0.5633 0.1370 1.1572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32694 10373SOL HW232692 6.627 3.278 1.964 0.7914 -1.4087 -3.2433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32695 10374SOL OW32693 6.317 2.868 3.161 -0.0937 -0.4129 0.1929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32696 10374SOL HW132694 6.373 2.859 3.079 1.5504 0.5536 1.1597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32697 10374SOL HW232695 6.284 2.962 3.169 -1.0509 -0.7376 0.1458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32698 10375SOL OW32696 6.541 2.814 2.066 -0.6728 0.3792 -0.4132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32699 10375SOL HW132697 6.579 2.737 2.118 2.0747 2.4240 0.8870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32700 10375SOL HW232698 6.477 2.780 1.997 -0.4964 -2.9106 0.8745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32701 10376SOL OW32699 7.043 3.529 1.725 0.1905 -0.3875 -0.1086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32702 10376SOL HW132700 6.990 3.444 1.728 0.1575 -0.4870 -1.9448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32703 10376SOL HW232701 6.980 3.607 1.735 0.4328 -0.5061 3.5521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32704 10377SOL OW32702 6.033 3.213 3.339 0.0115 0.4264 0.9334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32705 10377SOL HW132703 6.005 3.281 3.272 0.2604 -0.7091 -0.3578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32706 10377SOL HW232704 5.991 3.125 3.317 1.4102 -0.3540 1.2982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32707 10378SOL OW32705 6.682 3.047 2.669 -0.5184 0.5208 -0.2471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32708 10378SOL HW132706 6.679 3.032 2.768 -2.8695 0.7987 -0.2242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32709 10378SOL HW232707 6.731 2.972 2.625 0.6229 0.4374 1.1124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32710 10379SOL OW32708 6.574 1.948 2.814 0.1313 -0.2657 -0.0914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32711 10379SOL HW132709 6.631 1.949 2.732 -1.0217 0.9204 -0.9040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32712 10379SOL HW232710 6.617 1.889 2.883 1.0708 -1.3606 -1.5499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32713 10380SOL OW32711 6.179 3.381 2.325 0.3323 -0.1167 0.0269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32714 10380SOL HW132712 6.249 3.343 2.264 -1.4640 -0.2866 -2.0598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32715 10380SOL HW232713 6.169 3.479 2.306 0.8706 0.1835 1.2280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32716 10381SOL OW32714 5.654 3.127 2.312 -0.3405 -0.3444 -0.2281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32717 10381SOL HW132715 5.592 3.108 2.236 0.0518 -1.3972 -0.2946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32718 10381SOL HW232716 5.664 3.226 2.322 -1.1762 -0.1791 -0.9051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32719 10382SOL OW32717 5.835 2.685 3.735 -0.5129 -0.3426 0.5138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32720 10382SOL HW132718 5.745 2.674 3.778 -1.3315 1.1533 -0.7283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32721 10382SOL HW232719 5.875 2.595 3.720 -2.5394 -1.1652 -0.3878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32722 10383SOL OW32720 6.333 2.067 3.110 0.2348 0.1015 0.3356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32723 10383SOL HW132721 6.426 2.072 3.073 0.4446 -0.6148 0.7469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32724 10383SOL HW232722 6.329 2.117 3.196 0.2420 0.1121 0.3300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32725 10384SOL OW32723 5.574 2.388 1.899 0.1284 0.3591 -0.1642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32726 10384SOL HW132724 5.579 2.308 1.840 3.7046 -2.1959 3.0764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32727 10384SOL HW232725 5.617 2.466 1.854 1.5492 -1.1000 -1.4499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32728 10385SOL OW32726 6.861 2.882 3.145 -0.3382 -0.3710 -0.7158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32729 10385SOL HW132727 6.800 2.927 3.080 -0.3427 -1.2126 -1.3152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32730 10385SOL HW232728 6.915 2.813 3.097 -0.2850 -0.9557 0.1636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32731 10386SOL OW32729 5.613 2.180 2.072 -0.2628 -0.2139 0.2264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32732 10386SOL HW132730 5.602 2.249 2.000 -0.2103 -0.6681 -0.2220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32733 10386SOL HW232731 5.710 2.169 2.093 -0.3172 0.3492 0.7957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32734 10387SOL OW32732 6.825 3.139 2.152 -0.1862 0.5538 0.2987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32735 10387SOL HW132733 6.751 3.098 2.206 1.0452 0.6515 2.1638
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32736 10387SOL HW232734 6.900 3.164 2.213 1.0608 1.2039 -1.4354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32737 10388SOL OW32735 6.238 2.546 3.389 -0.2117 -0.1010 -0.0519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32738 10388SOL HW132736 6.296 2.575 3.466 0.7932 -2.3433 0.1300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32739 10388SOL HW232737 6.296 2.520 3.312 -1.2006 1.7974 -1.5188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32740 10389SOL OW32738 7.144 3.618 2.772 0.4772 0.3500 -0.7055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32741 10389SOL HW132739 7.208 3.565 2.715 1.0343 0.2710 -0.0142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32742 10389SOL HW232740 7.121 3.566 2.854 1.8241 1.5422 0.4948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32743 10390SOL OW32741 6.399 2.140 3.347 -0.4144 0.1491 -0.4600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32744 10390SOL HW132742 6.499 2.134 3.354 -0.3081 1.7264 -0.1874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32745 10390SOL HW232743 6.357 2.059 3.388 0.6925 0.5385 1.5536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32746 10391SOL OW32744 7.112 3.199 3.395 -0.0481 -0.3614 -0.3304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32747 10391SOL HW132745 7.086 3.293 3.415 0.6638 0.2464 -2.1585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32748 10391SOL HW232746 7.158 3.160 3.475 1.6413 1.5704 -0.2799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32749 10392SOL OW32747 5.910 3.533 3.519 0.3330 0.4445 -0.9576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32750 10392SOL HW132748 5.850 3.604 3.481 -1.2572 0.6555 1.6955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32751 10392SOL HW232749 5.861 3.446 3.523 1.5284 -0.3146 -2.1769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32752 10393SOL OW32750 7.030 2.695 3.039 -0.2203 -0.0281 -0.0522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32753 10393SOL HW132751 7.010 2.606 3.078 -1.2145 0.1280 -0.1926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32754 10393SOL HW232752 6.985 2.705 2.950 1.7959 -0.2729 -1.1687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32755 10394SOL OW32753 6.879 2.176 2.283 0.5560 -0.3981 0.0135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32756 10394SOL HW132754 6.925 2.090 2.309 0.5416 -0.4782 -0.2222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32757 10394SOL HW232755 6.827 2.211 2.361 1.6237 0.0909 0.5189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32758 10395SOL OW32756 6.405 2.716 2.453 0.0914 0.2652 -0.2738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32759 10395SOL HW132757 6.412 2.814 2.473 -1.9117 0.0855 1.6807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32760 10395SOL HW232758 6.329 2.700 2.390 -1.2725 -0.1749 1.3926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32761 10396SOL OW32759 7.205 2.779 3.236 0.3758 -0.1196 -0.4524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32762 10396SOL HW132760 7.301 2.756 3.243 -0.3163 -2.8752 0.8558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32763 10396SOL HW232761 7.171 2.751 3.146 0.4712 -0.4867 -0.3752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32764 10397SOL OW32762 6.372 3.150 1.950 -0.2116 -0.0404 -0.3985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32765 10397SOL HW132763 6.378 3.203 2.034 0.7318 -2.2344 0.9932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32766 10397SOL HW232764 6.406 3.206 1.873 0.5853 1.4086 0.9434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32767 10398SOL OW32765 5.987 3.809 2.636 0.5770 -0.1498 0.1051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32768 10398SOL HW132766 5.989 3.886 2.572 -0.8386 1.0220 1.3938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32769 10398SOL HW232767 6.081 3.775 2.649 1.0162 0.2020 -1.7938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32770 10399SOL OW32768 6.417 2.886 2.912 0.4795 0.1070 0.1500
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32771 10399SOL HW132769 6.453 2.825 2.841 0.3883 1.7118 -1.3439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32772 10399SOL HW232770 6.360 2.956 2.870 2.3461 2.5836 1.4451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32773 10400SOL OW32771 6.712 2.955 1.904 0.2623 0.3222 -0.4401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32774 10400SOL HW132772 6.646 2.921 1.971 -0.7196 -0.6835 -1.8407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32775 10400SOL HW232773 6.792 2.895 1.901 -0.3810 -0.5213 -1.2104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32776 10401SOL OW32774 0.099 3.262 2.819 -0.0781 -0.2042 -0.0433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32777 10401SOL HW132775 0.113 3.163 2.813 0.1924 -0.0949 -2.0636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32778 10401SOL HW232776 0.005 3.284 2.795 0.3275 0.1245 -1.4413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32779 10402SOL OW32777 5.948 2.922 3.783 0.2734 0.1704 -0.0233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32780 10402SOL HW132778 5.880 2.856 3.813 -1.8152 3.0762 2.2468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32781 10402SOL HW232779 6.028 2.916 3.843 1.1868 -1.8033 -1.3513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32782 10403SOL OW32780 5.502 3.034 2.530 -0.1986 0.3402 0.2109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32783 10403SOL HW132781 5.568 3.056 2.601 -0.2073 0.6849 0.1186
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32784 10403SOL HW232782 5.544 3.048 2.440 -0.4885 0.8711 0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32785 10404SOL OW32783 6.239 3.438 3.504 -0.3850 0.5246 -0.1068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32786 10404SOL HW132784 6.163 3.503 3.497 -1.1510 -0.3778 -0.2848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32787 10404SOL HW232785 6.204 3.347 3.527 0.4509 -0.3252 -1.9598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32788 10405SOL OW32786 6.891 1.742 3.239 -0.6659 0.5117 1.1067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32789 10405SOL HW132787 6.915 1.648 3.266 -1.1326 0.7354 2.3220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32790 10405SOL HW232788 6.930 1.760 3.149 -2.4796 -1.6400 -0.2427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32791 10406SOL OW32789 6.009 2.285 2.548 0.4035 0.2220 0.2508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32792 10406SOL HW132790 6.103 2.253 2.552 0.9082 1.2417 -1.7856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32793 10406SOL HW232791 5.953 2.218 2.498 -0.1930 -0.7545 2.1121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32794 10407SOL OW32792 5.926 2.476 3.147 -0.2881 0.5519 -0.1443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32795 10407SOL HW132793 5.962 2.383 3.143 1.8878 1.3180 -0.0021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32796 10407SOL HW232794 5.838 2.480 3.099 0.9485 -0.9764 -2.7573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32797 10408SOL OW32795 6.235 3.656 2.621 -0.4317 -0.0454 0.1827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32798 10408SOL HW132796 6.321 3.605 2.617 0.2665 1.0970 0.0447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32799 10408SOL HW232797 6.164 3.604 2.574 1.0231 0.5264 -2.9979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32800 10409SOL OW32798 7.157 2.141 2.796 0.2175 -0.0673 0.0964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32801 10409SOL HW132799 7.103 2.060 2.820 -1.4493 1.3157 1.2569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32802 10409SOL HW232800 7.099 2.222 2.801 2.2573 1.4312 0.7262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32803 10410SOL OW32801 6.638 1.747 3.012 -0.2042 0.2967 0.0530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32804 10410SOL HW132802 6.655 1.668 2.953 -0.7769 0.0315 0.2362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32805 10410SOL HW232803 6.701 1.744 3.090 0.3428 0.4794 -0.3717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32806 10411SOL OW32804 6.413 3.290 2.198 0.4202 0.0348 0.2564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32807 10411SOL HW132805 6.468 3.206 2.207 -0.3267 -0.5649 -0.5944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32808 10411SOL HW232806 6.452 3.361 2.256 0.9316 -0.9729 1.1965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32809 10412SOL OW32807 6.145 3.399 2.905 0.0063 0.0626 -0.7741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32810 10412SOL HW132808 6.109 3.477 2.957 0.0654 -0.8052 0.5961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32811 10412SOL HW232809 6.245 3.403 2.906 0.1269 -1.4366 1.6270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32812 10413SOL OW32810 6.807 1.912 2.103 -0.0944 0.7761 -0.6453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32813 10413SOL HW132811 6.723 1.967 2.109 -0.0045 0.8445 0.1414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32814 10413SOL HW232812 6.857 1.919 2.190 0.8258 0.8867 -1.1774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32815 10414SOL OW32813 6.806 2.409 2.434 0.2437 -0.1764 -0.1559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32816 10414SOL HW132814 6.756 2.494 2.452 -0.2345 -0.7038 1.0844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32817 10414SOL HW232815 6.795 2.346 2.511 1.6744 -0.8603 -0.4674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32818 10415SOL OW32816 7.056 2.341 2.508 -0.3355 -0.3403 0.4493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32819 10415SOL HW132817 7.038 2.314 2.603 -1.5452 -1.0722 0.0391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32820 10415SOL HW232818 6.969 2.354 2.461 0.2550 0.6713 -0.3913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32821 10416SOL OW32819 5.605 2.878 2.129 0.4775 0.0883 -0.0511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32822 10416SOL HW132820 5.549 2.842 2.055 -1.3318 -0.7792 1.6189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32823 10416SOL HW232821 5.671 2.809 2.158 -2.7111 -2.0938 2.8720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32824 10417SOL OW32822 6.494 3.581 2.080 0.0291 -0.4025 0.5940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32825 10417SOL HW132823 6.419 3.521 2.053 -0.4625 0.4545 0.0179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32826 10417SOL HW232824 6.553 3.599 2.001 0.7400 -0.9100 0.9963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32827 10418SOL OW32825 6.061 2.022 3.735 -0.2365 -0.4504 0.2991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32828 10418SOL HW132826 6.034 1.997 3.642 2.4966 -0.3773 -0.5874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32829 10418SOL HW232827 6.064 2.122 3.743 0.6815 -0.4549 0.0824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32830 10419SOL OW32828 5.729 2.036 4.647 -0.1735 0.6819 0.2423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32831 10419SOL HW132829 5.807 2.000 4.698 -2.1670 0.4415 3.4194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32832 10419SOL HW232830 5.686 1.962 4.596 0.4856 0.3870 0.0995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32833 10420SOL OW32831 6.138 3.096 4.941 -0.1890 0.0598 -0.5802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32834 10420SOL HW132832 6.129 3.195 4.957 -0.5956 -0.0169 -0.3120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32835 10420SOL HW232833 6.153 3.080 4.843 -1.9519 0.2999 -0.9400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32836 10421SOL OW32834 6.932 3.421 4.486 -0.3537 -0.1728 0.3963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32837 10421SOL HW132835 6.909 3.354 4.557 1.1689 -0.3005 0.8081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32838 10421SOL HW232836 6.915 3.381 4.396 -2.9045 0.2102 0.6325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32839 10422SOL OW32837 6.552 2.631 4.290 0.4868 0.3742 -0.0387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32840 10422SOL HW132838 6.633 2.682 4.319 0.2103 1.0596 -0.4644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32841 10422SOL HW232839 6.567 2.533 4.307 2.2802 0.2090 -2.0507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32842 10423SOL OW32840 7.237 2.628 3.862 -0.0881 -0.2579 -0.1316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32843 10423SOL HW132841 7.240 2.616 3.762 -1.9325 -0.8508 -0.1476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32844 10423SOL HW232842 7.235 2.538 3.906 -1.1063 -0.0145 0.3470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32845 10424SOL OW32843 6.429 2.792 4.854 -0.2919 -0.1997 -0.1554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32846 10424SOL HW132844 6.388 2.813 4.943 1.7927 -0.7117 0.9734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32847 10424SOL HW232845 6.449 2.878 4.806 -0.8288 0.0944 0.1330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32848 10425SOL OW32846 6.500 2.471 5.458 0.5559 -0.6272 0.5714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32849 10425SOL HW132847 6.497 2.521 5.544 -1.8975 -1.1606 0.8669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32850 10425SOL HW232848 6.478 2.532 5.382 -2.1879 -1.0675 0.9062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32851 10426SOL OW32849 6.200 2.835 4.243 -0.1120 -0.7004 -0.4199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32852 10426SOL HW132850 6.194 2.737 4.265 -0.5957 -0.6686 -0.3980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32853 10426SOL HW232851 6.132 2.885 4.296 0.7678 -0.2212 0.2755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32854 10427SOL OW32852 6.164 2.971 5.602 -0.1552 0.2292 -0.0478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32855 10427SOL HW132853 6.111 3.010 5.677 -1.0527 -0.1535 -0.4727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32856 10427SOL HW232854 6.112 2.978 5.517 0.4554 -0.2037 -0.4664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32857 10428SOL OW32855 5.754 3.283 4.756 0.5350 0.2296 -0.1332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32858 10428SOL HW132856 5.800 3.197 4.779 -3.0752 -1.6633 0.8023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32859 10428SOL HW232857 5.746 3.339 4.838 3.6129 2.0148 -0.9024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32860 10429SOL OW32858 7.027 3.374 5.053 0.5545 0.3679 -0.3540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32861 10429SOL HW132859 7.083 3.293 5.066 -0.8883 -0.7190 -0.6651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32862 10429SOL HW232860 7.014 3.421 5.141 1.7909 0.5558 -0.2587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32863 10430SOL OW32861 5.936 2.372 4.977 0.1551 0.6635 0.2092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32864 10430SOL HW132862 5.972 2.393 5.067 0.0464 0.9221 0.1950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32865 10430SOL HW232863 5.842 2.405 4.970 0.9246 2.8688 -0.7935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32866 10431SOL OW32864 5.695 3.493 4.175 0.5855 0.0425 0.2387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32867 10431SOL HW132865 5.660 3.583 4.201 -0.1834 -0.3474 0.6111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32868 10431SOL HW232866 5.762 3.502 4.102 0.7239 0.9378 0.4706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32869 10432SOL OW32867 6.737 3.290 5.232 0.1668 0.2247 -0.0766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32870 10432SOL HW132868 6.739 3.375 5.284 -0.7203 -0.4240 1.0778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32871 10432SOL HW232869 6.645 3.276 5.195 0.6589 0.4349 -1.4652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32872 10433SOL OW32870 5.783 3.422 4.485 0.0689 -0.6561 0.4879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32873 10433SOL HW132871 5.766 3.404 4.582 0.3154 0.5472 0.7675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32874 10433SOL HW232872 5.765 3.518 4.465 0.7088 -0.7269 -0.5136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32875 10434SOL OW32873 5.897 3.053 4.853 0.2830 0.1297 -0.1124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32876 10434SOL HW132874 5.897 2.957 4.824 1.5461 0.5162 -1.5343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32877 10434SOL HW232875 5.978 3.070 4.909 0.2589 0.4438 -0.1744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32878 10435SOL OW32876 6.023 3.609 5.042 0.4405 0.3263 -0.1624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32879 10435SOL HW132877 5.970 3.587 5.123 -0.2990 1.3290 -0.3566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32880 10435SOL HW232878 6.096 3.673 5.065 1.8209 -1.2849 0.1655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32881 10436SOL OW32879 6.203 2.745 3.728 -0.3887 0.7398 -0.1328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32882 10436SOL HW132880 6.239 2.837 3.712 -0.9878 1.1068 0.5409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32883 10436SOL HW232881 6.103 2.748 3.726 -0.4400 0.3188 0.9179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32884 10437SOL OW32882 7.148 2.227 5.000 0.3941 -0.3520 0.5136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32885 10437SOL HW132883 7.147 2.129 4.980 -2.8416 -0.5886 1.2523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32886 10437SOL HW232884 7.189 2.277 4.924 -0.4130 -2.0875 -1.1271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32887 10438SOL OW32885 5.692 2.454 4.283 -0.1876 0.0521 -0.3690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32888 10438SOL HW132886 5.728 2.380 4.340 -0.4735 0.4821 0.3820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32889 10438SOL HW232887 5.694 2.540 4.335 0.9171 0.7495 -1.5005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32890 10439SOL OW32888 5.470 3.452 3.972 -0.3627 -0.6300 -0.0419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32891 10439SOL HW132889 5.548 3.405 3.932 0.4718 2.1456 -1.9824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32892 10439SOL HW232890 5.488 3.471 4.068 1.0729 -0.5886 -0.3052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32893 10440SOL OW32891 7.170 3.019 4.151 0.2279 0.3807 0.3585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32894 10440SOL HW132892 7.226 3.010 4.233 1.1283 0.1151 -0.2671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32895 10440SOL HW232893 7.207 2.960 4.079 -2.1564 -1.5509 0.5828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32896 10441SOL OW32894 5.602 2.450 5.041 0.1237 -0.9596 0.9219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32897 10441SOL HW132895 5.613 2.510 4.961 1.1030 -3.0308 -0.6283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32898 10441SOL HW232896 5.539 2.491 5.106 0.5861 1.6049 -0.1329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32899 10442SOL OW32897 6.031 3.320 4.510 -0.9709 -0.0178 0.2031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32900 10442SOL HW132898 6.084 3.365 4.439 0.7759 -0.6012 1.0800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32901 10442SOL HW232899 5.934 3.317 4.483 -0.5605 0.9606 -1.4984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32902 10443SOL OW32900 6.673 2.955 5.116 0.1631 -0.4028 0.3780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32903 10443SOL HW132901 6.699 2.928 5.023 -0.0371 1.1115 -0.1424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32904 10443SOL HW232902 6.753 2.993 5.163 -0.8586 4.9876 -1.4820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32905 10444SOL OW32903 6.509 1.794 3.914 0.4702 0.4607 -0.8115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32906 10444SOL HW132904 6.551 1.880 3.941 -0.2925 0.8206 -0.7321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32907 10444SOL HW232905 6.429 1.813 3.857 -1.7539 0.0201 1.9195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32908 10445SOL OW32906 5.917 2.656 5.131 0.4693 -0.2753 0.1684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32909 10445SOL HW132907 5.985 2.664 5.057 0.8269 -0.2224 0.4984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32910 10445SOL HW232908 5.884 2.747 5.156 1.9222 -0.0754 1.5116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32911 10446SOL OW32909 7.048 3.228 3.710 -0.6163 0.5470 -0.5825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32912 10446SOL HW132910 7.043 3.222 3.810 -1.0753 0.4381 -0.6099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32913 10446SOL HW232911 7.141 3.210 3.680 -0.1729 1.8613 -0.0795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32914 10447SOL OW32912 6.659 3.672 5.441 0.0731 -0.2303 0.0501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32915 10447SOL HW132913 6.594 3.743 5.414 0.3808 -0.5520 -1.6536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32916 10447SOL HW232914 6.622 3.582 5.418 0.6418 -0.4802 0.0794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32917 10448SOL OW32915 5.791 2.064 5.571 -0.8023 0.2666 -0.3533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32918 10448SOL HW132916 5.835 2.144 5.612 1.3803 -1.6373 1.2585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32919 10448SOL HW232917 5.769 2.085 5.475 3.5841 1.5125 -1.3069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32920 10449SOL OW32918 6.808 3.209 4.642 0.5557 0.0086 0.6816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32921 10449SOL HW132919 6.827 3.172 4.733 0.6824 -0.6555 0.3883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32922 10449SOL HW232920 6.816 3.137 4.574 -1.2642 0.0938 0.3252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32923 10450SOL OW32921 0.142 3.719 4.212 0.4063 0.6488 -0.2064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32924 10450SOL HW132922 0.074 3.695 4.143 1.0550 0.2939 -0.7321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32925 10450SOL HW232923 0.221 3.659 4.203 1.0709 1.4785 -0.0290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32926 10451SOL OW32924 6.346 2.525 3.697 0.2341 -0.1858 -0.2051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32927 10451SOL HW132925 6.425 2.554 3.643 -1.0310 1.9805 -1.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32928 10451SOL HW232926 6.290 2.605 3.720 -0.9597 -1.4598 1.6242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32929 10452SOL OW32927 6.842 2.193 4.666 -0.2150 0.4731 1.1465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32930 10452SOL HW132928 6.752 2.157 4.639 0.0391 0.3705 0.4450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32931 10452SOL HW232929 6.832 2.243 4.752 -1.3461 2.2236 0.0504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32932 10453SOL OW32930 7.242 3.603 3.993 -0.3327 -0.2090 -0.2993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32933 10453SOL HW132931 7.146 3.617 3.967 -1.0950 -1.2556 1.6778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32934 10453SOL HW232932 7.256 3.506 4.011 0.7109 0.1456 0.8469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32935 10454SOL OW32933 6.287 2.454 5.030 -0.1826 0.2430 0.2177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32936 10454SOL HW132934 6.252 2.411 5.114 -2.9409 1.5430 -0.1632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32937 10454SOL HW232935 6.326 2.383 4.971 0.5096 -0.8963 1.9405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32938 10455SOL OW32936 6.900 2.399 5.374 0.1049 -0.1491 -0.3857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32939 10455SOL HW132937 6.919 2.405 5.472 0.3684 0.4137 -0.4644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32940 10455SOL HW232938 6.969 2.340 5.330 -1.2084 -2.1027 0.0671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32941 10456SOL OW32939 6.454 2.875 5.268 -0.4283 0.5426 0.3633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32942 10456SOL HW132940 6.455 2.775 5.265 -0.0415 0.5531 0.1259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32943 10456SOL HW232941 6.539 2.910 5.231 -0.7340 0.9703 0.0631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32944 10457SOL OW32942 6.526 2.394 4.721 -0.4169 0.1748 -0.4973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32945 10457SOL HW132943 6.475 2.450 4.655 -1.1062 -0.3904 -0.4627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32946 10457SOL HW232944 6.515 2.297 4.697 1.7983 0.0745 -1.3215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32947 10458SOL OW32945 6.458 2.672 4.045 -0.6659 -0.3128 0.9585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32948 10458SOL HW132946 6.486 2.652 4.139 1.7456 -1.7859 0.0368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32949 10458SOL HW232947 6.423 2.589 4.002 -1.7205 0.3368 0.5320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32950 10459SOL OW32948 5.718 2.694 4.412 -0.3437 0.3671 -0.0786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32951 10459SOL HW132949 5.811 2.673 4.380 -0.0807 -0.3746 1.1022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32952 10459SOL HW232950 5.724 2.753 4.493 -0.9467 1.1907 -0.6275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32953 10460SOL OW32951 5.630 3.621 5.274 0.4402 -0.4594 0.1674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32954 10460SOL HW132952 5.590 3.586 5.359 2.2648 0.6710 1.5427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32955 10460SOL HW232953 5.563 3.612 5.200 -1.6636 -0.3612 1.9602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32956 10461SOL OW32954 6.423 2.106 3.747 0.6027 0.4647 -0.9155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32957 10461SOL HW132955 6.522 2.103 3.732 0.5834 -1.3807 -0.9236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32958 10461SOL HW232956 6.389 2.013 3.764 -1.0337 1.1459 -0.2306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32959 10462SOL OW32957 7.196 2.713 5.354 -0.4261 0.2446 -1.0792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32960 10462SOL HW132958 7.234 2.783 5.414 0.1324 -0.9696 0.0302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32961 10462SOL HW232959 7.107 2.744 5.319 -0.4089 1.3076 -0.2349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32962 10463SOL OW32960 6.913 3.018 4.247 0.0095 0.1688 -0.2625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32963 10463SOL HW132961 7.001 2.989 4.211 0.4730 -1.2681 1.8150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32964 10463SOL HW232962 6.912 3.118 4.258 1.0501 0.2813 -1.0386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32965 10464SOL OW32963 6.135 2.074 4.610 -0.2767 -0.3814 0.1722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32966 10464SOL HW132964 6.148 2.133 4.690 0.8656 -1.5583 0.8984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32967 10464SOL HW232965 6.216 2.079 4.551 -0.4207 -0.7686 -0.0626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32968 10465SOL OW32966 6.573 3.390 4.282 -0.3519 -0.1656 -0.1083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32969 10465SOL HW132967 6.513 3.417 4.207 -0.4810 -0.2704 -0.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32970 10465SOL HW232968 6.518 3.373 4.364 -0.0866 1.4266 0.4375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32971 10466SOL OW32969 6.033 3.673 4.349 0.6170 0.1824 -0.2459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32972 10466SOL HW132970 6.063 3.672 4.445 0.4173 -0.8968 -0.1853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32973 10466SOL HW232971 6.086 3.608 4.296 2.6650 2.6916 -1.5284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32974 10467SOL OW32972 7.078 3.029 4.620 0.2283 -0.3590 -0.4035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32975 10467SOL HW132973 6.990 3.007 4.579 0.1169 0.1211 -0.4344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32976 10467SOL HW232974 7.072 3.023 4.720 0.0455 0.0549 -0.3848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32977 10468SOL OW32975 6.538 3.430 5.379 -0.7892 -0.5854 0.0607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32978 10468SOL HW132976 6.488 3.344 5.383 -2.9083 0.6352 2.0241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32979 10468SOL HW232977 6.494 3.492 5.314 -0.5644 -0.2073 0.2661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32980 10469SOL OW32978 5.821 2.783 4.035 -0.3252 0.4049 0.3357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32981 10469SOL HW132979 5.911 2.816 4.065 -0.5535 0.3158 1.1493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32982 10469SOL HW232980 5.811 2.687 4.059 -0.5670 0.3676 0.0859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32983 10470SOL OW32981 7.073 2.437 4.517 0.0131 -0.1835 0.0076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32984 10470SOL HW132982 7.024 2.446 4.604 2.3298 -0.7803 1.4588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32985 10470SOL HW232983 7.168 2.467 4.529 1.2950 -3.3270 -1.4169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32986 10471SOL OW32984 5.990 3.132 5.393 0.1709 0.1392 -0.3037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32987 10471SOL HW132985 5.940 3.073 5.330 -0.4576 0.6363 -0.2887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32988 10471SOL HW232986 5.926 3.194 5.438 0.5378 -0.5449 1.2127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32989 10472SOL OW32987 6.617 3.661 3.999 0.0267 -0.6750 -0.4928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32990 10472SOL HW132988 6.712 3.692 4.008 0.2060 -1.2155 -0.5064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32991 10472SOL HW232989 6.616 3.568 3.964 -0.4522 -1.2508 0.9810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32992 10473SOL OW32990 5.796 1.927 5.227 0.0637 -0.3655 0.7445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32993 10473SOL HW132991 5.759 2.019 5.238 -0.2409 -0.6012 1.7150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32994 10473SOL HW232992 5.740 1.862 5.278 0.0029 -1.1639 -0.3009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32995 10474SOL OW32993 5.857 3.532 3.966 0.1657 -0.4485 -0.2163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32996 10474SOL HW132994 5.919 3.597 4.010 1.4524 -1.2090 -0.8524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32997 10474SOL HW232995 5.908 3.475 3.901 -1.0353 -1.6874 -0.1328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32998 10475SOL OW32996 6.993 2.057 3.931 -0.3512 0.3194 0.1914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
32999 10475SOL HW132997 6.974 1.972 3.882 -2.7719 1.1747 -0.5324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33000 10475SOL HW232998 6.981 2.043 4.029 2.4736 -0.8990 0.4345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33001 10476SOL OW32999 5.974 3.707 4.761 -0.0382 0.2752 -0.7359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33002 10476SOL HW133000 5.984 3.669 4.853 -3.2240 -0.3035 -0.5224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33003 10476SOL HW233001 6.044 3.669 4.701 1.1884 -0.4693 1.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33004 10477SOL OW33002 6.373 3.398 4.441 -0.4763 0.1724 0.0526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33005 10477SOL HW133003 6.347 3.444 4.526 0.1035 0.7578 -0.0882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33006 10477SOL HW233004 6.308 3.423 4.369 -1.1827 -0.6048 0.3940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33007 10478SOL OW33005 5.877 2.504 4.073 -0.2127 0.2468 -0.1323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33008 10478SOL HW133006 5.963 2.458 4.050 -1.1822 -1.7356 -0.0305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33009 10478SOL HW233007 5.831 2.453 4.146 -2.0024 0.6130 -0.9579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33010 10479SOL OW33008 7.101 2.234 5.250 -0.0967 -0.0137 -0.4957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33011 10479SOL HW133009 7.103 2.142 5.288 1.7534 -0.1761 -0.8880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33012 10479SOL HW233010 7.121 2.231 5.153 -2.7552 0.5976 -1.1556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33013 10480SOL OW33011 6.287 1.862 3.741 -0.5138 0.0110 0.2771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33014 10480SOL HW133012 6.248 1.770 3.734 0.1551 -0.3672 1.3552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33015 10480SOL HW233013 6.213 1.928 3.756 -0.8799 -0.5275 0.8911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33016 10481SOL OW33014 6.300 2.092 5.389 -1.0910 -0.0038 -0.2446
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33017 10481SOL HW133015 6.359 2.126 5.462 -1.7212 -1.4245 0.9954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33018 10481SOL HW233016 6.356 2.054 5.316 -0.4328 -0.8890 0.6893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33019 10482SOL OW33017 6.550 3.455 4.974 0.1672 0.4107 -0.5374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33020 10482SOL HW133018 6.624 3.472 4.909 -0.6652 -0.1653 -1.6738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33021 10482SOL HW233019 6.558 3.364 5.012 0.2675 0.4929 -0.3630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33022 10483SOL OW33020 6.730 2.504 5.181 -0.2741 0.2728 -0.5074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33023 10483SOL HW133021 6.765 2.457 5.262 -1.2110 -0.3571 -0.4448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33024 10483SOL HW233022 6.804 2.552 5.135 0.6920 -1.0989 -0.4492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33025 10484SOL OW33023 6.185 3.134 4.665 0.2994 -0.0803 -0.1085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33026 10484SOL HW133024 6.272 3.123 4.617 0.9185 0.6754 0.7850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33027 10484SOL HW233025 6.116 3.167 4.601 0.9125 0.1966 -0.6455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33028 10485SOL OW33026 6.281 2.144 4.328 -0.0840 0.2716 0.2882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33029 10485SOL HW133027 6.203 2.103 4.280 0.3354 1.4595 -1.4821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33030 10485SOL HW233028 6.366 2.123 4.279 0.7147 -0.6911 1.9852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33031 10486SOL OW33029 6.107 2.095 4.107 -0.3355 -0.8498 -0.3749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33032 10486SOL HW133030 6.171 2.158 4.065 -1.8119 0.0051 -1.4541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33033 10486SOL HW233031 6.094 2.016 4.048 -0.2330 -1.0523 -0.1286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33034 10487SOL OW33032 6.902 3.469 3.683 0.1476 0.0976 0.3834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33035 10487SOL HW133033 6.970 3.395 3.683 0.2864 0.2250 -0.4873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33036 10487SOL HW233034 6.833 3.449 3.753 0.3940 -0.6641 0.4254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33037 10488SOL OW33035 5.863 1.643 4.148 0.1792 -0.0638 0.1799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33038 10488SOL HW133036 5.857 1.742 4.161 -1.0295 -0.2827 1.6417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33039 10488SOL HW233037 5.955 1.618 4.119 0.7301 1.4007 0.5824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33040 10489SOL OW33038 6.643 2.022 3.989 0.6673 0.4278 0.2096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33041 10489SOL HW133039 6.711 1.990 4.055 3.1398 2.6660 -1.0736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33042 10489SOL HW233040 6.687 2.041 3.901 -1.7893 1.2698 -0.9453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33043 10490SOL OW33041 6.501 2.614 5.219 -0.4287 0.2130 -0.0423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33044 10490SOL HW133042 6.442 2.580 5.146 -2.0633 -1.0213 1.7285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33045 10490SOL HW233043 6.595 2.584 5.203 -0.8870 -0.6332 -1.2593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33046 10491SOL OW33044 6.716 3.455 4.733 -0.2673 0.5795 -0.1276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33047 10491SOL HW133045 6.770 3.508 4.668 0.9518 -1.0301 -0.5028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33048 10491SOL HW233046 6.726 3.358 4.713 -1.5567 0.1409 1.1906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33049 10492SOL OW33047 6.000 3.061 4.295 -0.5772 0.1284 -0.1505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33050 10492SOL HW133048 5.975 2.994 4.365 -1.8162 0.2071 -0.4984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33051 10492SOL HW233049 5.928 3.130 4.288 -1.5974 -1.0624 -2.9910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33052 10493SOL OW33050 6.971 3.795 4.272 -0.2183 -0.0757 0.4580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33053 10493SOL HW133051 7.053 3.776 4.327 0.6585 0.2525 -0.7091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33054 10493SOL HW233052 6.899 3.831 4.332 0.8850 0.7685 1.3147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33055 10494SOL OW33053 6.645 2.379 3.530 0.1094 0.2270 0.0465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33056 10494SOL HW133054 6.602 2.467 3.513 0.6978 0.7978 1.3479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33057 10494SOL HW233055 6.734 2.393 3.574 0.2207 -1.0144 0.2677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33058 10495SOL OW33056 5.524 2.167 5.001 -0.3918 0.2183 0.2725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33059 10495SOL HW133057 5.592 2.093 5.005 -1.1281 -0.6817 -2.0161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33060 10495SOL HW233058 5.567 2.253 5.027 0.8196 -0.7835 1.7956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33061 10496SOL OW33059 6.120 2.226 4.854 -0.4502 -0.1985 0.1276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33062 10496SOL HW133060 6.131 2.301 4.790 1.0090 1.0003 1.6924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33063 10496SOL HW233061 6.048 2.248 4.920 1.7534 1.2089 2.2652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33064 10497SOL OW33062 6.465 2.185 4.132 0.5272 0.5835 0.4162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33065 10497SOL HW133063 6.465 2.267 4.076 -2.3664 0.0698 -0.5084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33066 10497SOL HW233064 6.517 2.113 4.086 -0.6483 0.5893 -1.0031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33067 10498SOL OW33065 6.693 2.056 4.357 0.2200 -0.4789 0.0115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33068 10498SOL HW133066 6.745 2.138 4.384 1.4409 -1.1533 -0.2004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33069 10498SOL HW233067 6.741 2.010 4.282 -0.7677 -1.0690 -0.2684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33070 10499SOL OW33068 6.828 2.950 4.533 0.6317 0.0224 0.0118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33071 10499SOL HW133069 6.818 2.863 4.582 2.1176 0.2370 0.7227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33072 10499SOL HW233070 6.825 2.932 4.434 -1.0756 -0.5650 0.1341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33073 10500SOL OW33071 6.993 2.480 4.773 -0.2370 0.2563 0.4487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33074 10500SOL HW133072 6.929 2.428 4.829 0.2780 -0.1846 0.6374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33075 10500SOL HW233073 7.076 2.499 4.825 0.2930 -0.2512 -0.1835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33076 10501SOL OW33074 0.056 2.854 4.002 0.1249 -0.0945 -0.1137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33077 10501SOL HW133075 0.117 2.840 4.079 0.1949 -0.5327 -0.2493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33078 10501SOL HW233076 0.019 2.766 3.971 1.2391 -0.1061 -1.5114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33079 10502SOL OW33077 6.013 3.370 3.792 0.1074 -0.9446 -0.6674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33080 10502SOL HW133078 6.002 3.301 3.721 -0.9583 -0.8332 -0.6298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33081 10502SOL HW233079 6.097 3.422 3.776 1.0188 -2.3384 -0.6037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33082 10503SOL OW33080 6.916 2.623 3.832 -0.4203 0.5384 -0.0824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33083 10503SOL HW133081 6.880 2.580 3.915 -0.2690 2.2928 0.9543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33084 10503SOL HW233082 7.015 2.627 3.837 -0.2918 -0.8704 -1.1648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33085 10504SOL OW33083 5.983 1.878 3.961 -0.6662 -0.0509 0.1156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33086 10504SOL HW133084 6.012 1.783 3.952 1.1123 0.4554 0.0069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33087 10504SOL HW233085 5.995 1.925 3.873 0.8360 0.8384 0.7430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33088 10505SOL OW33086 6.549 3.190 5.060 -0.4112 0.5305 0.6366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33089 10505SOL HW133087 6.453 3.208 5.081 -0.0919 0.9194 1.7902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33090 10505SOL HW233088 6.572 3.096 5.087 -0.4764 0.4091 0.2839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33091 10506SOL OW33089 7.143 3.181 5.351 0.0908 -0.3416 -0.3704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33092 10506SOL HW133090 7.210 3.224 5.291 0.1930 0.9963 0.6507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33093 10506SOL HW233091 7.127 3.240 5.430 -3.7614 0.3613 -1.5087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33094 10507SOL OW33092 6.521 3.011 4.745 -0.6457 0.0302 0.0290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33095 10507SOL HW133093 6.556 3.087 4.800 0.7683 -1.1814 0.9125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33096 10507SOL HW233094 6.485 3.045 4.659 0.8973 1.6061 -0.0467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33097 10508SOL OW33095 7.042 3.066 4.891 -0.6948 0.0351 0.2939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33098 10508SOL HW133096 7.128 3.115 4.903 -0.7859 0.4762 -0.7766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33099 10508SOL HW233097 6.968 3.117 4.936 -0.2310 -1.0082 2.3817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33100 10509SOL OW33098 6.415 2.078 5.061 0.6311 0.1544 0.6624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33101 10509SOL HW133099 6.451 2.029 4.982 -0.3786 0.6890 -0.1554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33102 10509SOL HW233100 6.470 2.160 5.077 0.9493 -0.0507 0.6427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33103 10510SOL OW33101 6.431 2.921 5.532 -0.6898 0.3620 0.4054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33104 10510SOL HW133102 6.337 2.930 5.563 -0.7780 -1.4866 0.7943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33105 10510SOL HW233103 6.432 2.903 5.433 -0.9583 -1.9695 0.7581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33106 10511SOL OW33104 6.135 2.858 3.978 -0.6309 0.1082 -0.9292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33107 10511SOL HW133105 6.179 2.868 4.067 0.1922 -1.3254 -1.1470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33108 10511SOL HW233106 6.197 2.810 3.915 -2.1171 -1.1060 -1.5395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33109 10512SOL OW33107 5.943 2.790 4.759 -0.3947 0.2640 0.3065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33110 10512SOL HW133108 6.008 2.782 4.835 -0.0097 1.2934 0.1066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33111 10512SOL HW233109 5.867 2.727 4.774 -1.1095 1.5089 2.3539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33112 10513SOL OW33110 6.566 2.268 5.144 -0.3874 -0.0974 0.4679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33113 10513SOL HW133111 6.620 2.218 5.211 -0.7508 -1.1642 -0.0085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33114 10513SOL HW233112 6.584 2.366 5.153 2.2427 -0.4448 -0.2072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33115 10514SOL OW33113 5.518 3.431 4.960 0.4394 0.4409 0.5168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33116 10514SOL HW133114 5.467 3.451 4.876 0.0928 -1.8978 0.1049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33117 10514SOL HW233115 5.612 3.467 4.951 0.3486 0.3982 -0.7833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33118 10515SOL OW33116 5.808 3.240 4.255 -0.0456 0.2405 0.0942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33119 10515SOL HW133117 5.768 3.316 4.306 1.6729 1.1254 0.1800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33120 10515SOL HW233118 5.862 3.275 4.178 1.9665 -0.7509 0.9717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33121 10516SOL OW33119 5.967 2.247 4.288 -0.0597 0.1568 0.4632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33122 10516SOL HW133120 6.027 2.306 4.342 0.7165 -0.7428 0.6097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33123 10516SOL HW233121 6.023 2.193 4.224 -0.9013 0.7436 -0.8012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33124 10517SOL OW33122 6.827 3.299 4.233 0.0085 0.3783 -0.0272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33125 10517SOL HW133123 6.867 3.376 4.184 0.0189 1.1161 1.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33126 10517SOL HW233124 6.734 3.322 4.261 -0.2720 -0.3243 -0.3443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33127 10518SOL OW33125 6.823 3.227 4.934 -0.1354 -0.1121 -0.0102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33128 10518SOL HW133126 6.864 3.300 4.988 1.1355 -0.0807 -0.9676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33129 10518SOL HW233127 6.734 3.203 4.973 -0.2349 1.3929 0.7818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33130 10519SOL OW33128 7.038 2.469 4.268 0.3150 0.2622 0.5053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33131 10519SOL HW133129 6.979 2.534 4.221 -0.6004 -0.5922 0.4474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33132 10519SOL HW233130 7.039 2.489 4.366 0.2388 0.5188 0.4543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33133 10520SOL OW33131 5.783 3.460 4.957 0.7175 0.9536 0.1864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33134 10520SOL HW133132 5.857 3.524 4.977 2.2836 -1.1058 1.4362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33135 10520SOL HW233133 5.784 3.385 5.024 -1.4737 -0.0305 -0.7577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33136 10521SOL OW33134 6.032 2.437 5.220 0.0317 -0.0865 -0.0255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33137 10521SOL HW133135 6.017 2.534 5.207 0.9091 -0.0376 -0.8088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33138 10521SOL HW233136 6.121 2.423 5.264 1.1551 -0.6073 -2.3436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33139 10522SOL OW33137 0.028 2.981 5.488 0.1204 -0.1714 0.1568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33140 10522SOL HW133138 0.101 3.038 5.526 0.3040 0.1036 -0.5868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33141 10522SOL HW233139 -0.022 3.034 5.419 -0.0825 -0.7169 -0.1134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33142 10523SOL OW33140 6.448 1.802 5.587 0.0615 0.0761 -0.2427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33143 10523SOL HW133141 6.513 1.758 5.648 0.3780 -0.3057 -0.8472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33144 10523SOL HW233142 6.491 1.819 5.498 -0.8340 -0.7577 -0.8623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33145 10524SOL OW33143 5.996 1.896 5.408 0.2895 0.4220 0.1568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33146 10524SOL HW133144 5.922 1.945 5.363 -0.1663 0.7071 1.1882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33147 10524SOL HW233145 5.963 1.856 5.493 0.9472 -0.7214 -0.1006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33148 10525SOL OW33146 6.231 2.690 4.669 0.0968 -0.0959 -0.3461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33149 10525SOL HW133147 6.314 2.712 4.720 -1.2391 -0.4376 2.1381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33150 10525SOL HW233148 6.162 2.760 4.686 -0.9654 -1.1326 -0.2717
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33151 10526SOL OW33149 6.826 2.731 4.697 -0.4515 0.0713 0.1194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33152 10526SOL HW133150 6.738 2.697 4.729 0.1674 -2.0332 -0.2737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33153 10526SOL HW233151 6.897 2.663 4.715 0.9492 1.3401 -0.3818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33154 10527SOL OW33152 6.766 2.550 4.084 0.0621 0.9209 -0.0783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33155 10527SOL HW133153 6.765 2.451 4.093 2.7311 0.7544 -0.6292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33156 10527SOL HW233154 6.673 2.584 4.074 -0.9409 -1.4691 0.5121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33157 10528SOL OW33155 5.698 1.974 4.982 0.5631 0.2062 -0.0162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33158 10528SOL HW133156 5.740 1.943 5.068 1.0750 1.6445 0.2840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33159 10528SOL HW233157 5.769 1.990 4.914 0.1130 -1.5019 -0.9445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33160 10529SOL OW33158 5.472 3.085 5.000 -0.2517 -0.2849 0.0409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33161 10529SOL HW133159 5.418 3.064 5.082 -0.1402 -0.8580 -0.0269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33162 10529SOL HW233160 5.478 3.184 4.989 0.2695 -0.1819 1.0860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33163 10530SOL OW33161 6.160 2.379 4.410 -0.2560 0.1515 -0.1831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33164 10530SOL HW133162 6.213 2.297 4.388 -1.3010 -0.7936 0.7095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33165 10530SOL HW233163 6.220 2.458 4.410 0.7124 -0.5338 -1.4556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33166 10531SOL OW33164 7.186 2.414 4.031 0.6859 -0.2792 -0.0028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33167 10531SOL HW133165 7.267 2.356 4.039 0.6695 -0.6145 -1.9184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33168 10531SOL HW233166 7.132 2.407 4.115 2.2216 -0.6506 1.0045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33169 10532SOL OW33167 6.578 2.370 4.310 0.1899 0.0555 -0.0657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33170 10532SOL HW133168 6.676 2.351 4.317 0.8409 2.7672 -0.5839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33171 10532SOL HW233169 6.530 2.289 4.278 2.5254 -0.8172 -1.5622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33172 10533SOL OW33170 6.258 3.534 5.433 -0.5271 0.0919 0.0145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33173 10533SOL HW133171 6.284 3.565 5.341 1.1360 2.0814 1.0757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33174 10533SOL HW233172 6.250 3.434 5.433 -0.5276 0.0340 -2.2670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33175 10534SOL OW33173 5.836 2.656 5.389 -0.2639 -0.0857 -0.3945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33176 10534SOL HW133174 5.821 2.582 5.455 1.5452 0.9202 1.2653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33177 10534SOL HW233175 5.865 2.618 5.301 0.5549 -1.3824 0.4032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33178 10535SOL OW33176 7.072 2.281 3.824 0.4516 -0.1954 -0.6025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33179 10535SOL HW133177 7.046 2.191 3.860 -0.6335 0.5200 0.5040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33180 10535SOL HW233178 7.114 2.335 3.896 0.0961 0.5638 -0.9459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33181 10536SOL OW33179 6.766 2.806 3.679 -0.6009 -0.3530 0.4920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33182 10536SOL HW133180 6.823 2.755 3.743 0.5211 -0.4988 -0.5767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33183 10536SOL HW233181 6.809 2.893 3.658 -0.9378 -0.3136 -0.0701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33184 10537SOL OW33182 6.418 3.126 4.503 -0.1683 -0.2014 0.2668
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33185 10537SOL HW133183 6.439 3.088 4.414 0.9606 1.2525 -0.1343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33186 10537SOL HW233184 6.407 3.226 4.495 0.7619 0.0663 1.8541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33187 10538SOL OW33185 5.978 2.856 4.476 -0.2745 -0.4487 -0.4616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33188 10538SOL HW133186 5.976 2.772 4.422 1.8246 -0.9819 0.1779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33189 10538SOL HW233187 5.958 2.834 4.572 -0.6761 -0.0570 -0.4551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33190 10539SOL OW33188 5.622 2.292 4.643 0.2509 0.0564 -0.0808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33191 10539SOL HW133189 5.605 2.315 4.547 -3.5600 0.2822 0.4854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33192 10539SOL HW233190 5.628 2.192 4.652 -0.9105 -0.0631 -0.4218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33193 10540SOL OW33191 6.727 2.169 5.331 -0.2767 -0.0962 -0.5431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33194 10540SOL HW133192 6.722 2.119 5.418 -1.5151 1.0734 0.0872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33195 10540SOL HW233193 6.771 2.258 5.346 -1.3235 0.4963 -0.9090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33196 10541SOL OW33194 6.789 1.915 5.215 -0.1756 0.4233 0.1241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33197 10541SOL HW133195 6.780 2.014 5.232 1.2572 0.6159 -0.0878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33198 10541SOL HW233196 6.777 1.897 5.118 0.7355 0.5616 -0.0227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33199 10542SOL OW33197 5.493 3.026 3.710 -0.3682 1.1767 -0.1485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33200 10542SOL HW133198 5.533 2.960 3.647 1.5890 2.2162 -0.0755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33201 10542SOL HW233199 5.496 2.990 3.803 -1.0345 0.6210 -0.3395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33202 10543SOL OW33200 5.462 3.648 4.568 0.2102 -0.0499 -0.1994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33203 10543SOL HW133201 5.423 3.568 4.523 -0.5668 0.5704 -0.6380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33204 10543SOL HW233202 5.558 3.658 4.539 0.2251 -0.6389 -0.3774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33205 10544SOL OW33203 6.146 3.567 4.633 0.3460 0.3827 0.4358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33206 10544SOL HW133204 6.225 3.566 4.694 0.4895 -0.8671 0.2746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33207 10544SOL HW233205 6.108 3.474 4.628 -1.2927 1.0116 0.7061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33208 10545SOL OW33206 6.645 2.622 4.848 0.4419 0.0740 -0.0814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33209 10545SOL HW133207 6.612 2.545 4.793 1.9526 0.2299 -1.2856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33210 10545SOL HW233208 6.568 2.678 4.877 -0.4860 -0.6088 -1.1640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33211 10546SOL OW33209 5.658 2.637 4.840 -0.0294 -0.1578 -0.0726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33212 10546SOL HW133210 5.604 2.684 4.771 -1.7450 -1.7694 0.1024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33213 10546SOL HW233211 5.719 2.572 4.796 0.2413 0.1507 -0.1574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33214 10547SOL OW33212 5.768 2.366 5.256 0.2073 0.0558 1.0181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33215 10547SOL HW133213 5.862 2.387 5.230 0.5431 -0.4661 1.7613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33216 10547SOL HW233214 5.705 2.407 5.190 1.0004 -1.0705 -0.5285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33217 10548SOL OW33215 6.919 2.799 5.273 -0.6016 -0.6554 0.3181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33218 10548SOL HW133216 6.902 2.897 5.280 -0.2330 -0.6247 0.8669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33219 10548SOL HW233217 6.899 2.768 5.180 1.9659 0.5004 -0.7343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33220 10549SOL OW33218 6.464 2.346 3.896 -0.5332 -0.1316 0.5191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33221 10549SOL HW133219 6.423 2.263 3.858 1.6533 -0.6650 -0.8396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33222 10549SOL HW233220 6.439 2.424 3.838 -1.3922 -0.0668 0.9612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33223 10550SOL OW33221 5.629 3.274 5.350 -0.0633 -0.4529 0.6029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33224 10550SOL HW133222 5.620 3.355 5.408 3.0561 -1.3485 2.5730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33225 10550SOL HW233223 5.579 3.198 5.392 0.4963 -0.5923 1.0181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33226 10551SOL OW33224 6.152 2.420 4.676 -0.6592 -0.3388 -0.1469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33227 10551SOL HW133225 6.165 2.518 4.695 1.4757 -0.6477 0.3631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33228 10551SOL HW233226 6.138 2.406 4.578 -2.1432 0.5451 -0.0885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33229 10552SOL OW33227 6.442 3.586 5.179 0.2334 -0.4084 -0.1789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33230 10552SOL HW133228 6.491 3.530 5.112 0.5819 1.1664 -1.2906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33231 10552SOL HW233229 6.439 3.680 5.147 0.3457 0.3853 1.9984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33232 10553SOL OW33230 6.198 2.282 3.650 0.5594 -0.2303 -0.1730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33233 10553SOL HW133231 6.254 2.358 3.681 0.2499 0.1700 -0.5879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33234 10553SOL HW233232 6.256 2.211 3.610 0.7966 0.0514 -0.3272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33235 10554SOL OW33233 5.816 2.963 5.182 0.3387 0.0928 0.0184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33236 10554SOL HW133234 5.763 2.933 5.261 1.2573 -0.3326 0.4910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33237 10554SOL HW233235 5.760 2.956 5.099 0.0805 -1.6747 0.3031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33238 10555SOL OW33236 6.744 2.920 4.865 -0.1771 -0.6185 -0.5317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33239 10555SOL HW133237 6.819 2.878 4.813 1.9379 2.1290 0.0390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33240 10555SOL HW233238 6.662 2.925 4.808 0.7228 -1.6937 -1.9924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33241 10556SOL OW33239 7.041 3.193 3.976 -0.3731 0.5759 0.4843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33242 10556SOL HW133240 7.102 3.137 4.032 -1.6757 -0.2663 1.1228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33243 10556SOL HW233241 6.951 3.149 3.971 0.3885 -1.0374 -4.7920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33244 10557SOL OW33242 7.182 3.592 5.044 -0.1565 -0.3708 0.5679
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33245 10557SOL HW133243 7.262 3.625 4.994 -1.3426 1.3302 -0.3095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33246 10557SOL HW233244 7.140 3.515 4.996 0.2672 -0.4944 0.3981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33247 10558SOL OW33245 6.881 3.645 4.625 0.2170 0.5677 0.4263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33248 10558SOL HW133246 6.961 3.704 4.632 1.1728 -0.5716 -0.3483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33249 10558SOL HW233247 6.901 3.569 4.562 -1.5999 0.4491 -0.0776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33250 10559SOL OW33248 5.621 2.857 5.025 0.5710 0.5458 0.0677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33251 10559SOL HW133249 5.568 2.941 5.015 1.1350 0.9619 0.5433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33252 10559SOL HW233250 5.647 2.823 4.934 1.0138 1.3143 -0.0964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33253 10560SOL OW33251 6.049 3.697 5.403 -0.1045 0.0438 -0.1079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33254 10560SOL HW133252 5.978 3.646 5.355 -1.2471 -0.5687 2.0927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33255 10560SOL HW233253 6.118 3.634 5.438 1.1929 0.5667 -1.5778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33256 10561SOL OW33254 6.957 3.514 4.156 -0.2750 -0.3789 0.6403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33257 10561SOL HW133255 6.972 3.557 4.067 0.2418 -1.7538 0.0275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33258 10561SOL HW233256 6.963 3.583 4.228 0.6640 0.5506 -0.2897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33259 10562SOL OW33257 5.517 3.542 5.513 -0.1900 -0.0114 0.2514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33260 10562SOL HW133258 5.513 3.467 5.580 -0.3271 0.3862 0.6957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33261 10562SOL HW233259 5.567 3.619 5.552 -0.3587 0.2625 -0.0688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33262 10563SOL OW33260 6.791 2.757 4.285 -0.1639 0.2395 -0.2655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33263 10563SOL HW133261 6.801 2.691 4.210 0.8052 0.6192 -0.4924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33264 10563SOL HW233262 6.833 2.844 4.258 0.4099 0.3136 0.8030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33265 10564SOL OW33263 6.336 3.285 5.187 -0.1189 -0.8409 0.0436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33266 10564SOL HW133264 6.288 3.280 5.274 -1.7389 -2.6919 -0.8971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33267 10564SOL HW233265 6.273 3.318 5.116 0.5482 -1.4145 -0.8352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33268 10565SOL OW33266 6.308 3.423 3.836 -0.2007 0.1176 0.1666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33269 10565SOL HW133267 6.368 3.434 3.757 -1.4485 0.9167 -0.7111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33270 10565SOL HW233268 6.318 3.331 3.873 1.4601 0.1987 -0.0264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33271 10566SOL OW33269 5.750 2.187 4.409 -0.7452 0.0126 0.8152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33272 10566SOL HW133270 5.838 2.183 4.363 -0.9576 1.1645 0.2708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33273 10566SOL HW233271 5.758 2.144 4.499 -0.5399 -3.0554 -0.5390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33274 10567SOL OW33272 6.652 3.437 3.858 -0.0504 0.7257 -0.1793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33275 10567SOL HW133273 6.652 3.364 3.926 0.0087 2.2541 1.5127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33276 10567SOL HW233274 6.595 3.409 3.780 0.4170 -1.3278 0.1477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33277 10568SOL OW33275 6.276 2.879 5.059 0.3307 -0.2228 0.5584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33278 10568SOL HW133276 6.221 2.956 5.028 0.3662 -0.0143 1.0024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33279 10568SOL HW233277 6.311 2.898 5.151 2.0414 0.1318 -0.1245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33280 10569SOL OW33278 6.572 2.928 3.991 0.4468 -0.0196 0.1416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33281 10569SOL HW133279 6.569 2.955 3.894 -1.0255 0.0735 0.1913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33282 10569SOL HW233280 6.529 2.838 4.001 1.9368 -0.7124 0.5148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33283 10570SOL OW33281 6.875 3.758 3.687 -0.0391 0.2598 -0.1981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33284 10570SOL HW133282 6.779 3.774 3.712 -0.0421 -0.0448 -0.0072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33285 10570SOL HW233283 6.887 3.662 3.661 0.0666 0.4639 -0.9248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33286 10571SOL OW33284 5.815 3.275 5.168 0.2240 -0.2676 0.2239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33287 10571SOL HW133285 5.733 3.268 5.225 -0.2761 0.0070 -0.4438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33288 10571SOL HW233286 5.851 3.184 5.149 -1.2895 -0.5870 -1.3885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33289 10572SOL OW33287 6.480 2.998 4.265 0.6979 0.2688 0.1831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33290 10572SOL HW133288 6.478 2.898 4.257 2.9027 0.1567 0.5056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33291 10572SOL HW233289 6.555 3.035 4.210 -0.0167 1.7624 0.1579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33292 10573SOL OW33290 6.523 2.132 4.650 -0.2363 -0.0119 0.5238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33293 10573SOL HW133291 6.548 2.082 4.568 -2.0204 -0.5449 0.2479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33294 10573SOL HW233292 6.507 2.067 4.725 -3.7179 -0.1140 -0.1401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33295 10574SOL OW33293 6.034 3.294 4.085 0.2937 0.4276 -0.0950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33296 10574SOL HW133294 6.062 3.198 4.083 0.1630 0.4046 -1.3953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33297 10574SOL HW233295 6.015 3.325 3.992 0.1705 1.6698 0.3317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33298 10575SOL OW33296 5.643 3.300 3.843 -0.7449 -0.4091 -0.0706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33299 10575SOL HW133297 5.706 3.317 3.768 -2.2867 1.9977 -0.9391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33300 10575SOL HW233298 5.581 3.225 3.819 -1.5419 0.6544 -1.4743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33301 10576SOL OW33299 5.683 2.904 5.403 0.5320 -0.0609 -0.1119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33302 10576SOL HW133300 5.589 2.883 5.430 -0.1104 -1.0485 -2.8592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33303 10576SOL HW233301 5.740 2.822 5.413 1.0869 0.4410 1.2004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33304 10577SOL OW33302 6.098 1.851 5.029 0.4044 0.0270 -0.3011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33305 10577SOL HW133303 6.055 1.812 5.110 -0.7982 -0.0120 -0.9371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33306 10577SOL HW233304 6.120 1.947 5.047 -2.5313 0.9157 -0.8191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33307 10578SOL OW33305 5.526 2.340 3.596 0.4150 -0.1430 -0.2107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33308 10578SOL HW133306 5.499 2.294 3.511 -0.3510 1.1179 -0.6853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33309 10578SOL HW233307 5.621 2.320 3.616 0.7847 0.0167 -1.6917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33310 10579SOL OW33308 6.916 2.658 5.039 -0.6741 -0.6035 -0.0862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33311 10579SOL HW133309 6.850 2.665 4.964 0.4018 0.1673 -1.0040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33312 10579SOL HW233310 7.000 2.706 5.014 0.7041 -2.5489 0.5702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33313 10580SOL OW33311 5.864 1.910 4.224 0.2920 -0.1268 -0.2498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33314 10580SOL HW133312 5.940 1.928 4.286 -0.6017 0.0990 0.8081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33315 10580SOL HW233313 5.885 1.947 4.133 1.3297 0.1344 0.0848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33316 10581SOL OW33314 6.658 3.181 4.045 0.0303 -0.0411 -0.3989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33317 10581SOL HW133315 6.641 3.085 4.026 0.5995 0.0106 -1.2147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33318 10581SOL HW233316 6.721 3.189 4.123 0.3358 -0.3432 -0.6110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33319 10582SOL OW33317 6.136 2.669 4.956 -0.1458 0.2144 -0.4256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33320 10582SOL HW133318 6.197 2.733 5.002 -0.1123 -0.3924 0.3958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33321 10582SOL HW233319 6.175 2.577 4.958 -1.2124 -0.2559 0.4404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33322 10583SOL OW33320 7.086 3.837 4.655 -0.5066 0.4013 -0.6788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33323 10583SOL HW133321 7.125 3.832 4.563 -1.3399 -0.7977 -0.9814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33324 10583SOL HW233322 7.160 3.853 4.721 0.5438 -1.8459 -1.2211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33325 10584SOL OW33323 6.282 2.363 5.305 0.5182 0.3988 -0.0783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33326 10584SOL HW133324 6.367 2.398 5.345 0.8438 -0.0227 -0.3999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33327 10584SOL HW233325 6.265 2.271 5.339 -0.3749 0.8699 0.8167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33328 10585SOL OW33326 6.909 3.092 5.235 -0.1048 0.1994 -0.2690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33329 10585SOL HW133327 6.858 3.177 5.233 -0.7808 -0.2012 -0.3848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33330 10585SOL HW233328 7.001 3.108 5.272 0.2084 1.2042 -1.4228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33331 10586SOL OW33329 5.872 3.531 5.245 -0.1309 -0.5810 -0.1100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33332 10586SOL HW133330 5.781 3.571 5.259 0.2816 -0.2555 2.0619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33333 10586SOL HW233331 5.862 3.433 5.228 -0.9419 -0.2884 -1.5153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33334 10587SOL OW33332 7.102 2.805 4.893 -0.0491 -0.3907 -0.0673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33335 10587SOL HW133333 7.189 2.806 4.843 -1.1882 -1.1003 -2.1875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33336 10587SOL HW233334 7.067 2.898 4.900 0.8639 -0.0958 0.8304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33337 10588SOL OW33335 6.789 2.272 4.093 0.5353 0.4999 0.3854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33338 10588SOL HW133336 6.718 2.212 4.056 -0.2176 0.5715 1.6431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33339 10588SOL HW233337 6.873 2.220 4.105 0.7386 0.4312 -1.1895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33340 10589SOL OW33338 5.989 2.621 4.304 -0.0273 -0.2132 0.0154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33341 10589SOL HW133339 6.043 2.545 4.339 -2.2404 -1.9428 -0.0818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33342 10589SOL HW233340 5.981 2.615 4.205 0.2106 0.4688 -0.0530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33343 10590SOL OW33341 0.019 2.932 5.183 0.1271 0.3236 -0.7030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33344 10590SOL HW133342 0.102 2.889 5.218 -0.6950 0.1950 1.2244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33345 10590SOL HW233343 -0.050 2.863 5.166 -0.0057 0.5583 -1.1223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33346 10591SOL OW33344 6.361 3.197 3.950 0.6589 -0.1887 -0.1015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33347 10591SOL HW133345 6.306 3.198 4.033 -0.0360 -0.2961 -0.5542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33348 10591SOL HW233346 6.450 3.156 3.970 0.7464 0.3879 0.7369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33349 10592SOL OW33347 6.365 3.546 4.788 -0.3157 -0.0752 -0.7464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33350 10592SOL HW133348 6.402 3.633 4.755 -1.5515 0.8201 0.1164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33351 10592SOL HW233349 6.416 3.517 4.869 -0.2325 0.1268 -0.7250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33352 10593SOL OW33350 6.278 2.612 4.384 -0.1989 -0.3064 0.0051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33353 10593SOL HW133351 6.375 2.613 4.361 -0.4383 -1.1188 -1.1751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33354 10593SOL HW233352 6.260 2.675 4.460 1.2434 -0.1853 0.2658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33355 10594SOL OW33353 6.567 2.974 3.748 -0.6664 0.8243 0.1081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33356 10594SOL HW133354 6.521 3.005 3.664 -0.0141 -0.6098 -0.8281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33357 10594SOL HW233355 6.636 2.905 3.724 0.0391 0.9156 1.7670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33358 10595SOL OW33356 7.171 3.500 4.609 -0.0721 0.6314 -0.0605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33359 10595SOL HW133357 7.080 3.494 4.570 -1.2236 1.3336 2.3375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33360 10595SOL HW233358 7.206 3.407 4.626 -0.2700 0.3581 -1.0960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33361 10596SOL OW33359 5.778 3.126 5.607 -0.6341 -0.4628 -0.1804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33362 10596SOL HW133360 5.772 3.052 5.540 -1.3960 0.4544 -1.1531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33363 10596SOL HW233361 5.693 3.132 5.660 -0.6593 -0.1501 -0.2526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33364 10597SOL OW33362 5.644 3.034 4.392 -1.0374 0.2370 0.0067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33365 10597SOL HW133363 5.550 3.017 4.363 -1.5146 -0.2627 1.7464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33366 10597SOL HW233364 5.687 3.098 4.329 -1.4892 -1.9189 -2.6753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33367 10598SOL OW33365 6.207 3.271 5.424 -0.2552 -0.0598 -0.1413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33368 10598SOL HW133366 6.129 3.213 5.404 -0.1010 -0.5407 0.6505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33369 10598SOL HW233367 6.239 3.255 5.517 -1.1098 2.3265 0.6478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33370 10599SOL OW33368 7.233 1.962 4.976 0.0463 0.2853 -0.5070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33371 10599SOL HW133369 7.194 1.907 5.050 1.0776 0.2450 0.0325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33372 10599SOL HW233370 7.332 1.964 4.985 0.1716 0.4283 -1.8051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33373 10600SOL OW33371 6.128 2.388 3.932 -0.1407 -0.0239 0.1996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33374 10600SOL HW133372 6.202 2.421 3.873 -0.9052 -1.2873 -1.5590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33375 10600SOL HW233373 6.057 2.346 3.876 -2.0934 0.8940 1.8643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33376 10601SOL OW33374 5.844 2.470 4.741 0.1526 -0.0592 0.4225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33377 10601SOL HW133375 5.916 2.447 4.807 -0.3705 0.2448 1.1124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33378 10601SOL HW233376 5.799 2.386 4.710 1.5440 -0.3660 -0.9030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33379 10602SOL OW33377 6.179 3.465 4.255 -0.2471 -0.3151 -0.3499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33380 10602SOL HW133378 6.249 3.489 4.188 0.2095 0.6005 0.4389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33381 10602SOL HW233379 6.121 3.392 4.218 0.3512 -0.2232 -1.4993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33382 10603SOL OW33380 6.771 2.334 4.874 0.0244 -0.0407 0.3506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33383 10603SOL HW133381 6.771 2.356 4.971 -1.2662 0.3018 0.2927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33384 10603SOL HW233382 6.682 2.357 4.834 0.4833 -0.3030 -0.8863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33385 10604SOL OW33383 6.548 1.913 4.843 0.0133 0.2560 -0.1989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33386 10604SOL HW133384 6.544 1.843 4.772 -1.3711 -0.2627 0.3466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33387 10604SOL HW233385 6.637 1.911 4.887 0.3008 -0.5572 -0.8011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33388 10605SOL OW33386 6.248 3.135 4.209 0.2721 -0.5040 -0.1105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33389 10605SOL HW133387 6.325 3.078 4.235 0.2792 0.1114 1.3328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33390 10605SOL HW233388 6.164 3.096 4.247 0.0310 -0.5612 -0.7055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33391 10606SOL OW33389 6.165 3.368 4.990 0.1165 0.2024 -0.5876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33392 10606SOL HW133390 6.090 3.428 5.016 -0.3742 -0.1401 -1.2001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33393 10606SOL HW233391 6.220 3.413 4.920 2.5443 1.9385 2.1897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33394 10607SOL OW33392 6.686 2.130 3.691 -0.1438 0.1430 -0.4553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33395 10607SOL HW133393 6.717 2.077 3.612 1.5413 0.5826 -0.1275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33396 10607SOL HW233394 6.685 2.227 3.668 1.0805 0.3455 0.2504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33397 10608SOL OW33395 6.823 2.286 4.414 0.7740 0.2978 -0.2457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33398 10608SOL HW133396 6.894 2.336 4.365 1.1079 1.3386 1.2449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33399 10608SOL HW233397 6.853 2.266 4.507 -0.7567 0.5176 0.3358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33400 10609SOL OW33398 7.051 2.025 4.580 -0.1498 -0.1011 -0.4875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33401 10609SOL HW133399 7.056 1.954 4.650 1.6013 0.0405 -0.4166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33402 10609SOL HW233400 7.014 2.109 4.619 -0.3919 -0.3968 -0.0740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33403 10610SOL OW33401 5.574 2.857 3.983 -0.5344 -0.2488 -0.5161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33404 10610SOL HW133402 5.670 2.858 4.010 -1.0560 -0.0257 1.4487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33405 10610SOL HW233403 5.557 2.777 3.925 0.6949 -0.6217 -0.3950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33406 10611SOL OW33404 6.386 3.471 4.082 -0.3585 -0.0676 -0.1106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33407 10611SOL HW133405 6.360 3.469 3.985 1.5807 -0.2421 -0.6673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33408 10611SOL HW233406 6.407 3.565 4.109 -1.3924 0.0603 0.3173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33409 10612SOL OW33407 5.788 2.458 5.570 0.2201 -0.3945 0.2945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33410 10612SOL HW133408 5.712 2.403 5.604 -0.0158 -1.4988 -1.8458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33411 10612SOL HW233409 5.868 2.400 5.557 0.7858 0.3262 0.4652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33412 10613SOL OW33410 5.708 2.113 6.422 -0.6986 0.3158 -0.4518
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33413 10613SOL HW133411 5.720 2.035 6.484 -0.4620 0.1989 -0.6419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33414 10613SOL HW233412 5.616 2.151 6.433 -0.6840 0.2489 -0.0833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33415 10614SOL OW33413 5.503 2.220 6.093 0.2586 0.0358 0.6678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33416 10614SOL HW133414 5.419 2.268 6.119 0.2911 0.3584 0.1735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33417 10614SOL HW233415 5.481 2.151 6.024 0.2175 -0.6464 1.3483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33418 10615SOL OW33416 5.882 3.175 6.630 -0.2543 -0.1085 -0.2811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33419 10615SOL HW133417 5.851 3.216 6.716 -0.1833 1.2590 -0.8905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33420 10615SOL HW233418 5.846 3.227 6.553 -1.1564 -1.9159 -1.1404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33421 10616SOL OW33419 6.908 3.390 6.167 -0.0196 -0.0501 -0.3799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33422 10616SOL HW133420 6.827 3.371 6.222 0.6997 0.2111 0.8206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33423 10616SOL HW233421 6.882 3.404 6.072 -1.4541 0.6050 0.0827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33424 10617SOL OW33422 6.679 2.513 6.182 -0.1193 -0.2930 0.2272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33425 10617SOL HW133423 6.596 2.555 6.219 1.6582 2.3591 1.5604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33426 10617SOL HW233424 6.654 2.441 6.118 -3.4079 -1.3447 2.4173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33427 10618SOL OW33425 7.214 2.448 5.803 0.0287 0.4227 0.1393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33428 10618SOL HW133426 7.174 2.532 5.840 2.6195 2.2467 -0.8519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33429 10618SOL HW233427 7.213 2.376 5.873 0.0539 2.0838 1.9369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33430 10619SOL OW33428 6.141 3.071 6.675 0.2296 -0.0824 -0.4618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33431 10619SOL HW133429 6.056 3.122 6.658 -0.4623 -0.7206 0.9056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33432 10619SOL HW233430 6.208 3.094 6.605 -0.6805 1.3072 -0.9259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33433 10620SOL OW33431 6.192 2.346 0.056 -0.1750 -0.2414 -0.3007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33434 10620SOL HW133432 6.248 2.422 0.089 2.2960 -2.3037 0.5240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33435 10620SOL HW233433 6.193 2.346 -0.044 2.1507 -0.7236 -0.3287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33436 10621SOL OW33434 6.265 2.851 6.283 -0.4093 0.1167 0.0002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33437 10621SOL HW133435 6.316 2.935 6.300 -0.0497 -0.2013 0.5110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33438 10621SOL HW233436 6.169 2.865 6.309 -1.1793 1.4629 -3.1003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33439 10622SOL OW33437 5.734 3.026 6.907 0.6427 -0.7657 -0.4048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33440 10622SOL HW133438 5.729 2.936 6.865 0.9895 -0.6730 -0.6453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33441 10622SOL HW233439 5.664 3.085 6.867 0.3156 -0.9713 -0.1393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33442 10623SOL OW33440 6.980 3.241 6.900 0.1055 0.0239 -0.2470
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33443 10623SOL HW133441 6.938 3.331 6.900 -0.2414 -0.1312 -0.8865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33444 10623SOL HW233442 6.970 3.199 6.990 0.6948 0.8151 0.1956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33445 10624SOL OW33443 5.919 2.163 6.966 0.3504 -0.1238 0.2666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33446 10624SOL HW133444 5.944 2.172 7.063 -1.9854 2.5657 0.7572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33447 10624SOL HW233445 5.836 2.108 6.958 -1.3311 2.3014 0.2302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33448 10625SOL OW33446 5.708 3.548 5.906 0.3817 0.2727 -0.2814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33449 10625SOL HW133447 5.759 3.606 5.968 0.6766 -0.0936 -0.1803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33450 10625SOL HW233448 5.765 3.524 5.828 0.3793 -0.1710 -0.1482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33451 10626SOL OW33449 5.731 3.302 6.025 0.4218 0.0860 -0.2147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33452 10626SOL HW133450 5.713 3.397 5.998 0.1077 -0.0226 -0.3941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33453 10626SOL HW233451 5.690 3.240 5.958 1.3735 -0.1784 -0.5655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33454 10627SOL OW33452 5.859 2.890 6.633 -0.0897 -0.6403 -0.0085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33455 10627SOL HW133453 5.795 2.837 6.689 -0.3986 -0.2156 0.0421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33456 10627SOL HW233454 5.860 2.985 6.664 2.1629 -1.0616 1.4169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33457 10628SOL OW33455 5.927 3.774 6.863 0.0780 -0.2371 0.0907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33458 10628SOL HW133456 5.859 3.740 6.928 0.3841 -0.2301 0.4197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33459 10628SOL HW233457 6.018 3.762 6.901 0.1898 1.2210 0.3501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33460 10629SOL OW33458 6.190 2.732 5.793 -0.2204 0.6882 -0.9388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33461 10629SOL HW133459 6.195 2.812 5.733 -0.9375 1.4874 0.0215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33462 10629SOL HW233460 6.249 2.747 5.872 0.3159 -0.1305 -1.1708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33463 10630SOL OW33461 7.209 1.324 0.003 -0.3736 0.1096 0.4953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33464 10630SOL HW133462 7.156 1.279 0.075 0.7782 -2.5004 -0.1696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33465 10630SOL HW233463 7.235 1.256 -0.066 -0.2208 2.2438 -1.6799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33466 10631SOL OW33464 5.658 2.430 6.185 -0.0768 -0.6814 0.3986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33467 10631SOL HW133465 5.583 2.376 6.148 -1.1114 0.4749 0.7506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33468 10631SOL HW233466 5.657 2.425 6.285 -0.6876 0.5989 0.4797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33469 10632SOL OW33467 5.507 3.321 5.683 0.1960 -0.2140 -0.1492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33470 10632SOL HW133468 5.421 3.289 5.644 -0.5826 0.7867 0.6840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33471 10632SOL HW233469 5.547 3.249 5.740 -0.0955 -0.6777 -0.5302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33472 10633SOL OW33470 0.014 2.816 6.027 0.1343 0.4345 0.0146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33473 10633SOL HW133471 0.014 2.741 6.093 -1.9240 1.0632 0.8093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33474 10633SOL HW233472 -0.033 2.787 5.944 -1.7022 1.1236 0.7606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33475 10634SOL OW33473 5.737 2.549 0.072 -0.2970 -0.1854 0.3135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33476 10634SOL HW133474 5.821 2.502 0.043 -0.6099 -0.7121 0.2505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33477 10634SOL HW233475 5.737 2.642 0.034 1.5238 0.7990 2.4797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33478 10635SOL OW33476 6.084 3.131 6.381 -0.4677 -0.3898 -0.1701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33479 10635SOL HW133477 6.072 3.040 6.421 0.6722 -0.0365 1.0328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33480 10635SOL HW233478 6.037 3.135 6.293 -1.4458 -1.7972 0.2556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33481 10636SOL OW33479 6.932 3.140 7.139 0.3319 0.0466 -0.5702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33482 10636SOL HW133480 7.026 3.121 7.168 0.1793 0.2362 0.0622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33483 10636SOL HW233481 6.874 3.061 7.158 0.2758 0.0910 -0.5546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33484 10637SOL OW33482 6.344 1.919 6.377 -0.0855 -0.1203 -0.0064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33485 10637SOL HW133483 6.380 1.991 6.317 -0.4353 0.1897 0.1451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33486 10637SOL HW233484 6.256 1.949 6.415 -0.1875 -0.5915 0.1365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33487 10638SOL OW33485 5.702 2.775 6.819 -0.0745 -0.4103 0.0086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33488 10638SOL HW133486 5.778 2.723 6.857 -1.2988 -1.9996 0.4167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33489 10638SOL HW233487 5.621 2.716 6.812 -0.7318 0.6398 -2.3248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33490 10639SOL OW33488 6.873 2.573 5.971 0.4899 0.0979 0.5109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33491 10639SOL HW133489 6.823 2.577 5.885 1.4104 -1.2981 -0.1316
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33492 10639SOL HW233490 6.810 2.587 6.047 -0.7477 -0.8698 -0.2955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33493 10640SOL OW33491 6.840 3.472 6.972 -0.0629 0.5413 0.6272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33494 10640SOL HW133492 6.780 3.546 6.945 -0.3297 -0.0805 -0.5618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33495 10640SOL HW233493 6.822 3.447 7.068 0.3449 2.2665 1.1924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33496 10641SOL OW33494 5.592 1.898 7.236 -0.2304 0.0578 -0.1180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33497 10641SOL HW133495 5.599 1.946 7.323 0.5680 -0.6139 0.1918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33498 10641SOL HW233496 5.511 1.839 7.238 -0.3559 0.2345 0.0704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33499 10642SOL OW33497 6.856 3.273 6.440 0.4697 0.1490 0.1989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33500 10642SOL HW133498 6.911 3.275 6.523 0.5975 -0.8995 0.1519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33501 10642SOL HW233499 6.865 3.184 6.396 -0.7402 0.1870 -0.1631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33502 10643SOL OW33500 7.032 3.625 6.242 0.2465 -0.0671 0.1002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33503 10643SOL HW133501 7.085 3.665 6.168 0.7217 0.3141 0.6417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33504 10643SOL HW233502 7.016 3.528 6.223 0.7703 -0.0832 -0.2649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33505 10644SOL OW33503 6.066 2.501 5.723 -0.2356 0.1294 0.0468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33506 10644SOL HW133504 6.119 2.583 5.744 2.7311 -1.6673 0.1173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33507 10644SOL HW233505 5.968 2.523 5.723 0.3855 3.3489 1.2132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33508 10645SOL OW33506 6.603 2.406 6.565 -0.3920 0.3264 -0.0918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33509 10645SOL HW133507 6.562 2.493 6.593 1.2466 1.1075 0.0072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33510 10645SOL HW233508 6.564 2.332 6.620 -0.8966 1.1672 0.7105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33511 10646SOL OW33509 7.094 3.314 5.856 0.0333 0.2599 0.2242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33512 10646SOL HW133510 7.182 3.331 5.900 0.9084 -1.0000 -0.9822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33513 10646SOL HW233511 7.060 3.399 5.816 1.0641 0.6004 0.0538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33514 10647SOL OW33512 6.229 2.284 7.033 0.1099 -0.1716 -0.1270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33515 10647SOL HW133513 6.251 2.193 7.068 -0.7032 -0.5401 -0.5430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33516 10647SOL HW233514 6.146 2.279 6.978 1.0919 0.4680 -1.7271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33517 10648SOL OW33515 6.400 2.746 7.002 -0.8148 -0.2348 -0.2442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33518 10648SOL HW133516 6.449 2.698 6.928 1.4558 2.4514 -0.6457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33519 10648SOL HW233517 6.356 2.827 6.964 0.5860 1.3225 1.3054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33520 10649SOL OW33518 6.469 2.195 6.723 -0.1259 -0.0669 -0.0569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33521 10649SOL HW133519 6.391 2.256 6.713 0.5909 0.7712 -0.6576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33522 10649SOL HW233520 6.438 2.100 6.719 -1.1513 0.2467 0.1116
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33523 10650SOL OW33521 6.538 2.358 5.957 -0.4593 -0.2886 0.4391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33524 10650SOL HW133522 6.554 2.451 5.923 -1.4099 -0.5025 -0.6469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33525 10650SOL HW233523 6.443 2.332 5.939 0.3036 -2.2183 -1.1284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33526 10651SOL OW33524 5.577 2.466 6.463 0.4244 0.7311 -0.5109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33527 10651SOL HW133525 5.658 2.518 6.489 1.8628 -1.4231 -0.3993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33528 10651SOL HW233526 5.571 2.384 6.519 -0.4880 -0.3576 -2.1222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33529 10652SOL OW33527 5.584 3.921 7.176 1.2618 -0.0833 -0.2929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33530 10652SOL HW133528 5.531 3.960 7.251 1.2164 -0.9479 0.1308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33531 10652SOL HW233529 5.639 3.993 7.133 0.6264 0.5852 0.0044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33532 10653SOL OW33530 6.271 2.126 5.735 -0.0765 0.2715 0.5175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33533 10653SOL HW133531 6.227 2.055 5.681 -1.0129 1.2450 -0.0520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33534 10653SOL HW233532 6.350 2.162 5.686 0.3006 -0.2494 0.7341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33535 10654SOL OW33533 6.999 2.947 6.067 0.4954 0.1985 0.5216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33536 10654SOL HW133534 7.098 2.943 6.053 0.5785 -0.1370 1.1906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33537 10654SOL HW233535 6.960 3.020 6.010 1.3103 1.2742 1.3073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33538 10655SOL OW33536 6.088 2.008 6.479 0.2075 -0.1798 -0.5189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33539 10655SOL HW133537 6.068 2.026 6.575 2.2543 1.0819 -0.2577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33540 10655SOL HW233538 6.074 2.092 6.426 0.5302 -0.4580 -1.0579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33541 10656SOL OW33539 6.549 3.220 6.151 -0.2691 -0.4755 0.2757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33542 10656SOL HW133540 6.583 3.308 6.187 -0.9444 -0.2909 0.4785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33543 10656SOL HW233541 6.453 3.229 6.127 -0.7956 -1.5990 1.8065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33544 10657SOL OW33542 5.854 3.596 6.348 -0.0350 0.1073 -0.0538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33545 10657SOL HW133543 5.887 3.674 6.402 0.1711 -0.1248 0.1572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33546 10657SOL HW233544 5.892 3.511 6.385 1.3372 0.0530 -1.4799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33547 10658SOL OW33545 7.049 2.896 6.501 -0.2731 0.1596 0.6207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33548 10658SOL HW133546 7.129 2.955 6.492 1.4347 -1.8766 1.5452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33549 10658SOL HW233547 7.012 2.903 6.593 -0.4751 0.2657 0.5326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33550 10659SOL OW33548 6.552 3.328 7.101 -0.1472 -1.0917 0.1365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33551 10659SOL HW133549 6.536 3.232 7.078 -0.8079 -0.5157 -2.0536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33552 10659SOL HW233550 6.580 3.378 7.019 -0.0101 0.6472 1.1882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33553 10660SOL OW33551 5.898 2.690 5.864 -0.7813 -0.2867 0.2526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33554 10660SOL HW133552 5.994 2.715 5.871 -0.4718 -1.3863 0.0372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33555 10660SOL HW233553 5.877 2.618 5.931 -1.8356 0.9999 1.3986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33556 10661SOL OW33554 7.003 2.666 6.353 0.3679 -0.1104 0.5415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33557 10661SOL HW133555 6.969 2.602 6.421 -1.3967 -0.1647 -0.3415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33558 10661SOL HW233556 7.028 2.752 6.398 -2.3551 0.4689 1.1568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33559 10662SOL OW33557 5.941 2.975 0.141 0.1151 0.1413 -0.2322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33560 10662SOL HW133558 5.907 3.037 0.070 1.2043 0.7720 -0.2272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33561 10662SOL HW233559 5.895 2.887 0.133 -2.2158 1.2271 0.3979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33562 10663SOL OW33560 6.546 3.454 5.892 0.3334 -0.6755 0.3519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33563 10663SOL HW133561 6.464 3.504 5.921 0.3199 -0.2698 -0.3648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33564 10663SOL HW233562 6.521 3.388 5.821 0.4239 -1.4255 0.9999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33565 10664SOL OW33563 5.589 2.166 6.905 -0.3251 -0.1971 0.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33566 10664SOL HW133564 5.616 2.246 6.959 -0.3951 0.2011 -0.5032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33567 10664SOL HW233565 5.622 2.083 6.951 -0.1797 0.1515 0.5912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33568 10665SOL OW33566 5.946 3.553 5.699 -0.1256 -0.2064 -0.1126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33569 10665SOL HW133567 5.996 3.604 5.769 0.7795 -0.2773 -0.6905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33570 10665SOL HW233568 6.003 3.479 5.664 0.4748 1.3377 -2.6890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33571 10666SOL OW33569 7.081 1.863 6.153 0.7099 -0.0269 -0.4257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33572 10666SOL HW133570 7.101 1.809 6.235 -0.8978 -0.0209 -0.0016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33573 10666SOL HW233571 7.104 1.810 6.072 -2.0720 -1.9715 -0.0631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33574 10667SOL OW33572 5.555 3.550 6.679 0.6635 -0.5897 -0.3999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33575 10667SOL HW133573 5.652 3.572 6.690 0.1194 1.4276 0.8600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33576 10667SOL HW233574 5.531 3.555 6.582 1.5259 0.2937 -0.5779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33577 10668SOL OW33575 6.382 3.492 6.262 0.5782 -0.2389 0.1298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33578 10668SOL HW133576 6.464 3.454 6.304 0.2755 1.3556 2.3637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33579 10668SOL HW233577 6.407 3.562 6.196 1.0789 0.9003 1.4664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33580 10669SOL OW33578 5.839 2.456 5.984 0.1061 -0.2472 0.2149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33581 10669SOL HW133579 5.885 2.369 5.966 1.3772 -0.2130 2.8088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33582 10669SOL HW233580 5.780 2.446 6.064 -1.6067 0.7134 -0.8729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33583 10670SOL OW33581 6.412 1.922 5.956 -0.5044 0.0671 0.2950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33584 10670SOL HW133582 6.478 1.894 6.026 -0.7365 -0.9895 0.1060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33585 10670SOL HW233583 6.455 1.990 5.896 -0.2793 0.9148 1.3989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33586 10671SOL OW33584 5.985 2.084 7.234 -0.1386 -0.4440 0.1583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33587 10671SOL HW133585 6.009 1.988 7.247 2.9509 0.2460 0.3773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33588 10671SOL HW233586 6.037 2.141 7.299 -1.8064 1.4112 -0.0291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33589 10672SOL OW33587 6.246 3.290 6.848 0.7379 -0.0017 0.3647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33590 10672SOL HW133588 6.195 3.207 6.830 -0.4672 0.9666 -0.9885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33591 10672SOL HW233589 6.322 3.297 6.783 0.7018 0.0451 0.3265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33592 10673SOL OW33590 6.762 2.266 6.985 -0.1871 0.0897 0.4711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33593 10673SOL HW133591 6.730 2.237 7.075 0.5583 0.9261 1.0184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33594 10673SOL HW233592 6.737 2.361 6.969 -1.8624 -0.5340 -0.9610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33595 10674SOL OW33593 6.317 3.158 6.504 -0.0220 -0.1192 -0.8904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33596 10674SOL HW133594 6.393 3.108 6.462 0.7678 0.4601 -0.1915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33597 10674SOL HW233595 6.233 3.141 6.453 -0.4229 -4.2716 0.7712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33598 10675SOL OW33596 6.367 2.119 6.211 -0.1938 -0.1937 0.1608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33599 10675SOL HW133597 6.276 2.154 6.191 -0.5430 -1.3627 -0.3950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33600 10675SOL HW233598 6.431 2.148 6.140 -0.7067 -1.4909 -0.8916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33601 10676SOL OW33599 6.012 1.786 6.381 -0.2505 0.5351 0.4027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33602 10676SOL HW133600 6.039 1.860 6.443 2.3192 -0.0974 0.1743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33603 10676SOL HW233601 5.977 1.824 6.296 -1.9355 1.4229 1.4480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33604 10677SOL OW33602 6.861 2.947 5.643 0.4482 0.6239 0.3223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33605 10677SOL HW133603 6.860 2.857 5.600 1.6987 0.5552 0.4067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33606 10677SOL HW233604 6.772 2.991 5.630 -1.0134 -1.5078 2.2299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33607 10678SOL OW33605 5.868 1.800 5.647 -0.3198 0.2199 0.6693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33608 10678SOL HW133606 5.833 1.891 5.629 0.1820 0.4473 0.8193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33609 10678SOL HW233607 5.930 1.803 5.725 -0.9345 -0.3974 1.1961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33610 10679SOL OW33608 6.635 2.109 6.099 -0.2056 0.5825 0.6607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33611 10679SOL HW133609 6.630 2.197 6.053 -1.2666 -0.3674 -1.1971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33612 10679SOL HW233610 6.729 2.078 6.103 0.0255 1.1992 0.1271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33613 10680SOL OW33611 6.469 2.377 6.931 -0.5030 -0.0428 -0.6144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33614 10680SOL HW133612 6.388 2.354 6.985 1.8909 -2.0672 2.5108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33615 10680SOL HW233613 6.501 2.296 6.883 2.0170 -0.6643 1.8219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33616 10681SOL OW33614 6.650 3.426 6.352 -0.4106 -0.2047 -0.2185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33617 10681SOL HW133615 6.639 3.525 6.364 -0.6813 -0.2780 0.1566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33618 10681SOL HW233616 6.721 3.393 6.415 -0.5949 -0.3104 -0.0648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33619 10682SOL OW33617 6.001 2.876 6.419 -0.3094 0.1693 0.2068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33620 10682SOL HW133618 5.964 2.875 6.512 1.4613 -0.0524 0.9324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33621 10682SOL HW233619 5.938 2.826 6.359 -1.1037 -0.3594 1.4202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33622 10683SOL OW33620 6.625 3.695 6.395 -0.4671 -0.8052 0.0254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33623 10683SOL HW133621 6.620 3.702 6.296 -0.5252 -2.4176 -0.1172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33624 10683SOL HW233622 6.557 3.755 6.437 0.8565 1.3882 -0.8103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33625 10684SOL OW33623 6.464 2.208 5.559 -0.0176 0.3050 -0.1758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33626 10684SOL HW133624 6.492 2.299 5.531 0.5362 -0.6222 -2.9706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33627 10684SOL HW233625 6.544 2.148 5.561 -0.4986 -0.3275 0.7424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33628 10685SOL OW33626 5.690 2.341 7.073 -0.0001 0.1994 0.2219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33629 10685SOL HW133627 5.783 2.376 7.067 1.1017 -2.5713 -0.0064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33630 10685SOL HW233628 5.669 2.319 7.168 -0.6998 1.4187 0.3695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33631 10686SOL OW33629 6.033 2.036 6.730 0.1819 0.2178 0.7308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33632 10686SOL HW133630 6.092 1.963 6.763 -0.2436 -0.4538 0.0391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33633 10686SOL HW233631 6.016 2.101 6.805 -0.9397 -1.3701 1.9259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33634 10687SOL OW33632 6.109 2.439 6.125 -0.3293 0.4564 -0.3088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33635 10687SOL HW133633 6.010 2.449 6.115 -0.5518 -1.3285 -0.1782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33636 10687SOL HW233634 6.149 2.417 6.036 -0.6307 -2.7218 0.2065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33637 10688SOL OW33635 6.578 1.745 6.436 -0.2065 0.4752 0.2435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33638 10688SOL HW133636 6.506 1.809 6.407 -0.8068 -0.0843 0.4609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33639 10688SOL HW233637 6.541 1.683 6.505 0.2065 -0.4461 -0.3404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33640 10689SOL OW33638 6.910 3.038 6.323 -0.7816 -0.3733 -0.2522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33641 10689SOL HW133639 6.960 2.985 6.391 -0.1081 -1.0136 -1.2230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33642 10689SOL HW233640 6.927 3.001 6.232 -1.9781 0.2241 -0.7478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33643 10690SOL OW33641 6.877 2.531 6.583 -0.2031 0.2233 -0.0768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33644 10690SOL HW133642 6.796 2.485 6.546 -0.4726 0.9321 -0.3749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33645 10690SOL HW233643 6.940 2.462 6.619 0.4070 -0.6052 -2.4837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33646 10691SOL OW33644 7.086 2.734 5.822 0.3296 -0.0416 0.1743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33647 10691SOL HW133645 7.094 2.815 5.764 -1.1116 -1.4480 -2.1510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33648 10691SOL HW233646 7.000 2.737 5.873 -0.3601 -0.6708 -0.9183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33649 10692SOL OW33647 5.977 3.115 5.789 -0.0227 0.1803 -0.1309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33650 10692SOL HW133648 5.948 3.061 5.868 0.3824 1.6320 1.0585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33651 10692SOL HW233649 5.903 3.119 5.722 -1.6270 1.5423 1.6132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33652 10693SOL OW33650 6.911 2.446 5.666 0.6590 -0.7651 -0.3208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33653 10693SOL HW133651 6.852 2.391 5.725 1.4797 -0.0462 1.2438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33654 10693SOL HW233652 6.999 2.460 5.712 0.7276 1.2368 -0.9904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33655 10694SOL OW33653 6.163 2.013 5.957 0.2290 -0.6815 -0.1741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33656 10694SOL HW133654 6.238 1.964 6.001 -1.2123 -0.0013 3.3048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33657 10694SOL HW233655 6.200 2.072 5.885 3.0040 -0.4406 1.3350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33658 10695SOL OW33656 6.488 3.265 6.679 -0.4324 0.3250 0.1802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33659 10695SOL HW133657 6.428 3.279 6.600 -1.4467 -0.7190 0.7338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33660 10695SOL HW233658 6.536 3.178 6.671 0.4644 0.8122 0.1057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33661 10696SOL OW33659 6.600 3.013 6.694 -0.9323 0.1557 -0.0168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33662 10696SOL HW133660 6.620 2.951 6.618 1.9809 4.1277 -2.9343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33663 10696SOL HW233661 6.636 2.974 6.779 0.5928 -2.1842 -1.6062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33664 10697SOL OW33662 6.952 2.969 6.770 0.5216 -0.0579 0.1739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33665 10697SOL HW133663 6.927 3.062 6.798 1.2027 0.0254 0.5270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33666 10697SOL HW233664 6.883 2.905 6.803 1.0193 0.1071 1.6106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33667 10698SOL OW33665 6.404 1.759 6.864 0.0238 0.1217 0.1789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33668 10698SOL HW133666 6.427 1.662 6.866 0.0984 0.1384 2.8652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33669 10698SOL HW233667 6.483 1.814 6.890 -0.6341 0.7328 0.9627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33670 10699SOL OW33668 6.342 2.801 6.023 0.1416 -0.5407 -0.2141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33671 10699SOL HW133669 6.308 2.793 6.117 1.1610 -1.0740 0.1254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33672 10699SOL HW233670 6.441 2.795 6.023 0.1248 -1.1732 -1.3941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33673 10700SOL OW33671 5.932 2.632 6.924 -0.0886 -0.2394 -0.4777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33674 10700SOL HW133672 6.004 2.616 6.991 -0.4281 0.8957 0.1842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33675 10700SOL HW233673 5.936 2.561 6.854 1.1538 -0.6567 -0.0201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33676 10701SOL OW33674 6.715 2.120 6.770 0.0895 0.2913 -0.0135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33677 10701SOL HW133675 6.748 2.174 6.847 0.4855 1.7998 -1.2017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33678 10701SOL HW233676 6.619 2.141 6.751 0.5047 1.3757 -1.0798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33679 10702SOL OW33677 5.569 3.460 7.019 0.4196 -0.0672 0.3358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33680 10702SOL HW133678 5.572 3.547 7.067 -0.6315 -0.0186 0.3442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33681 10702SOL HW233679 5.650 3.450 6.962 -0.7990 2.2738 -2.0045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33682 10703SOL OW33680 5.781 2.845 6.234 0.3539 0.0784 -0.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33683 10703SOL HW133681 5.732 2.866 6.149 -0.9431 -1.4696 0.2129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33684 10703SOL HW233682 5.734 2.887 6.311 1.5447 1.5025 -0.1027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33685 10704SOL OW33683 6.105 2.254 6.386 0.2068 -0.6176 -0.3457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33686 10704SOL HW133684 6.085 2.309 6.305 0.3081 1.6074 1.0782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33687 10704SOL HW233685 6.196 2.277 6.420 0.1642 -1.5135 0.4163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33688 10705SOL OW33686 6.639 3.073 5.926 0.7698 -0.5234 0.3300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33689 10705SOL HW133687 6.736 3.086 5.907 0.2286 1.2284 -1.6016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33690 10705SOL HW233688 6.609 3.142 5.993 0.3922 0.5745 -0.9249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33691 10706SOL OW33689 7.053 3.280 6.612 0.5974 -0.0023 0.0334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33692 10706SOL HW133690 7.050 3.243 6.705 -0.6437 -0.7359 -0.2688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33693 10706SOL HW233691 7.135 3.247 6.565 1.0287 0.0566 0.7286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33694 10707SOL OW33692 6.955 2.319 6.095 0.0828 -0.6497 -0.1600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33695 10707SOL HW133693 6.899 2.395 6.063 -0.9296 -0.8125 1.1490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33696 10707SOL HW233694 7.010 2.283 6.019 0.6614 1.4296 -0.7761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33697 10708SOL OW33695 5.813 3.562 6.719 -0.1120 0.1764 -0.6305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33698 10708SOL HW133696 5.883 3.519 6.663 0.2141 -0.2976 0.1177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33699 10708SOL HW233697 5.854 3.638 6.770 -0.0247 -0.3506 0.1110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33700 10709SOL OW33698 5.960 2.445 7.171 0.3426 0.6204 -0.4896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33701 10709SOL HW133699 6.002 2.534 7.149 1.9694 0.6386 2.1706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33702 10709SOL HW233700 6.031 2.382 7.204 -1.1664 -0.7603 0.2452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33703 10710SOL OW33701 7.121 2.571 7.077 -0.5046 0.3800 -0.1151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33704 10710SOL HW133702 7.039 2.540 7.125 -1.9625 -0.7993 -3.1009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33705 10710SOL HW233703 7.103 2.660 7.035 -0.4788 -0.1499 -1.2637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33706 10711SOL OW33704 6.129 2.804 6.776 -0.3315 -0.1194 -0.2087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33707 10711SOL HW133705 6.086 2.890 6.748 -0.9839 -0.8890 -1.6932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33708 10711SOL HW233706 6.068 2.756 6.840 -0.5131 -0.0096 -0.2978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33709 10712SOL OW33707 6.753 2.637 6.803 -0.3433 0.5977 -0.1342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33710 10712SOL HW133708 6.658 2.615 6.780 -0.4146 -0.3963 1.0165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33711 10712SOL HW233709 6.810 2.622 6.722 -1.3652 2.9963 -1.4157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33712 10713SOL OW33710 6.786 2.269 5.811 -0.2185 -0.1738 0.6410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33713 10713SOL HW133711 6.813 2.178 5.779 1.3516 -0.3562 2.2614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33714 10713SOL HW233712 6.696 2.265 5.855 -0.8888 -0.5757 -0.7328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33715 10714SOL OW33713 5.763 1.862 6.568 -0.3357 -0.2001 0.9372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33716 10714SOL HW133714 5.843 1.874 6.628 -0.1769 -2.1995 1.2002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33717 10714SOL HW233715 5.794 1.834 6.477 -0.7152 -1.7040 1.2406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33718 10715SOL OW33716 5.580 3.264 6.776 0.2677 0.4981 -1.1529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33719 10715SOL HW133717 5.511 3.271 6.848 -1.0479 1.2970 -2.4443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33720 10715SOL HW233718 5.588 3.352 6.729 0.9309 -0.0775 -2.1510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33721 10716SOL OW33719 6.245 2.615 6.627 0.6678 -0.1446 0.6000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33722 10716SOL HW133720 6.196 2.597 6.541 1.2701 0.7367 0.0584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33723 10716SOL HW233721 6.209 2.699 6.668 1.1306 0.0351 0.6419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33724 10717SOL OW33722 5.863 1.867 6.149 0.0042 0.3088 0.6498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33725 10717SOL HW133723 5.819 1.945 6.106 0.2804 0.1393 0.0524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33726 10717SOL HW233724 5.797 1.819 6.207 -0.4790 0.3076 0.1053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33727 10718SOL OW33725 7.159 2.197 5.948 -0.0661 0.9868 0.3003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33728 10718SOL HW133726 7.182 2.114 5.896 0.7349 1.6913 -0.4894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33729 10718SOL HW233727 7.168 2.177 6.046 0.2885 0.1855 0.1199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33730 10719SOL OW33728 6.386 2.380 6.342 -0.3456 -0.1321 0.0154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33731 10719SOL HW133729 6.472 2.382 6.392 -0.5690 0.8148 0.3905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33732 10719SOL HW233730 6.382 2.299 6.284 0.8995 -0.0556 -0.1868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33733 10720SOL OW33731 6.847 2.015 5.766 -0.0857 0.2231 0.1575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33734 10720SOL HW133732 6.841 1.915 5.774 -0.7581 0.0612 -1.8695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33735 10720SOL HW233733 6.870 2.054 5.855 -1.5389 -1.6053 1.4110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33736 10721SOL OW33734 6.841 2.696 5.522 -0.0774 0.2992 0.2416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33737 10721SOL HW133735 6.884 2.611 5.555 1.9232 1.2711 0.2750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33738 10721SOL HW233736 6.867 2.711 5.427 -1.7906 0.0685 -0.3038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33739 10722SOL OW33737 6.490 3.019 6.354 -0.2099 -1.2811 0.0815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33740 10722SOL HW133738 6.556 2.995 6.426 -0.1523 0.7117 0.7803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33741 10722SOL HW233739 6.539 3.062 6.278 -0.6587 0.6360 0.8009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33742 10723SOL OW33740 5.807 2.608 6.585 0.5536 0.1714 0.5605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33743 10723SOL HW133741 5.893 2.656 6.572 0.9798 0.3545 3.4479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33744 10723SOL HW233742 5.824 2.509 6.588 0.3203 0.0629 -0.8776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33745 10724SOL OW33743 5.867 2.327 6.531 0.3821 -0.0333 -0.0967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33746 10724SOL HW133744 5.819 2.248 6.494 -1.1294 1.1570 -0.8366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33747 10724SOL HW233745 5.962 2.327 6.500 0.3860 -1.4896 -0.1429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33748 10725SOL OW33746 6.618 1.904 6.950 0.6118 -0.0645 0.3025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33749 10725SOL HW133747 6.657 1.887 7.040 1.6196 -4.0577 -0.6444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33750 10725SOL HW233748 6.690 1.936 6.888 1.3592 -2.5396 -0.2344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33751 10726SOL OW33749 5.599 3.074 5.788 -0.4567 -0.8322 -0.0437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33752 10726SOL HW133750 5.532 3.065 5.863 -0.8306 -2.3056 -0.5223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33753 10726SOL HW233751 5.629 2.983 5.760 -1.7541 -0.4579 -2.9667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33754 10727SOL OW33752 5.537 3.608 6.392 0.4857 -0.1776 -0.0650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33755 10727SOL HW133753 5.488 3.580 6.309 0.9434 1.2658 -0.8561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33756 10727SOL HW233754 5.631 3.631 6.368 1.2972 -1.8786 1.2624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33757 10728SOL OW33755 5.998 3.436 6.539 0.3344 0.5261 0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33758 10728SOL HW133756 6.068 3.502 6.513 0.4203 0.3688 -0.1094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33759 10728SOL HW233757 6.024 3.345 6.505 -1.2518 0.9068 -2.3835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33760 10729SOL OW33758 6.484 2.612 6.775 -0.0619 0.4869 0.7780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33761 10729SOL HW133759 6.460 2.531 6.828 -1.2909 0.0228 -0.4579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33762 10729SOL HW233760 6.410 2.635 6.712 2.3000 -0.5737 -2.6897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33763 10730SOL OW33761 5.561 2.287 6.678 0.1728 0.5126 -0.2995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33764 10730SOL HW133762 5.511 2.227 6.615 -1.0088 0.3126 0.7763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33765 10730SOL HW233763 5.568 2.242 6.767 1.1449 1.1052 -0.0672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33766 10731SOL OW33764 6.269 2.366 5.871 -0.8419 0.2021 0.1619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33767 10731SOL HW133765 6.273 2.278 5.823 -0.0695 0.9557 -1.2184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33768 10731SOL HW233766 6.216 2.431 5.817 0.2704 1.1499 0.1675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33769 10732SOL OW33767 5.861 3.493 7.242 -0.3902 0.4089 -0.4877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33770 10732SOL HW133768 5.801 3.422 7.278 0.4382 0.3993 0.9531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33771 10732SOL HW233769 5.956 3.460 7.243 0.0271 1.5665 0.3359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33772 10733SOL OW33770 6.245 2.346 6.693 0.6259 0.4307 -0.3758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33773 10733SOL HW133771 6.148 2.344 6.717 0.7475 1.8314 0.3005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33774 10733SOL HW233772 6.269 2.436 6.657 1.5946 -0.0313 -0.9402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33775 10734SOL OW33773 6.416 3.633 0.008 -0.3731 0.1181 0.1755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33776 10734SOL HW133774 6.421 3.537 0.035 0.7227 0.5871 1.7432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33777 10734SOL HW233775 6.443 3.642 -0.088 4.0711 -0.7105 1.1170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33778 10735SOL OW33776 5.981 2.250 5.633 -0.6956 -0.1388 0.0353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33779 10735SOL HW133777 6.053 2.192 5.594 -1.5806 -1.3285 0.0930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33780 10735SOL HW233778 6.020 2.308 5.705 0.0870 -1.2849 0.5690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33781 10736SOL OW33779 5.774 3.048 7.184 0.5626 -0.1875 0.0898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33782 10736SOL HW133780 5.793 3.145 7.200 -0.2937 -0.0334 0.2629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33783 10736SOL HW233781 5.755 3.033 7.087 0.7898 -0.1982 0.0474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33784 10737SOL OW33782 6.726 2.878 6.908 -0.9775 0.5016 0.6933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33785 10737SOL HW133783 6.724 2.782 6.880 0.2339 0.5410 0.4543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33786 10737SOL HW233784 6.729 2.884 7.008 1.0990 0.2347 0.6708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33787 10738SOL OW33785 6.591 2.592 5.846 0.0298 -0.5603 0.0098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33788 10738SOL HW133786 6.616 2.664 5.910 -2.6464 0.3224 0.1789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33789 10738SOL HW233787 6.572 2.632 5.757 0.0245 -1.2696 -0.3144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33790 10739SOL OW33788 7.043 3.577 6.510 0.5388 -0.4393 -0.4571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33791 10739SOL HW133789 7.029 3.607 6.416 1.0167 0.2815 -0.3066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33792 10739SOL HW233790 7.050 3.478 6.512 -0.7076 -0.5624 -1.0162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33793 10740SOL OW33791 6.569 3.513 6.805 -0.1866 -0.5287 0.0674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33794 10740SOL HW133792 6.551 3.419 6.776 -0.8685 -0.7751 1.2487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33795 10740SOL HW233793 6.640 3.553 6.746 -1.2947 -1.0997 -1.7273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33796 10741SOL OW33794 5.609 3.157 6.491 0.1362 0.0926 -0.1763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33797 10741SOL HW133795 5.620 3.172 6.589 3.4349 -2.3189 -0.0051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33798 10741SOL HW233796 5.562 3.070 6.476 1.2460 -0.4483 -0.6421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33799 10742SOL OW33797 6.884 3.130 5.898 -0.2045 -0.1285 -0.5834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33800 10742SOL HW133798 6.911 3.078 5.817 -0.9620 -0.9959 -0.3031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33801 10742SOL HW233799 6.934 3.216 5.901 1.2506 -0.9290 -0.9572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33802 10743SOL OW33800 6.829 2.774 6.168 0.3396 0.1384 0.5171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33803 10743SOL HW133801 6.893 2.713 6.215 2.2273 0.3195 -1.6882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33804 10743SOL HW233802 6.879 2.850 6.128 -1.4816 1.0544 -0.1070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33805 10744SOL OW33803 6.472 3.078 7.072 0.1566 0.8082 0.5563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33806 10744SOL HW133804 6.383 3.100 7.113 -0.5417 -0.2739 -0.3210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33807 10744SOL HW233805 6.458 3.021 6.991 1.5275 2.1995 -0.7386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33808 10745SOL OW33806 6.136 3.322 5.730 0.0281 -0.4928 0.5455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33809 10745SOL HW133807 6.233 3.306 5.747 0.2785 0.8087 0.4998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33810 10745SOL HW233808 6.084 3.242 5.756 1.1070 -1.1814 0.6639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33811 10746SOL OW33809 5.744 2.104 6.146 0.3178 0.0964 -0.0994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33812 10746SOL HW133810 5.655 2.142 6.123 2.0467 4.0855 -1.1286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33813 10746SOL HW233811 5.758 2.109 6.245 -0.1800 0.4512 -0.0445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33814 10747SOL OW33812 6.701 3.334 5.618 0.0994 -0.2762 0.2222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33815 10747SOL HW133813 6.685 3.243 5.655 -0.5506 0.2602 1.2984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33816 10747SOL HW233814 6.644 3.348 5.537 -1.3094 -0.1061 1.2294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33817 10748SOL OW33815 6.370 2.971 6.828 -0.2655 0.1808 -0.2896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33818 10748SOL HW133816 6.275 2.990 6.804 -0.3615 1.1821 0.8146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33819 10748SOL HW233817 6.428 2.986 6.747 -1.0642 -0.8219 -1.0741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33820 10749SOL OW33818 6.608 2.805 6.026 -0.0956 0.4384 0.2547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33821 10749SOL HW133819 6.693 2.791 6.076 0.6169 -0.1741 -1.0688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33822 10749SOL HW233820 6.604 2.897 5.989 -0.4491 0.7674 1.0914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33823 10750SOL OW33821 6.946 3.477 5.686 0.7041 0.8418 -0.3705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33824 10750SOL HW133822 6.877 3.422 5.639 1.6666 -0.4469 -0.3114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33825 10750SOL HW233823 6.977 3.550 5.626 0.3042 0.5836 -0.9019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33826 10751SOL OW33824 5.868 3.352 6.885 -0.0801 0.0832 0.0231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33827 10751SOL HW133825 5.940 3.392 6.940 0.3085 0.2838 -0.6222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33828 10751SOL HW233826 5.830 3.421 6.824 -0.1231 -0.2681 -0.3521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33829 10752SOL OW33827 6.679 2.854 6.476 -0.1705 0.1007 0.5351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33830 10752SOL HW133828 6.655 2.765 6.439 0.6450 -0.0971 0.4522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33831 10752SOL HW233829 6.774 2.876 6.451 0.4487 -0.0867 2.5438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33832 10753SOL OW33830 6.379 1.941 6.669 0.0617 0.3225 -0.0544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33833 10753SOL HW133831 6.397 1.860 6.724 -0.5411 0.7980 0.8669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33834 10753SOL HW233832 6.364 1.913 6.574 0.9428 -0.5217 0.0320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33835 10754SOL OW33833 5.949 3.195 6.141 0.0742 -0.0412 0.5478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33836 10754SOL HW133834 5.958 3.119 6.076 1.0573 -0.2795 0.9492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33837 10754SOL HW233835 5.871 3.251 6.115 0.4018 -0.1726 -0.8111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33838 10755SOL OW33836 5.937 2.936 5.989 -0.7240 -0.4569 0.4549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33839 10755SOL HW133837 5.905 2.924 6.082 -0.5129 -0.9698 0.4631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33840 10755SOL HW233838 5.916 2.855 5.935 0.1854 -0.6308 0.3538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33841 10756SOL OW33839 5.689 2.801 0.007 -0.0970 -0.2145 -0.0189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33842 10756SOL HW133840 5.655 2.830 0.097 0.0011 -0.7372 0.1897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33843 10756SOL HW233841 5.698 2.881 -0.052 0.0690 0.1746 0.5251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33844 10757SOL OW33842 6.206 1.929 6.931 0.0205 -0.1754 -0.1917
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33845 10757SOL HW133843 6.276 1.868 6.893 -0.0666 0.3908 -1.3224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33846 10757SOL HW233844 6.238 1.967 7.017 0.4094 -1.1811 0.1281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33847 10758SOL OW33845 5.651 2.140 5.346 -0.6031 0.1968 -0.2232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33848 10758SOL HW133846 5.564 2.162 5.389 0.5669 0.5743 2.1094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33849 10758SOL HW233847 5.692 2.224 5.309 0.4965 0.7896 2.1614
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33850 10759SOL OW33848 6.674 2.541 7.098 0.3636 -0.5977 -0.1660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33851 10759SOL HW133849 6.576 2.543 7.118 0.4998 -0.1897 0.5089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33852 10759SOL HW233850 6.693 2.596 7.018 -0.0567 -1.3255 -0.7844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33853 10760SOL OW33851 5.343 1.865 5.712 -0.4613 0.3940 0.3731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33854 10760SOL HW133852 5.417 1.809 5.675 -0.6818 0.7252 -0.5868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33855 10760SOL HW233853 5.255 1.833 5.675 -0.7348 0.4393 0.9715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33856 10761SOL OW33854 6.620 3.068 5.644 -0.0060 0.0245 -0.2450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33857 10761SOL HW133855 6.547 3.018 5.597 0.6649 -1.0824 -0.1632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33858 10761SOL HW233856 6.614 3.050 5.742 -0.4499 1.0535 -0.0745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33859 10762SOL OW33857 6.163 2.655 7.121 0.1120 0.6259 0.1408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33860 10762SOL HW133858 6.167 2.723 7.194 0.8921 -1.0160 1.6892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33861 10762SOL HW233859 6.255 2.633 7.090 -0.1520 0.4843 -0.5678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33862 10763SOL OW33860 6.813 3.686 6.636 0.1410 0.2170 0.5419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33863 10763SOL HW133861 6.764 3.704 6.551 -1.3714 -0.2858 1.2716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33864 10763SOL HW233862 6.903 3.646 6.616 0.6501 1.9475 -0.8560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33865 10764SOL OW33863 6.280 2.047 7.151 0.6443 -0.0651 0.1457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33866 10764SOL HW133864 6.370 2.057 7.193 1.0047 0.1480 -0.6727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33867 10764SOL HW233865 6.222 1.991 7.211 1.5351 -0.7932 0.3526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33868 10765SOL OW33866 5.770 3.700 7.084 -0.3100 -0.7140 -0.1843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33869 10765SOL HW133867 5.731 3.776 7.137 0.1430 0.4578 -1.4642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33870 10765SOL HW233868 5.823 3.641 7.144 -0.0614 0.4071 0.7308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33871 10766SOL OW33869 0.141 2.760 6.609 -0.1698 -0.0084 0.0622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33872 10766SOL HW133870 0.159 2.696 6.534 0.9189 -1.0539 1.1538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33873 10766SOL HW233871 0.075 2.719 6.672 -0.3137 0.4266 0.1968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33874 10767SOL OW33872 6.918 2.048 6.047 -0.0153 -0.1586 -0.3953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33875 10767SOL HW133873 6.995 1.991 6.075 -0.0125 0.7480 1.6990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33876 10767SOL HW233874 6.928 2.139 6.089 -2.6265 -0.2708 0.6708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33877 10768SOL OW33875 6.141 2.601 6.365 -0.3488 0.0878 -0.5622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33878 10768SOL HW133876 6.192 2.681 6.335 1.8696 -1.0631 -0.1069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33879 10768SOL HW233877 6.142 2.532 6.292 -1.3055 0.0316 -0.5429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33880 10769SOL OW33878 7.084 2.802 6.957 0.2827 0.0618 -0.5604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33881 10769SOL HW133879 7.171 2.849 6.966 -0.1404 0.7567 -0.0578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33882 10769SOL HW233880 7.016 2.863 6.917 -0.2082 -0.1903 -0.1290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33883 10770SOL OW33881 6.398 3.249 5.720 0.6372 -0.1932 -0.0598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33884 10770SOL HW133882 6.369 3.199 5.802 1.1997 -1.3065 -0.5110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33885 10770SOL HW233883 6.460 3.191 5.667 0.4538 0.5976 -1.1551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33886 10771SOL OW33884 6.218 3.593 6.467 -0.1554 -0.3149 0.4253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33887 10771SOL HW133885 6.144 3.628 6.408 1.5957 0.3157 -1.5175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33888 10771SOL HW233886 6.288 3.549 6.411 1.6556 0.3677 2.0310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33889 10772SOL OW33887 6.490 2.661 6.355 -0.3359 -0.3017 -0.2947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33890 10772SOL HW133888 6.438 2.577 6.373 -0.6696 -0.2006 -0.7693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33891 10772SOL HW233889 6.426 2.735 6.334 -0.0202 -0.0498 -0.3615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33892 10773SOL OW33890 6.563 2.698 5.581 -0.0501 -0.2067 -0.6348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33893 10773SOL HW133891 6.522 2.787 5.561 0.8479 -0.0984 -2.0930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33894 10773SOL HW233892 6.655 2.694 5.542 0.1750 -1.5507 -0.0210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33895 10774SOL OW33893 7.164 3.328 6.244 -0.0827 0.0278 -0.3699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33896 10774SOL HW133894 7.067 3.334 6.219 0.0040 0.1350 -0.6925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33897 10774SOL HW233895 7.186 3.233 6.267 -0.1021 -0.1421 -1.0134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33898 10775SOL OW33896 5.558 3.168 6.229 -0.5794 0.1246 0.1532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33899 10775SOL HW133897 5.583 3.175 6.326 -1.7929 -0.9765 0.5703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33900 10775SOL HW233898 5.613 3.232 6.176 1.0223 -0.1736 1.3939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33901 10776SOL OW33899 5.991 3.118 6.947 0.6504 -0.4900 -0.5259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33902 10776SOL HW133900 5.955 3.210 6.929 0.8228 -0.4814 -0.8419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33903 10776SOL HW233901 5.917 3.051 6.940 0.3471 -0.2952 0.5310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33904 10777SOL OW33902 7.092 1.950 6.923 -0.2971 -0.0275 -0.2837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33905 10777SOL HW133903 7.081 1.898 6.838 -0.6550 -1.0601 0.3801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33906 10777SOL HW233904 7.186 1.938 6.957 0.1045 1.0499 -0.9341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33907 10778SOL OW33905 5.938 2.189 5.988 -0.7067 0.0810 -0.0953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33908 10778SOL HW133906 6.020 2.132 5.991 -0.0906 0.8128 -1.6357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33909 10778SOL HW233907 5.869 2.151 6.049 0.8735 -0.3668 1.5299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33910 10779SOL OW33908 5.946 2.385 6.793 0.3547 -0.2977 0.0403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33911 10779SOL HW133909 5.928 2.347 6.883 -1.0227 1.8409 0.7522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33912 10779SOL HW233910 5.877 2.353 6.728 0.7674 -1.0621 -0.0278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33913 10780SOL OW33911 6.238 3.271 6.135 -0.1487 -0.3022 0.5072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33914 10780SOL HW133912 6.138 3.274 6.140 -0.2127 0.8082 -0.9268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33915 10780SOL HW233913 6.274 3.364 6.133 0.6256 -0.5459 -2.8596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33916 10781SOL OW33914 7.037 2.214 6.939 0.2666 -0.8164 0.0317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33917 10781SOL HW133915 7.064 2.118 6.937 -0.8746 -1.1509 -0.1852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33918 10781SOL HW233916 6.937 2.220 6.948 0.1697 0.3359 -1.4781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33919 10782SOL OW33917 6.498 1.512 6.840 -0.0184 -0.3777 -0.0029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33920 10782SOL HW133918 6.489 1.486 6.743 -1.1646 -0.7404 0.1848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33921 10782SOL HW233919 6.595 1.526 6.861 0.1417 1.4545 -1.6346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33922 10783SOL OW33920 6.283 3.109 5.924 -0.0124 0.1232 0.0363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33923 10783SOL HW133921 6.224 3.029 5.917 -1.1339 1.0231 -1.2956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33924 10783SOL HW233922 6.265 3.156 6.010 0.8009 -1.1355 0.9262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33925 10784SOL OW33923 6.081 3.465 6.973 -0.4285 -0.2552 -0.4102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33926 10784SOL HW133924 6.129 3.550 6.991 -0.1865 -0.3061 -0.8062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33927 10784SOL HW233925 6.142 3.401 6.926 -1.7422 0.8236 -3.9068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33928 10785SOL OW33926 6.801 1.762 5.771 -0.6777 -0.6767 0.2904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33929 10785SOL HW133927 6.799 1.767 5.671 -0.8088 -0.7796 0.2876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33930 10785SOL HW233928 6.714 1.724 5.804 -0.2437 -1.6270 0.3844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33931 10786SOL OW33929 6.833 1.982 6.565 -0.0629 -0.2633 0.3851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33932 10786SOL HW133930 6.859 2.051 6.497 0.6508 0.7205 1.6101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33933 10786SOL HW233931 6.773 2.023 6.633 -0.9949 -1.3113 0.2201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33934 10787SOL OW33932 6.998 2.265 6.439 -0.0937 -0.6577 -0.0277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33935 10787SOL HW133933 6.925 2.316 6.394 0.5307 -0.4490 -0.8275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33936 10787SOL HW233934 7.051 2.326 6.498 2.4015 0.3806 -3.0976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33937 10788SOL OW33935 5.686 2.827 5.736 0.1246 -0.1436 -0.5613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33938 10788SOL HW133936 5.752 2.759 5.768 -0.6307 -0.6454 -0.0306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33939 10788SOL HW233937 5.645 2.797 5.650 0.1549 -0.1215 -0.5832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33940 10789SOL OW33938 6.280 3.508 5.901 -0.1022 -0.0814 0.9004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33941 10789SOL HW133939 6.230 3.442 5.845 -0.5339 1.3233 -0.4260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33942 10789SOL HW233940 6.230 3.595 5.902 0.9735 0.5464 1.7641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33943 10790SOL OW33941 5.599 4.303 0.045 -0.3799 0.5907 -0.0707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33944 10790SOL HW133942 5.554 4.307 0.135 -0.1722 0.5914 0.0332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33945 10790SOL HW233943 5.585 4.390 -0.003 -1.6167 0.1396 -0.5877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33946 10791SOL OW33944 5.716 4.009 0.939 -0.1191 -0.4142 -0.5359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33947 10791SOL HW133945 5.789 4.076 0.948 1.0530 -1.6116 -0.7227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33948 10791SOL HW233946 5.689 3.977 1.030 2.0733 -2.4843 -0.5178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33949 10792SOL OW33947 5.462 3.932 0.494 0.1998 -0.4021 -0.4526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33950 10792SOL HW133948 5.376 3.960 0.537 -0.3115 0.4387 -1.9318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33951 10792SOL HW233949 5.448 3.844 0.448 -0.3767 0.4239 -1.9651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33952 10793SOL OW33950 6.102 4.956 1.335 0.2844 0.0642 -0.5735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33953 10793SOL HW133951 6.012 4.957 1.379 0.7103 -0.0466 0.3202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33954 10793SOL HW233952 6.101 5.017 1.256 -0.4451 0.4133 -0.3066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33955 10794SOL OW33953 7.088 5.141 0.874 0.1081 -0.3419 0.6705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33956 10794SOL HW133954 7.113 5.106 0.784 -0.4215 -1.4768 0.9405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33957 10794SOL HW233955 6.990 5.161 0.876 0.2217 0.1967 0.8290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33958 10795SOL OW33956 6.592 4.266 0.839 -0.0995 -0.0325 -0.5790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33959 10795SOL HW133957 6.680 4.251 0.883 0.0350 1.1261 -0.4066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33960 10795SOL HW233958 6.538 4.182 0.840 -0.4066 0.1180 2.4544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33961 10796SOL OW33959 6.957 4.532 0.026 -0.9149 0.1175 0.4143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33962 10796SOL HW133960 6.895 4.582 0.087 -0.0206 1.3544 0.3457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33963 10796SOL HW233961 6.976 4.442 0.065 -2.3538 -0.0974 0.6777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33964 10797SOL OW33962 6.332 4.889 1.210 0.5809 -0.0943 -0.0421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33965 10797SOL HW133963 6.244 4.884 1.259 1.1037 1.0726 1.0675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33966 10797SOL HW233964 6.320 4.856 1.117 -0.6324 -1.6911 0.6265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33967 10798SOL OW33965 6.436 4.428 1.856 0.1867 0.1944 0.3280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33968 10798SOL HW133966 6.393 4.453 1.942 -1.6113 -1.0946 -0.1521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33969 10798SOL HW233967 6.424 4.502 1.790 1.5589 1.1804 1.1277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33970 10799SOL OW33968 6.197 4.660 0.677 -0.1535 -0.2432 -0.2418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33971 10799SOL HW133969 6.269 4.625 0.737 -1.9148 -0.2007 2.0654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33972 10799SOL HW233970 6.217 4.755 0.652 0.4915 -0.1553 0.5502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33973 10800SOL OW33971 6.078 4.880 1.808 0.2519 -0.0805 -0.2546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33974 10800SOL HW133972 6.130 4.901 1.891 0.2398 -1.3530 0.0997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33975 10800SOL HW233973 6.141 4.867 1.732 0.3405 0.0250 -0.2000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33976 10801SOL OW33974 6.052 5.057 1.072 0.1715 0.6184 0.2416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33977 10801SOL HW133975 6.025 4.967 1.038 -0.4748 0.6103 0.7633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33978 10801SOL HW233976 6.089 5.111 0.996 -0.9876 0.5015 -0.4326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33979 10802SOL OW33977 7.130 5.339 1.296 0.2376 -0.6286 -0.5574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33980 10802SOL HW133978 7.186 5.257 1.300 -0.3832 -1.1204 -1.5835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33981 10802SOL HW233979 7.157 5.402 1.369 2.2499 -0.7382 -1.1563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33982 10803SOL OW33980 5.904 3.938 1.410 0.2516 -0.0747 0.2586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33983 10803SOL HW133981 5.944 3.933 1.501 1.4984 1.4983 -0.1563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33984 10803SOL HW233982 5.805 3.923 1.415 0.1966 0.6959 1.9512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33985 10804SOL OW33983 5.734 5.442 0.269 0.8540 0.8631 -0.1480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33986 10804SOL HW133984 5.749 5.368 0.335 1.2675 -0.0160 -1.2021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33987 10804SOL HW233985 5.814 5.449 0.209 0.2651 1.2996 -0.8897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33988 10805SOL OW33986 6.524 5.120 1.608 0.2168 0.3111 -0.2451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33989 10805SOL HW133987 6.500 5.042 1.666 0.9322 1.2394 1.3737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33990 10805SOL HW233988 6.448 5.139 1.546 -1.4223 0.4170 1.6694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33991 10806SOL OW33989 5.799 5.236 0.454 -0.0096 0.0345 -0.0284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33992 10806SOL HW133990 5.779 5.159 0.392 -0.6615 -0.1570 0.4127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33993 10806SOL HW233991 5.753 5.221 0.541 -0.1353 0.9255 0.0658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33994 10807SOL OW33992 5.973 4.786 0.981 -0.1372 0.3456 0.4236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33995 10807SOL HW133993 6.029 4.705 0.959 -0.8778 -0.1690 0.4068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33996 10807SOL HW233994 5.897 4.759 1.040 -0.1657 1.1093 0.7454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33997 10808SOL OW33995 6.022 5.552 1.563 -0.1081 0.0774 -0.0802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33998 10808SOL HW133996 5.924 5.543 1.580 -0.1171 2.0620 1.2409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
33999 10808SOL HW233997 6.038 5.632 1.505 0.7344 -0.1574 -0.1783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34000 10809SOL OW33998 6.110 4.554 0.225 0.0247 -0.0818 0.0049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34001 10809SOL HW133999 6.154 4.473 0.187 -1.0957 -0.7510 0.0857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34002 10809SOL HW234000 6.119 4.555 0.324 0.2996 0.0520 -0.0214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34003 10810SOL OW34001 6.895 3.675 1.475 -0.0444 0.1454 0.4699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34004 10810SOL HW134002 6.944 3.742 1.419 -2.0134 1.6443 0.3910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34005 10810SOL HW234003 6.878 3.714 1.566 -1.8159 0.0821 0.2053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34006 10811SOL OW34004 5.564 4.361 0.727 0.8590 -0.5389 0.0140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34007 10811SOL HW134005 5.493 4.326 0.788 2.1765 -0.7240 1.4840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34008 10811SOL HW234006 5.536 4.451 0.692 -0.1281 -0.6459 0.4852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34009 10812SOL OW34007 5.720 5.059 7.243 -0.3243 0.5665 -0.2270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34010 10812SOL HW134008 5.680 4.973 7.274 0.5221 0.5142 0.7920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34011 10812SOL HW234009 5.673 5.135 7.288 -0.2520 0.5765 -0.1756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34012 10813SOL OW34010 7.096 4.766 0.696 0.3506 0.2176 0.2152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34013 10813SOL HW134011 7.124 4.728 0.608 -2.3232 -0.2557 -0.5244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34014 10813SOL HW234012 7.076 4.863 0.686 -0.3212 0.0813 0.1869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34015 10814SOL OW34013 5.614 4.648 1.481 0.3900 0.6161 0.2555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34016 10814SOL HW134014 5.678 4.651 1.404 1.5382 -3.5655 0.7827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34017 10814SOL HW234015 5.529 4.605 1.451 0.0493 0.8519 0.8758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34018 10815SOL OW34016 6.189 4.924 0.649 0.0966 -0.1492 -0.3236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34019 10815SOL HW134017 6.097 4.935 0.686 0.7301 2.3240 0.6703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34020 10815SOL HW234018 6.200 4.982 0.568 1.2255 0.8321 0.4954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34021 10816SOL OW34019 6.804 5.061 1.404 -0.3967 -0.1344 0.2962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34022 10816SOL HW134020 6.845 4.996 1.340 -0.1772 -0.2954 0.5994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34023 10816SOL HW234021 6.831 5.038 1.497 0.5019 0.9747 0.3404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34024 10817SOL OW34022 6.320 3.575 0.549 0.9538 -0.3637 0.0859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34025 10817SOL HW134023 6.399 3.636 0.539 1.0705 0.1473 3.2336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34026 10817SOL HW234024 6.239 3.621 0.514 1.3067 1.0410 1.0141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34027 10818SOL OW34025 5.813 4.622 1.299 -0.0404 -0.2325 0.1533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34028 10818SOL HW134026 5.905 4.586 1.315 -0.6087 -1.0272 1.8142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34029 10818SOL HW234027 5.820 4.713 1.259 1.4565 -0.1765 0.4661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34030 10819SOL OW34028 6.756 4.756 0.474 0.2636 -0.3327 0.5826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34031 10819SOL HW134029 6.695 4.757 0.554 -1.1659 -3.6390 -0.3152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34032 10819SOL HW234030 6.814 4.675 0.477 1.0082 0.0986 -1.1579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34033 10820SOL OW34031 6.643 5.573 1.675 0.6004 0.3691 -0.3590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34034 10820SOL HW134032 6.627 5.619 1.587 0.6279 0.0243 -0.5465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34035 10820SOL HW234033 6.657 5.476 1.659 -0.6587 0.0962 0.1539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34036 10821SOL OW34034 5.727 3.905 1.802 -0.1390 -0.3822 -0.4736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34037 10821SOL HW134035 5.808 3.940 1.848 1.2259 -1.4083 -1.9948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34038 10821SOL HW234036 5.677 3.980 1.760 -0.1312 0.2872 0.6827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34039 10822SOL OW34037 6.819 5.174 0.906 0.0438 -0.0473 0.1103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34040 10822SOL HW134038 6.730 5.212 0.928 -0.2553 -0.3033 -0.6291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34041 10822SOL HW234039 6.810 5.075 0.891 0.5609 -0.1799 0.6283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34042 10823SOL OW34040 7.236 5.302 0.605 0.2813 1.0377 0.2364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34043 10823SOL HW134041 7.256 5.391 0.566 0.4739 1.2663 0.8478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34044 10823SOL HW234042 7.266 5.299 0.700 1.0506 0.0268 -0.0215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34045 10824SOL OW34043 6.221 4.255 0.501 0.0697 -0.3111 -0.2688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34046 10824SOL HW134044 6.172 4.199 0.434 2.7697 -2.2464 -0.8400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34047 10824SOL HW234045 6.320 4.246 0.485 0.8838 -0.8052 3.8912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34048 10825SOL OW34046 6.716 3.694 0.824 0.0554 0.1443 -0.5600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34049 10825SOL HW134047 6.620 3.678 0.846 0.1088 1.4744 0.8175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34050 10825SOL HW234048 6.767 3.713 0.908 1.0837 1.6442 -1.4661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34051 10826SOL OW34049 7.116 5.517 0.174 -0.3087 -0.3668 0.6895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34052 10826SOL HW134050 7.018 5.501 0.170 -0.0517 -2.0767 0.3158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34053 10826SOL HW234051 7.164 5.441 0.128 1.0621 1.9796 -2.0722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34054 10827SOL OW34052 6.346 4.209 1.512 0.0085 -0.0188 -0.5792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34055 10827SOL HW134053 6.278 4.168 1.573 -0.3743 -0.4649 -1.2952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34056 10827SOL HW234054 6.315 4.202 1.418 1.1823 -0.5149 -0.9536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34057 10828SOL OW34055 6.964 4.135 1.621 -0.1414 -0.2957 0.3167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34058 10828SOL HW134056 6.976 4.155 1.718 0.8180 -2.1999 0.6357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34059 10828SOL HW234057 7.051 4.106 1.581 -0.3312 1.2311 -1.3491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34060 10829SOL OW34058 6.558 4.626 1.663 0.2668 -0.5614 -0.2306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34061 10829SOL HW134059 6.646 4.624 1.614 0.3850 1.5298 -0.1934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34062 10829SOL HW234060 6.485 4.644 1.597 0.4209 2.2192 0.2350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34063 10830SOL OW34061 6.555 4.008 1.215 0.0942 -0.1027 0.0443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34064 10830SOL HW134062 6.481 4.073 1.228 0.2643 0.3236 -1.0015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34065 10830SOL HW234063 6.520 3.925 1.172 -0.1161 -0.7121 1.3466
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34066 10831SOL OW34064 6.484 4.447 0.680 0.0727 -0.4718 0.7472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34067 10831SOL HW134065 6.445 4.510 0.747 0.0393 -0.0358 0.3263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34068 10831SOL HW234066 6.525 4.369 0.727 -1.8451 -1.2687 1.2018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34069 10832SOL OW34067 5.792 4.541 0.979 0.2845 0.0317 -0.0677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34070 10832SOL HW134068 5.891 4.537 0.988 0.3573 1.2131 -0.0978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34071 10832SOL HW234069 5.749 4.498 1.058 0.7724 -2.3775 -1.0283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34072 10833SOL OW34070 5.384 5.766 1.690 0.1620 -0.3431 0.1548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34073 10833SOL HW134071 5.394 5.691 1.756 0.6570 0.2359 0.7551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34074 10833SOL HW234072 5.289 5.769 1.658 -0.3975 0.0868 1.7452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34075 10834SOL OW34073 6.505 3.812 0.192 0.3283 -0.1255 -0.1716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34076 10834SOL HW134074 6.574 3.877 0.161 1.3587 -0.3478 1.5731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34077 10834SOL HW234075 6.475 3.757 0.114 1.0332 0.9469 -1.2435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34078 10835SOL OW34076 0.019 4.226 1.817 0.5160 -0.2134 -1.3748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34079 10835SOL HW134077 0.032 4.313 1.771 -0.2962 -0.9107 -3.0227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34080 10835SOL HW234078 0.009 4.153 1.749 0.4480 -1.4840 -0.0623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34081 10836SOL OW34079 7.068 5.028 0.621 -0.2855 -0.0294 0.2847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34082 10836SOL HW134080 6.977 5.068 0.631 0.2104 1.3036 -0.3014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34083 10836SOL HW234081 7.108 5.057 0.534 1.2505 0.5689 1.1573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34084 10837SOL OW34082 6.205 3.881 1.020 -0.5847 0.0386 0.0088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34085 10837SOL HW134083 6.154 3.914 1.099 -0.1709 0.0473 0.2767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34086 10837SOL HW234084 6.174 3.930 0.938 -0.3698 0.7083 0.3146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34087 10838SOL OW34085 6.552 5.278 0.500 0.6730 0.4480 0.4212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34088 10838SOL HW134086 6.544 5.378 0.493 1.5970 0.5030 0.0766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34089 10838SOL HW234087 6.460 5.238 0.506 0.2762 1.2810 0.0561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34090 10839SOL OW34088 6.013 5.361 0.755 0.3075 0.3752 -0.2165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34091 10839SOL HW134089 6.056 5.271 0.757 -0.1791 0.1630 1.0150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34092 10839SOL HW234090 6.063 5.423 0.816 -0.0716 0.6105 -0.1439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34093 10840SOL OW34091 7.202 4.617 0.930 -0.3757 0.3927 -0.4589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34094 10840SOL HW134092 7.156 4.686 0.874 0.4394 2.1786 0.9777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34095 10840SOL HW234093 7.140 4.585 1.001 -0.5928 0.0135 -0.8175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34096 10841SOL OW34094 6.674 5.343 1.545 -0.5377 -0.1015 -0.6294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34097 10841SOL HW134095 6.625 5.256 1.538 0.5736 -0.9392 1.1765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34098 10841SOL HW234096 6.742 5.349 1.472 -0.5151 -0.8302 -0.6751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34099 10842SOL OW34097 5.824 4.655 0.275 -0.1600 -0.0332 0.6566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34100 10842SOL HW134098 5.851 4.661 0.370 -0.6607 -1.0103 0.8827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34101 10842SOL HW234099 5.903 4.631 0.219 0.0047 -0.1035 0.9189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34102 10843SOL OW34100 6.875 4.510 0.810 0.6977 0.1990 0.2511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34103 10843SOL HW134101 6.845 4.415 0.799 -1.5611 1.0578 -2.1746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34104 10843SOL HW234102 6.974 4.515 0.796 0.8395 -1.7460 0.2198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34105 10844SOL OW34103 5.989 5.116 1.661 -0.0770 -0.1502 0.1910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34106 10844SOL HW134104 5.923 5.077 1.597 -0.4925 2.3522 -1.0274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34107 10844SOL HW234105 6.024 5.043 1.721 -1.6662 -2.0898 -1.0856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34108 10845SOL OW34106 6.565 5.439 0.174 0.5373 0.5314 0.4216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34109 10845SOL HW134107 6.501 5.458 0.100 0.3264 1.9159 0.9245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34110 10845SOL HW234108 6.599 5.346 0.166 -0.3719 0.2782 -0.7352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34111 10846SOL OW34109 5.624 3.923 1.448 -0.3858 0.0300 -0.7593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34112 10846SOL HW134110 5.643 3.991 1.518 -0.1049 -0.3020 -0.5149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34113 10846SOL HW234111 5.564 3.852 1.485 -2.0464 0.9956 -1.4771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34114 10847SOL OW34112 5.971 5.315 0.182 0.1747 -0.4300 0.2847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34115 10847SOL HW134113 5.959 5.243 0.250 0.6068 -0.0854 0.7344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34116 10847SOL HW234114 6.054 5.368 0.204 0.4010 -0.4085 -0.5924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34117 10848SOL OW34115 6.917 3.727 0.353 -0.4651 -0.1926 0.2591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34118 10848SOL HW134116 6.933 3.690 0.262 -0.0376 2.0455 -0.6560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34119 10848SOL HW234117 6.976 3.807 0.367 -0.4524 -0.5408 2.5592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34120 10849SOL OW34118 5.719 5.451 1.002 0.3808 -0.2583 0.4854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34121 10849SOL HW134119 5.798 5.433 1.061 0.6709 0.1086 0.2129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34122 10849SOL HW234120 5.751 5.485 0.913 -0.0562 -0.7399 0.1395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34123 10850SOL OW34121 6.376 5.312 0.788 -0.3252 -0.3747 -0.1201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34124 10850SOL HW134122 6.462 5.362 0.774 -0.5434 0.5103 1.5016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34125 10850SOL HW234123 6.314 5.332 0.713 0.0877 0.7483 -0.1859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34126 10851SOL OW34124 5.841 4.301 0.794 -0.5752 -0.4762 0.1345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34127 10851SOL HW134125 5.827 4.213 0.750 0.1430 -0.7355 0.4258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34128 10851SOL HW234126 5.760 4.359 0.778 -1.3487 -1.4224 0.5219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34129 10852SOL OW34127 6.906 3.782 1.719 0.4318 -0.5055 0.6169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34130 10852SOL HW134128 6.982 3.828 1.764 0.3885 -1.2341 1.4711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34131 10852SOL HW234129 6.826 3.782 1.779 -0.2066 0.1175 -0.2081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34132 10853SOL OW34130 6.166 3.733 0.012 0.4371 -0.1471 1.1680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34133 10853SOL HW134131 6.258 3.700 0.030 0.2119 -0.9651 0.8507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34134 10853SOL HW234132 6.106 3.656 -0.010 0.2660 0.5914 -1.1743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34135 10854SOL OW34133 6.015 3.947 1.666 -0.0957 0.1407 -0.2959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34136 10854SOL HW134134 6.082 3.873 1.667 -0.1353 0.0951 -0.8546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34137 10854SOL HW234135 5.975 3.957 1.757 0.2442 -0.2200 -0.1052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34138 10855SOL OW34136 6.345 5.293 1.304 0.1164 0.1328 -0.3394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34139 10855SOL HW134137 6.350 5.324 1.209 -1.2509 -1.3813 -0.9722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34140 10855SOL HW234138 6.421 5.230 1.322 0.8452 1.0497 -0.1578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34141 10856SOL OW34139 6.919 4.133 1.304 -0.3946 -0.2214 0.3723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34142 10856SOL HW134140 6.905 4.152 1.402 2.2328 0.3366 0.7279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34143 10856SOL HW234141 6.872 4.202 1.250 -3.5110 -1.6144 1.0819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34144 10857SOL OW34142 6.312 4.851 0.925 0.2999 -0.1144 -0.4258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34145 10857SOL HW134143 6.372 4.929 0.912 0.7455 -0.4038 -0.1137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34146 10857SOL HW234144 6.230 4.862 0.868 1.0404 -0.1297 -1.5286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34147 10858SOL OW34145 6.442 4.053 0.878 0.5889 -0.5706 -0.1053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34148 10858SOL HW134146 6.404 4.020 0.792 -0.9543 -0.8196 0.6309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34149 10858SOL HW234147 6.447 3.978 0.944 0.7260 -0.1584 0.3665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34150 10859SOL OW34148 6.102 3.705 0.405 0.0597 -0.1131 0.4179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34151 10859SOL HW134149 6.006 3.699 0.431 0.0036 1.6473 0.6876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34152 10859SOL HW234150 6.118 3.786 0.349 1.1518 -1.1115 -0.7827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34153 10860SOL OW34151 6.729 4.884 0.227 0.2574 -0.1936 0.2895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34154 10860SOL HW134152 6.754 4.866 0.323 0.5807 -1.0203 0.0606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34155 10860SOL HW234153 6.634 4.913 0.223 0.5625 0.9845 0.9749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34156 10861SOL OW34154 5.830 3.870 0.247 0.6016 0.7738 -0.5355
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34157 10861SOL HW134155 5.767 3.932 0.295 0.3865 -0.7914 1.3332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34158 10861SOL HW234156 5.919 3.915 0.238 0.3729 1.5018 0.4965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34159 10862SOL OW34157 6.492 3.759 0.464 -0.3966 -0.2191 -0.7934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34160 10862SOL HW134158 6.487 3.764 0.365 0.9058 2.3333 -0.8027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34161 10862SOL HW234159 6.587 3.768 0.494 -0.5178 -2.8102 0.6763
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34162 10863SOL OW34160 6.670 4.289 1.402 -0.6794 -0.2217 0.0333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34163 10863SOL HW134161 6.641 4.209 1.349 4.6282 -1.2085 -2.0109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34164 10863SOL HW234162 6.630 4.284 1.494 -3.5927 -3.0460 -1.2033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34165 10864SOL OW34163 6.594 5.466 0.783 -0.2517 -0.4624 -0.0774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34166 10864SOL HW134164 6.625 5.508 0.697 1.8993 -1.0254 0.3572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34167 10864SOL HW234165 6.671 5.460 0.847 -1.9451 0.5374 2.1823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34168 10865SOL OW34166 5.943 4.925 0.764 -0.6356 -0.0947 -0.8746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34169 10865SOL HW134167 5.948 4.873 0.850 0.4880 -0.4134 -1.1220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34170 10865SOL HW234168 5.857 4.903 0.717 -1.3740 0.2559 0.2623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34171 10866SOL OW34169 6.967 5.588 0.594 -0.4565 -0.7636 -0.2946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34172 10866SOL HW134170 6.970 5.618 0.689 1.6599 -0.8398 -0.2840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34173 10866SOL HW234171 6.887 5.628 0.549 0.2898 2.0566 0.6363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34174 10867SOL OW34172 6.623 3.986 0.026 0.3467 -0.0000 -0.0077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34175 10867SOL HW134173 6.690 4.043 0.073 0.4113 -0.9763 1.1407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34176 10867SOL HW234174 6.658 3.959 -0.064 1.5705 -0.6109 0.6336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34177 10868SOL OW34175 5.525 4.216 1.369 0.2452 0.3067 -0.2715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34178 10868SOL HW134176 5.527 4.283 1.295 0.5536 -1.0013 -1.4880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34179 10868SOL HW234177 5.619 4.192 1.394 0.1862 1.5993 1.4117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34180 10869SOL OW34178 6.149 3.904 1.291 0.0940 -0.2205 0.2953
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34181 10869SOL HW134179 6.224 3.862 1.343 0.0102 -0.8357 -0.0770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34182 10869SOL HW234180 6.062 3.887 1.337 0.1567 0.3310 0.6263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34183 10870SOL OW34181 6.379 3.958 0.611 0.2964 -0.0845 0.4914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34184 10870SOL HW134182 6.385 4.029 0.540 -2.1831 -0.5796 -0.3254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34185 10870SOL HW234183 6.410 3.871 0.573 1.3593 0.1278 0.8416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34186 10871SOL OW34184 6.226 3.546 0.818 -0.8654 -0.1769 0.6168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34187 10871SOL HW134185 6.225 3.555 0.719 -1.6534 -2.2489 0.3780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34188 10871SOL HW234186 6.320 3.546 0.851 -0.6305 2.7617 0.1833
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34189 10872SOL OW34187 6.753 4.917 0.849 -0.2526 -1.0908 -0.1882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34190 10872SOL HW134188 6.712 4.836 0.807 2.2198 -3.7458 2.1810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34191 10872SOL HW234189 6.788 4.894 0.939 2.1577 2.2130 -0.1205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34192 10873SOL OW34190 6.952 3.925 0.936 0.1424 0.0563 0.1194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34193 10873SOL HW134191 6.912 3.840 0.971 -1.7085 0.4603 -0.8987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34194 10873SOL HW234192 7.036 3.903 0.886 0.6246 -0.9604 1.3089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34195 10874SOL OW34193 7.070 4.358 0.636 -0.2512 -0.2130 -0.0875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34196 10874SOL HW134194 7.146 4.355 0.701 -0.9732 0.3862 0.7954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34197 10874SOL HW234195 7.016 4.274 0.644 -0.0546 -0.3586 -0.2716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34198 10875SOL OW34196 5.981 5.029 0.267 0.2903 0.4250 -0.1058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34199 10875SOL HW134197 5.887 5.009 0.295 0.0669 1.4168 -0.0950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34200 10875SOL HW234198 6.011 4.962 0.199 0.5322 -1.5103 1.7667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34201 10876SOL OW34199 6.953 4.110 7.244 -0.0192 -0.0323 -0.0836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34202 10876SOL HW134200 6.908 4.136 7.330 -0.1254 1.5997 -0.6061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34203 10876SOL HW234201 6.986 4.015 7.251 0.9187 0.3817 2.1589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34204 10877SOL OW34202 6.004 4.108 0.357 0.4789 0.2378 0.1777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34205 10877SOL HW134203 6.074 4.050 0.314 1.3344 -1.3026 3.3066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34206 10877SOL HW234204 5.967 4.171 0.289 2.3300 -1.3035 -2.4905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34207 10878SOL OW34205 6.527 5.088 1.310 -0.0212 0.1495 0.5382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34208 10878SOL HW134206 6.468 5.008 1.294 1.1908 -0.3082 -2.3199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34209 10878SOL HW234207 6.621 5.058 1.323 0.2938 1.0514 0.4212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34210 10879SOL OW34208 7.137 5.050 1.509 -0.2047 0.1575 0.0778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34211 10879SOL HW134209 7.198 5.103 1.450 -0.3778 1.3206 0.8950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34212 10879SOL HW234210 7.171 5.053 1.603 -0.6797 -0.4894 0.2726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34213 10880SOL OW34211 6.585 5.209 1.053 -0.3307 -0.0854 0.1227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34214 10880SOL HW134212 6.573 5.174 1.146 1.7001 -0.5786 0.2433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34215 10880SOL HW234213 6.541 5.147 0.988 0.9186 -1.4481 0.5380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34216 10881SOL OW34214 7.146 4.684 1.314 0.1622 -0.0201 -0.4642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34217 10881SOL HW134215 7.228 4.719 1.359 0.3903 -1.8157 0.6346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34218 10881SOL HW234216 7.065 4.733 1.348 0.0279 -2.6898 3.8867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34219 10882SOL OW34217 6.398 3.814 1.414 0.0246 0.0610 0.3029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34220 10882SOL HW134218 6.423 3.744 1.347 0.3085 0.9410 -0.5225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34221 10882SOL HW234219 6.480 3.847 1.461 0.0000 0.4529 0.0757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34222 10883SOL OW34220 6.456 4.912 1.787 -0.0646 0.4189 0.2333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34223 10883SOL HW134221 6.387 4.904 1.859 0.1652 0.5148 0.4657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34224 10883SOL HW234222 6.488 4.821 1.762 0.2524 0.4143 0.6415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34225 10884SOL OW34223 6.080 4.504 0.501 -0.1680 0.1647 -0.3057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34226 10884SOL HW134224 6.122 4.566 0.568 0.9025 1.2109 -1.8758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34227 10884SOL HW234225 6.133 4.420 0.496 2.6694 1.8955 -3.0557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34228 10885SOL OW34226 6.093 4.435 1.263 0.0898 -0.0206 0.5473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34229 10885SOL HW134227 6.182 4.432 1.308 0.6856 -0.1291 -0.5863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34230 10885SOL HW234228 6.050 4.345 1.268 -0.5952 0.3726 2.2873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34231 10886SOL OW34229 6.801 3.906 1.276 0.3997 -0.1380 0.7156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34232 10886SOL HW134230 6.855 3.990 1.278 1.0696 -0.5142 -0.4793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34233 10886SOL HW234231 6.710 3.926 1.240 1.3529 -0.2879 -2.0227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34234 10887SOL OW34232 5.637 5.210 1.275 -0.2743 0.2627 -0.7845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34235 10887SOL HW134233 5.578 5.249 1.205 -0.1439 0.2236 -0.9162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34236 10887SOL HW234234 5.730 5.203 1.241 -0.2231 0.1801 -0.6317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34237 10888SOL OW34235 5.800 4.457 0.518 -0.1625 -0.1396 -0.4142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34238 10888SOL HW134236 5.899 4.439 0.520 -0.3645 -1.2908 1.2526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34239 10888SOL HW234237 5.759 4.408 0.442 0.2748 -1.3999 0.1354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34240 10889SOL OW34238 6.118 4.042 0.803 -0.0405 -0.0675 0.6632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34241 10889SOL HW134239 6.036 4.063 0.749 0.6247 0.3404 -0.1999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34242 10889SOL HW234240 6.188 4.003 0.744 0.3058 -0.6505 1.4496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34243 10890SOL OW34241 6.790 5.179 0.413 -0.0332 0.3760 0.3539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34244 10890SOL HW134242 6.872 5.208 0.462 -0.3820 -0.2990 1.3801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34245 10890SOL HW234243 6.709 5.216 0.460 -0.3333 0.7146 -0.4183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34246 10891SOL OW34244 6.861 5.313 1.340 0.1953 -0.6452 -0.2393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34247 10891SOL HW134245 6.955 5.330 1.309 -0.2553 -0.5274 -1.6028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34248 10891SOL HW234246 6.850 5.215 1.358 0.1623 -0.9103 -1.6090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34249 10892SOL OW34247 6.956 4.115 0.670 0.3488 -0.3709 -0.2939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34250 10892SOL HW134248 6.860 4.088 0.672 0.6072 -1.3362 -0.5375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34251 10892SOL HW234249 7.011 4.049 0.721 0.9689 -0.1695 -0.6817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34252 10893SOL OW34250 5.895 5.194 1.241 0.1298 0.6402 0.1569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34253 10893SOL HW134251 5.940 5.149 1.164 0.9835 2.2197 -0.3206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34254 10893SOL HW234252 5.959 5.259 1.283 -0.8861 1.0475 1.1156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34255 10894SOL OW34253 5.912 4.286 1.508 -0.1994 0.0350 -0.4289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34256 10894SOL HW134254 5.916 4.226 1.429 1.1909 0.3791 -0.6491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34257 10894SOL HW234255 5.999 4.283 1.557 -1.6721 -1.7504 2.3208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34258 10895SOL OW34256 0.021 4.473 1.700 0.4807 -0.5045 -0.4933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34259 10895SOL HW134257 -0.010 4.490 1.794 0.2827 0.7845 -0.7766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34260 10895SOL HW234258 0.029 4.560 1.651 0.9615 -1.1284 -1.5605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34261 10896SOL OW34259 6.506 3.850 1.756 -0.0103 -0.5966 0.3931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34262 10896SOL HW134260 6.556 3.922 1.707 0.4579 -0.3679 1.1814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34263 10896SOL HW234261 6.519 3.762 1.710 0.2921 -0.3625 0.0262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34264 10897SOL OW34262 5.806 3.642 1.827 -0.5755 0.6493 0.1214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34265 10897SOL HW134263 5.814 3.600 1.737 1.5339 1.7682 -0.2823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34266 10897SOL HW234264 5.782 3.739 1.816 1.9633 1.3887 0.5714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34267 10898SOL OW34265 6.446 4.458 1.125 0.2735 0.2067 0.6986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34268 10898SOL HW134266 6.394 4.436 1.207 -0.4047 -0.2928 0.1443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34269 10898SOL HW234267 6.414 4.402 1.049 -0.2093 1.7624 -0.3020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34270 10899SOL OW34268 6.877 4.718 1.013 -0.5577 0.3273 -0.1986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34271 10899SOL HW134269 6.860 4.648 1.082 1.1719 -0.7432 -0.7961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34272 10899SOL HW234270 6.880 4.675 0.922 0.8539 1.0899 -0.5409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34273 10900SOL OW34271 6.787 4.133 0.187 -0.3385 0.2655 0.0296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34274 10900SOL HW134272 6.750 4.075 0.260 -0.3937 -0.6199 -0.6733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34275 10900SOL HW234273 6.810 4.223 0.223 0.7327 -0.5220 1.3929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34276 10901SOL OW34274 5.619 3.917 1.173 0.2308 0.5179 0.1812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34277 10901SOL HW134275 5.626 3.928 1.272 -1.9320 -0.4548 0.4821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34278 10901SOL HW234276 5.630 3.821 1.149 -3.7897 -0.0811 0.0561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34279 10902SOL OW34277 5.557 4.961 1.294 -0.1371 -0.3355 -0.7963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34280 10902SOL HW134278 5.547 4.963 1.394 -0.0708 -0.1410 -0.7940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34281 10902SOL HW234279 5.588 5.050 1.262 0.4587 -0.5847 -0.9244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34282 10903SOL OW34280 6.287 4.265 0.982 0.3833 0.1761 -0.0013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34283 10903SOL HW134281 6.366 4.212 0.950 0.7498 1.3672 -1.1583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34284 10903SOL HW234282 6.220 4.273 0.908 -0.3193 0.1394 0.6162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34285 10904SOL OW34283 5.863 3.674 0.564 -0.0450 -0.1795 0.2876
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34286 10904SOL HW134284 5.845 3.768 0.593 -1.2382 -0.1106 -0.6102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34287 10904SOL HW234285 5.896 3.621 0.643 0.9737 1.0544 0.7220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34288 10905SOL OW34286 7.121 4.114 0.400 -0.1145 0.3603 0.7982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34289 10905SOL HW134287 7.067 4.187 0.359 -0.2170 -0.0187 0.2580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34290 10905SOL HW234288 7.086 4.096 0.492 -0.0207 1.0615 0.9800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34291 10906SOL OW34289 6.833 4.164 0.935 -0.0540 -0.4451 0.3525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34292 10906SOL HW134290 6.863 4.210 1.019 -0.9779 1.4778 -0.3033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34293 10906SOL HW234291 6.871 4.072 0.932 0.0694 -0.5567 2.8434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34294 10907SOL OW34292 6.266 5.236 1.902 -0.4944 -0.2982 0.1396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34295 10907SOL HW134293 6.189 5.286 1.942 1.9381 4.7889 -0.7394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34296 10907SOL HW234294 6.247 5.216 1.806 -1.9206 -2.2891 0.7706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34297 10908SOL OW34295 5.841 4.724 1.803 0.1913 0.2094 0.3507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34298 10908SOL HW134296 5.928 4.771 1.791 -0.4401 1.0822 -1.1246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34299 10908SOL HW234297 5.801 4.704 1.714 -0.3879 -1.6236 0.9749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34300 10909SOL OW34298 7.179 3.904 0.231 -0.1826 -0.0525 -0.7560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34301 10909SOL HW134299 7.203 3.952 0.146 1.2669 -0.1511 -0.4339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34302 10909SOL HW234300 7.141 3.969 0.296 0.8848 0.5061 -0.6643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34303 10910SOL OW34301 7.046 4.310 0.148 -0.0097 -0.0384 -0.4969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34304 10910SOL HW134302 7.143 4.321 0.169 0.0688 -2.4423 0.6719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34305 10910SOL HW234303 7.033 4.231 0.089 -1.1800 1.0968 -1.8476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34306 10911SOL OW34304 6.477 5.061 0.862 0.0383 0.5771 0.4190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34307 10911SOL HW134305 6.529 4.998 0.805 -0.1789 0.3139 0.5105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34308 10911SOL HW234306 6.485 5.154 0.825 -0.3819 0.3577 -0.2430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34309 10912SOL OW34307 6.045 4.534 1.025 0.0878 -0.6603 -0.0774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34310 10912SOL HW134308 6.060 4.523 1.123 -2.1572 -1.8873 0.1912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34311 10912SOL HW234309 6.109 4.475 0.975 0.3443 -1.0661 0.7071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34312 10913SOL OW34310 5.996 4.147 1.009 0.2941 0.4305 0.2644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34313 10913SOL HW134311 5.976 4.235 0.964 1.6193 0.2625 -0.7046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34314 10913SOL HW234312 6.037 4.085 0.943 1.0395 -0.3010 1.3921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34315 10914SOL OW34313 6.698 4.105 1.671 0.5059 -0.4359 0.3130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34316 10914SOL HW134314 6.678 4.188 1.723 0.6549 1.0331 -1.8448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34317 10914SOL HW234315 6.792 4.109 1.637 0.3357 -1.2395 -0.2781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34318 10915SOL OW34316 6.656 3.900 1.508 -0.1429 -0.2355 -0.0282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34319 10915SOL HW134317 6.661 3.981 1.567 -1.4139 -0.2016 0.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34320 10915SOL HW234318 6.717 3.912 1.430 0.6017 0.2755 0.6281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34321 10916SOL OW34319 5.673 4.782 0.097 0.4386 0.6316 0.8083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34322 10916SOL HW134320 5.594 4.730 0.066 -0.2033 1.0391 1.7532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34323 10916SOL HW234321 5.733 4.722 0.151 1.2827 0.0670 -0.6842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34324 10917SOL OW34322 5.520 5.525 0.787 0.1969 -0.1235 0.1299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34325 10917SOL HW134323 5.471 5.462 0.728 0.7231 -0.2050 -0.2283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34326 10917SOL HW234324 5.618 5.518 0.769 0.1620 2.4692 -1.6473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34327 10918SOL OW34325 6.172 5.136 0.837 0.1277 0.2473 0.4905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34328 10918SOL HW134326 6.260 5.174 0.812 -1.0831 1.7877 -1.7904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34329 10918SOL HW234327 6.145 5.066 0.771 -0.8444 0.6345 0.4476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34330 10919SOL OW34328 6.651 4.528 1.299 -0.2068 -0.4410 0.4369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34331 10919SOL HW134329 6.676 4.443 1.345 1.8938 -0.9103 -1.3732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34332 10919SOL HW234330 6.584 4.509 1.227 1.0169 -0.8256 -0.6523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34333 10920SOL OW34331 5.579 4.431 1.218 0.2128 -0.1598 0.9168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34334 10920SOL HW134332 5.652 4.468 1.276 -0.3590 1.6969 0.4955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34335 10920SOL HW234333 5.506 4.498 1.210 -0.2406 -0.8402 -1.0348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34336 10921SOL OW34334 5.718 4.417 1.629 -0.4493 0.0702 0.0110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34337 10921SOL HW134335 5.801 4.388 1.580 -1.0919 -0.5008 -0.7689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34338 10921SOL HW234336 5.693 4.509 1.601 1.6468 1.5567 2.5524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34339 10922SOL OW34337 6.763 4.660 1.507 -0.6888 -0.0987 0.5873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34340 10922SOL HW134338 6.805 4.749 1.488 -0.1449 -0.4522 0.0792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34341 10922SOL HW234339 6.721 4.624 1.423 -0.9550 -0.2984 0.8019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34342 10923SOL OW34340 6.444 4.114 0.391 -0.0360 0.3064 -0.1950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34343 10923SOL HW134341 6.502 4.035 0.369 0.3914 0.0644 1.6243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34344 10923SOL HW234342 6.501 4.194 0.404 -0.3648 0.6542 -0.8465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34345 10924SOL OW34343 5.749 5.303 1.673 0.3438 -0.0701 -0.5821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34346 10924SOL HW134344 5.682 5.272 1.741 -0.0472 -0.3738 -1.0898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34347 10924SOL HW234345 5.838 5.261 1.692 0.6777 1.1410 0.7118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34348 10925SOL OW34346 6.289 4.142 1.256 0.4682 -0.4460 0.1612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34349 10925SOL HW134347 6.213 4.078 1.266 -1.1852 1.5641 1.5926
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34350 10925SOL HW234348 6.285 4.185 1.166 -0.6009 0.1582 0.4715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34351 10926SOL OW34349 6.367 5.451 1.525 0.0905 -0.1029 -0.4577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34352 10926SOL HW134350 6.434 5.524 1.541 -1.9588 1.9294 -0.7309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34353 10926SOL HW234351 6.383 5.411 1.435 0.7951 0.4943 -0.6155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34354 10927SOL OW34352 5.615 4.058 0.320 0.2210 0.0183 0.6723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34355 10927SOL HW134353 5.559 4.000 0.380 -0.7400 1.8962 1.6712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34356 10927SOL HW234354 5.633 4.145 0.365 0.6172 0.9870 -1.2592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34357 10928SOL OW34355 5.630 4.894 1.602 -0.2671 -0.5355 -0.1144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34358 10928SOL HW134356 5.618 4.908 1.700 0.6865 0.3111 -0.1037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34359 10928SOL HW234357 5.602 4.801 1.578 -0.3205 -0.8167 0.9915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34360 10929SOL OW34358 6.935 4.905 1.219 0.2972 0.1042 -0.6804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34361 10929SOL HW134359 6.938 4.822 1.165 -1.2792 -0.5983 0.2298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34362 10929SOL HW234360 6.976 4.980 1.167 0.5448 -0.9411 -2.0572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34363 10930SOL OW34361 6.763 4.409 0.310 0.1685 0.1430 0.3734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34364 10930SOL HW134362 6.860 4.415 0.336 0.3212 -2.3549 0.6982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34365 10930SOL HW234363 6.735 4.494 0.266 3.3885 -0.1498 -2.7051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34366 10931SOL OW34364 7.239 5.455 1.044 0.1728 0.8171 0.1748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34367 10931SOL HW134365 7.279 5.388 0.981 -1.5855 -0.0180 -0.0885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34368 10931SOL HW234366 7.212 5.410 1.128 -1.8751 0.9669 -0.3585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34369 10932SOL OW34367 6.747 5.499 1.162 -0.4079 -0.5541 -0.8681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34370 10932SOL HW134368 6.773 5.465 1.072 -0.6437 -0.4776 -0.9665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34371 10932SOL HW234369 6.770 5.431 1.231 2.1857 0.4102 -0.6556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34372 10933SOL OW34370 5.733 4.832 1.143 -0.0844 0.3435 -0.2450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34373 10933SOL HW134371 5.671 4.877 1.207 -1.5793 -1.6422 -0.1612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34374 10933SOL HW234372 5.685 4.816 1.056 1.0939 0.7769 -1.0044
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34375 10934SOL OW34373 6.247 5.603 1.747 0.1087 -0.1899 0.0722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34376 10934SOL HW134374 6.168 5.588 1.687 0.7254 1.5725 -1.2709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34377 10934SOL HW234375 6.311 5.527 1.737 1.0662 0.8521 -3.0406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34378 10935SOL OW34376 6.929 3.812 7.242 0.3919 0.2869 0.4845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34379 10935SOL HW134377 7.021 3.800 7.205 -0.0490 -0.5092 -0.4184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34380 10935SOL HW234378 6.907 3.737 7.305 0.4142 0.5579 0.8113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34381 10936SOL OW34379 6.979 5.305 0.564 -0.0529 0.1506 0.0750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34382 10936SOL HW134380 7.074 5.289 0.592 0.4470 0.6338 -1.2451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34383 10936SOL HW234381 6.961 5.404 0.564 -0.3408 0.0977 -0.3580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34384 10937SOL OW34382 5.365 5.581 1.896 -0.1269 0.4983 -0.0965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34385 10937SOL HW134383 5.274 5.540 1.902 -0.8224 1.6544 -2.0124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34386 10937SOL HW234384 5.422 5.547 1.972 -1.7388 -1.1985 0.4267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34387 10938SOL OW34385 6.663 4.664 0.703 -0.6671 -0.1810 0.5323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34388 10938SOL HW134386 6.745 4.612 0.727 -0.1941 1.2926 2.4236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34389 10938SOL HW234387 6.591 4.602 0.675 1.1455 -1.5186 -1.5369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34390 10939SOL OW34388 6.231 4.927 1.575 -0.0322 0.2132 -0.0080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34391 10939SOL HW134389 6.252 5.024 1.590 -0.0490 0.3472 -0.8249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34392 10939SOL HW234390 6.158 4.919 1.507 -1.4459 -0.3065 1.4924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34393 10940SOL OW34391 6.268 5.173 0.231 -0.1764 0.3124 0.5368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34394 10940SOL HW134392 6.344 5.108 0.224 -1.5819 -1.4220 0.5982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34395 10940SOL HW234393 6.187 5.133 0.190 -0.7148 2.7763 -0.9769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34396 10941SOL OW34394 5.740 3.905 0.692 0.0629 0.6235 0.0801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34397 10941SOL HW134395 5.660 3.946 0.649 -1.3021 -2.1744 -0.2859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34398 10941SOL HW234396 5.739 3.924 0.790 0.2529 2.4883 -0.2356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34399 10942SOL OW34397 6.828 5.236 7.240 0.1598 -0.2831 -0.2664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34400 10942SOL HW134398 6.753 5.227 7.306 -0.4418 -0.1953 -0.9324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34401 10942SOL HW234399 6.812 5.176 7.162 1.1810 -0.8463 -0.0601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34402 10943SOL OW34400 6.371 4.708 1.475 0.1271 0.1163 -0.0735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34403 10943SOL HW134401 6.403 4.743 1.387 -0.3290 0.6588 -0.0327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34404 10943SOL HW234402 6.321 4.780 1.523 -1.7974 -0.8858 -0.4635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34405 10944SOL OW34403 6.494 4.390 0.400 0.2865 0.2813 -1.1104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34406 10944SOL HW134404 6.591 4.404 0.379 0.0663 0.0250 -2.3425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34407 10944SOL HW234405 6.477 4.417 0.495 2.0686 -1.9663 -0.0436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34408 10945SOL OW34406 7.103 5.265 0.065 0.1482 0.5319 -0.4775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34409 10945SOL HW134407 7.007 5.273 0.038 -0.3557 -1.0649 0.7378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34410 10945SOL HW234408 7.111 5.202 0.142 2.2485 0.1782 -0.9380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34411 10946SOL OW34409 5.848 5.009 1.467 0.2770 -0.5018 -0.0854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34412 10946SOL HW134410 5.840 5.073 1.391 -0.2628 -0.0348 0.3519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34413 10946SOL HW234411 5.760 4.966 1.485 0.2652 -0.1903 0.6284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34414 10947SOL OW34412 6.585 4.964 0.595 0.0809 -0.1802 -0.7070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34415 10947SOL HW134413 6.629 4.939 0.508 -0.9597 -0.2065 -1.2354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34416 10947SOL HW234414 6.635 5.040 0.637 0.6499 -0.2319 -1.2788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34417 10948SOL OW34415 6.457 3.833 1.031 0.1731 0.0084 0.1762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34418 10948SOL HW134416 6.363 3.867 1.026 0.6200 1.1781 -0.5847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34419 10948SOL HW234417 6.456 3.733 1.030 -0.9237 -0.0966 -3.7089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34420 10949SOL OW34418 6.070 5.147 0.519 -0.1732 0.2753 0.0527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34421 10949SOL HW134419 6.055 5.089 0.439 0.3350 0.2761 -0.0476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34422 10949SOL HW234420 5.984 5.190 0.546 -0.2748 0.5396 -0.6918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34423 10950SOL OW34421 5.753 4.976 0.381 -0.2510 -0.0080 -0.8490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34424 10950SOL HW134422 5.722 4.895 0.331 1.1790 -1.2566 0.1810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34425 10950SOL HW234423 5.739 4.961 0.479 0.1357 0.9610 -0.6353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34426 10951SOL OW34424 5.633 4.891 1.919 -0.5138 0.2917 0.1037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34427 10951SOL HW134425 5.546 4.842 1.916 0.5446 -1.6519 -1.4024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34428 10951SOL HW234426 5.708 4.826 1.908 1.0485 2.1196 -0.5587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34429 10952SOL OW34427 6.221 3.751 1.648 0.1059 0.2025 -0.2066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34430 10952SOL HW134428 6.296 3.796 1.600 -0.6553 0.3835 -1.2600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34431 10952SOL HW234429 6.241 3.749 1.746 1.1269 0.9262 -0.3820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34432 10953SOL OW34430 5.681 4.150 7.089 0.7991 -0.2754 -0.4027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34433 10953SOL HW134431 5.667 4.218 7.161 0.2918 0.2101 -0.9567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34434 10953SOL HW234432 5.778 4.147 7.065 0.9212 -0.2030 0.0612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34435 10954SOL OW34433 6.875 4.342 1.168 -0.2254 0.3012 0.0387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34436 10954SOL HW134434 6.835 4.415 1.223 0.9779 0.4867 0.7007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34437 10954SOL HW234435 6.970 4.365 1.146 -0.4931 -0.0704 -1.5913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34438 10955SOL OW34436 5.624 3.718 0.186 -0.2921 0.2690 0.3613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34439 10955SOL HW134437 5.574 3.778 0.124 0.9400 -0.3899 -1.3285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34440 10955SOL HW234438 5.709 3.761 0.214 -0.6608 0.4015 1.3153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34441 10956SOL OW34439 6.646 5.170 0.171 -0.0705 0.0665 -0.0003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34442 10956SOL HW134440 6.579 5.095 0.164 -0.7738 0.7002 -0.2538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34443 10956SOL HW234441 6.684 5.172 0.263 0.6609 -1.1848 -0.2498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34444 10957SOL OW34442 6.351 4.443 1.381 -0.1091 0.0873 0.0501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34445 10957SOL HW134443 6.381 4.531 1.418 -0.0793 0.1552 -0.1335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34446 10957SOL HW234444 6.370 4.371 1.448 -0.0211 0.2034 0.1514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34447 10958SOL OW34445 6.853 5.470 0.901 -0.2335 -0.3904 -0.0226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34448 10958SOL HW134446 6.924 5.535 0.875 0.6982 -0.5302 2.0356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34449 10958SOL HW234447 6.888 5.377 0.891 0.3401 -0.4417 2.1184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34450 10959SOL OW34448 6.128 4.198 1.701 0.2868 0.0942 0.7959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34451 10959SOL HW134449 6.106 4.253 1.782 -0.7940 0.6673 0.1415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34452 10959SOL HW234450 6.101 4.103 1.717 -1.9893 0.6050 0.3605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34453 10960SOL OW34451 6.948 4.861 1.559 0.1629 0.0147 0.2033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34454 10960SOL HW134452 7.016 4.927 1.527 -1.1090 0.9883 -0.5863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34455 10960SOL HW234453 6.951 4.856 1.659 2.6690 -1.4057 0.1400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34456 10961SOL OW34454 5.753 5.554 1.598 -0.0953 -0.5304 0.7946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34457 10961SOL HW134455 5.665 5.580 1.557 0.3829 -1.5267 -0.9797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34458 10961SOL HW234456 5.750 5.458 1.626 0.1056 -0.2805 1.7017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34459 10962SOL OW34457 7.122 4.454 1.141 0.4438 0.0948 0.7747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34460 10962SOL HW134458 7.185 4.378 1.159 1.4502 0.7102 -0.0134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34461 10962SOL HW234459 7.141 4.528 1.206 -0.8577 -0.4823 1.8558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34462 10963SOL OW34460 6.697 3.967 0.390 -0.6951 -0.6337 0.1553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34463 10963SOL HW134461 6.728 3.871 0.390 -1.0081 -0.7456 -1.0724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34464 10963SOL HW234462 6.688 3.998 0.485 -0.3560 -1.7420 0.5757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34465 10964SOL OW34463 6.118 4.328 0.766 -0.1141 -0.4362 -0.5502
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34466 10964SOL HW134464 6.152 4.315 0.674 -1.0675 2.7888 -1.5031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34467 10964SOL HW234465 6.019 4.314 0.768 -0.2981 0.7503 -0.3675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34468 10965SOL OW34466 0.033 4.734 1.651 -0.4033 0.2277 -0.1258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34469 10965SOL HW134467 -0.014 4.780 1.727 -0.4351 -0.0292 0.0082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34470 10965SOL HW234468 0.038 4.796 1.573 -0.2037 0.5587 0.1478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34471 10966SOL OW34469 6.440 4.955 0.201 0.4663 0.2612 -0.3308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34472 10966SOL HW134470 6.414 4.900 0.281 0.3578 -0.0017 -0.5469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34473 10966SOL HW234471 6.409 4.910 0.118 0.0135 0.8476 -0.4914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34474 10967SOL OW34472 6.298 5.400 1.033 0.0293 0.0504 0.2580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34475 10967SOL HW134473 6.219 5.457 1.009 2.4208 3.8077 0.5577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34476 10967SOL HW234474 6.330 5.352 0.952 -1.0117 0.5278 -0.4695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34477 10968SOL OW34475 6.394 4.608 0.869 -0.5045 -0.0827 -0.6102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34478 10968SOL HW134476 6.447 4.582 0.949 -0.5061 0.9759 -0.2431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34479 10968SOL HW234477 6.358 4.701 0.882 0.4419 0.5768 -2.2878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34480 10969SOL OW34478 6.697 4.616 0.139 -0.0736 0.2197 -0.0982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34481 10969SOL HW134479 6.624 4.582 0.081 -0.9057 0.2549 0.8958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34482 10969SOL HW234480 6.689 4.715 0.149 -0.4289 0.1172 0.7135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34483 10970SOL OW34481 0.083 5.063 0.953 0.2234 -0.2540 -0.2879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34484 10970SOL HW134482 -0.012 5.088 0.939 0.3805 0.1156 -0.6697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34485 10970SOL HW234483 0.089 4.966 0.980 -0.3998 0.2173 1.6990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34486 10971SOL OW34484 5.801 5.140 1.947 -0.4422 -0.6216 0.4115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34487 10971SOL HW134485 5.810 5.056 1.894 1.5936 0.1304 -0.5193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34488 10971SOL HW234486 5.712 5.182 1.927 -0.9920 -1.9371 -0.0103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34489 10972SOL OW34487 5.743 4.635 0.737 -0.3788 0.0135 0.5368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34490 10972SOL HW134488 5.770 4.603 0.828 0.7732 1.0079 0.5779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34491 10972SOL HW234489 5.776 4.571 0.667 1.1240 0.6063 0.6688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34492 10973SOL OW34490 6.229 5.231 1.613 0.3149 -0.2309 -0.0222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34493 10973SOL HW134491 6.129 5.235 1.608 0.3602 0.0881 -0.7421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34494 10973SOL HW234492 6.267 5.320 1.588 0.7347 0.1875 1.9199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34495 10974SOL OW34493 7.112 3.776 1.305 -0.1904 -0.2642 -0.2795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34496 10974SOL HW134494 7.118 3.682 1.271 -1.0424 -0.3673 -0.1625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34497 10974SOL HW234495 7.112 3.840 1.229 0.4521 -0.3547 -0.3574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34498 10975SOL OW34496 5.916 4.098 0.619 0.0885 -0.7400 -0.2710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34499 10975SOL HW134497 5.938 4.108 0.522 0.0566 -0.1443 -0.2183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34500 10975SOL HW234498 5.843 4.031 0.630 -0.2050 -0.4922 -0.6989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34501 10976SOL OW34499 5.979 4.174 1.280 -0.2548 0.0372 -0.0412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34502 10976SOL HW134500 5.982 4.085 1.326 -1.1514 0.2214 0.3963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34503 10976SOL HW234501 5.988 4.161 1.181 -0.7384 -0.5734 -0.0121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34504 10977SOL OW34502 6.248 5.340 0.560 -0.1597 0.3233 -0.1569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34505 10977SOL HW134503 6.223 5.435 0.542 -0.8751 0.5015 1.5670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34506 10977SOL HW234504 6.176 5.280 0.526 0.6255 0.3303 -1.8882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34507 10978SOL OW34505 6.825 3.719 1.057 -0.1335 0.2454 -0.2205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34508 10978SOL HW134506 6.833 3.619 1.061 -0.3214 0.2407 0.0286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34509 10978SOL HW234507 6.817 3.756 1.149 0.5460 0.5439 -0.2735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34510 10979SOL OW34508 6.474 3.638 1.243 -0.7107 -0.3579 -0.2244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34511 10979SOL HW134509 6.427 3.550 1.238 0.3902 -1.0125 0.7087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34512 10979SOL HW234510 6.571 3.624 1.261 -0.2828 1.0124 -1.3359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34513 10980SOL OW34511 6.385 4.782 0.423 -0.3132 0.4013 0.6073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34514 10980SOL HW134512 6.445 4.823 0.492 2.2854 -1.5598 -0.3080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34515 10980SOL HW234513 6.374 4.684 0.443 -0.9217 0.1675 -0.7880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34516 10981SOL OW34514 6.079 5.376 1.370 -0.1748 -0.6449 0.0024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34517 10981SOL HW134515 6.084 5.458 1.428 2.2837 0.0438 -1.0364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34518 10981SOL HW234516 6.165 5.325 1.378 -1.3316 -2.6788 -0.0656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34519 10982SOL OW34517 6.883 3.591 0.119 -0.4324 0.5294 -0.1232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34520 10982SOL HW134518 6.928 3.521 0.063 -3.0008 0.8038 -2.8032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34521 10982SOL HW234519 6.803 3.551 0.164 -0.5686 1.2150 0.2635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34522 10983SOL OW34520 6.702 4.042 0.668 0.0104 -0.3356 0.7158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34523 10983SOL HW134521 6.654 4.119 0.711 0.4044 0.6596 -0.5835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34524 10983SOL HW234522 6.670 3.957 0.709 -1.0247 0.4602 1.6322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34525 10984SOL OW34523 7.123 4.004 1.123 -0.2435 -0.4224 0.2615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34526 10984SOL HW134524 7.060 3.983 1.049 0.1212 -1.6793 0.2892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34527 10984SOL HW234525 7.092 4.087 1.171 -1.6062 -0.7492 -0.0125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34528 10985SOL OW34526 5.569 4.576 0.314 0.4004 0.3095 0.1078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34529 10985SOL HW134527 5.661 4.609 0.292 0.8429 -1.2338 -0.4322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34530 10985SOL HW234528 5.573 4.480 0.341 -1.1787 -0.1474 -1.1111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34531 10986SOL OW34529 6.200 5.443 0.235 0.0801 -0.4164 -0.2587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34532 10986SOL HW134530 6.241 5.468 0.148 2.2461 0.0568 0.8268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34533 10986SOL HW234531 6.238 5.357 0.267 -2.2189 -1.6836 -0.6788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34534 10987SOL OW34532 5.808 4.332 1.924 0.3110 0.7856 -0.3578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34535 10987SOL HW134533 5.749 4.272 1.978 0.6707 0.5576 -0.2172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34536 10987SOL HW234534 5.764 4.352 1.836 -0.8280 2.1123 0.4723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34537 10988SOL OW34535 5.668 4.060 2.742 -1.0593 0.2122 -0.0610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34538 10988SOL HW134536 5.585 4.059 2.798 -1.4285 -0.5166 -0.6020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34539 10988SOL HW234537 5.684 3.969 2.705 0.9778 -0.1091 1.4557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34540 10989SOL OW34538 5.493 3.902 2.381 -0.3820 -0.5100 -0.1991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34541 10989SOL HW134539 5.425 3.967 2.413 -0.5102 -0.2525 -0.9664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34542 10989SOL HW234540 5.532 3.853 2.459 0.7502 1.4927 0.5584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34543 10990SOL OW34541 5.893 4.847 2.935 -0.1023 0.5663 0.1239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34544 10990SOL HW134542 5.886 4.940 2.900 -0.4669 0.0475 -1.2384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34545 10990SOL HW234543 5.887 4.849 3.035 2.0811 2.1852 0.3025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34546 10991SOL OW34544 7.034 5.019 2.388 0.2026 0.3256 0.5025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34547 10991SOL HW134545 6.952 5.034 2.442 0.2762 3.8663 -0.1071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34548 10991SOL HW234546 7.025 5.067 2.300 2.5080 -0.0541 -0.0078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34549 10992SOL OW34547 6.722 4.360 2.545 0.4309 0.1892 -0.1112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34550 10992SOL HW134548 6.767 4.444 2.512 -0.7891 0.4712 -1.1298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34551 10992SOL HW234549 6.668 4.381 2.626 -0.3643 0.5362 -0.7212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34552 10993SOL OW34550 0.123 4.100 2.056 0.0107 0.0288 0.0962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34553 10993SOL HW134551 0.087 4.134 1.969 -0.1769 1.5935 0.7530
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34554 10993SOL HW234552 0.048 4.061 2.109 0.1679 -1.1568 -0.5252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34555 10994SOL OW34553 6.082 4.675 2.883 0.2764 0.6933 -0.4280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34556 10994SOL HW134554 6.008 4.743 2.891 -0.4486 0.1365 -2.0508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34557 10994SOL HW234555 6.154 4.712 2.825 0.8770 0.8727 0.4095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34558 10995SOL OW34556 6.450 4.433 3.704 0.1289 -0.5070 0.4300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34559 10995SOL HW134557 6.472 4.410 3.799 0.6073 1.6231 0.8969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34560 10995SOL HW234558 6.534 4.451 3.654 -0.1755 -0.5372 -0.0923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34561 10996SOL OW34559 6.168 4.586 2.529 0.7186 -0.0948 -0.3507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34562 10996SOL HW134560 6.266 4.569 2.543 1.1548 1.8549 -0.7761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34563 10996SOL HW234561 6.139 4.662 2.587 -0.1026 0.5581 -1.5726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34564 10997SOL OW34562 6.217 4.761 3.698 0.0830 -0.3034 0.2748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34565 10997SOL HW134563 6.250 4.845 3.741 1.0664 -0.2206 -0.6170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34566 10997SOL HW234564 6.157 4.784 3.621 0.2777 -0.4240 0.0872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34567 10998SOL OW34565 5.760 5.089 2.856 0.0127 -0.1425 0.1005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34568 10998SOL HW134566 5.677 5.033 2.854 0.3749 -0.7034 0.7966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34569 10998SOL HW234567 5.770 5.135 2.767 -1.8102 1.0786 0.4562
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34570 10999SOL OW34568 6.928 5.085 3.300 0.3933 0.3707 -0.0108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34571 10999SOL HW134569 6.947 5.074 3.398 -1.4687 1.9354 0.5740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34572 10999SOL HW234570 6.854 5.024 3.273 0.2579 0.6230 -0.2159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34573 11000SOL OW34571 5.904 3.916 3.319 -0.3118 -0.2049 0.3468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34574 11000SOL HW134572 5.998 3.883 3.304 -0.4758 -1.3218 1.6320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34575 11000SOL HW234573 5.877 3.898 3.413 -1.2164 1.7055 0.4952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34576 11001SOL OW34574 5.771 5.544 2.319 0.2758 -0.2557 -0.1675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34577 11001SOL HW134575 5.772 5.636 2.360 -1.7461 -0.8216 1.2568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34578 11001SOL HW234576 5.825 5.546 2.235 0.2093 2.2589 -0.2438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34579 11002SOL OW34577 6.604 4.944 3.610 -0.6493 -0.1948 -0.6674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34580 11002SOL HW134578 6.592 4.959 3.708 -0.7555 0.3887 -0.7646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34581 11002SOL HW234579 6.578 4.850 3.587 -0.0384 -0.5243 -0.0398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34582 11003SOL OW34580 5.607 5.314 2.316 -0.2164 -0.3587 0.1909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34583 11003SOL HW134581 5.674 5.388 2.325 -0.4313 -0.0949 -0.3501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34584 11003SOL HW234582 5.630 5.240 2.380 0.0972 0.0982 0.6079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34585 11004SOL OW34583 5.652 4.858 2.643 -0.1422 0.2494 0.2935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34586 11004SOL HW134584 5.649 4.759 2.656 1.6686 0.0997 -0.2699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34587 11004SOL HW234585 5.622 4.903 2.727 1.7278 -0.7684 1.5721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34588 11005SOL OW34586 6.097 5.423 3.335 0.5047 0.1531 -0.4643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34589 11005SOL HW134587 6.037 5.445 3.412 -1.1232 -1.4650 -1.2086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34590 11005SOL HW234588 6.129 5.508 3.293 -0.1542 1.0585 0.7914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34591 11006SOL OW34589 6.292 4.538 2.067 0.2922 0.2401 -0.0437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34592 11006SOL HW134590 6.233 4.585 2.133 0.1813 0.4271 -0.2750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34593 11006SOL HW234591 6.386 4.536 2.102 0.9040 3.1724 -1.2859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34594 11007SOL OW34592 7.132 3.726 3.374 0.1932 -0.1440 0.4591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34595 11007SOL HW134593 7.131 3.700 3.278 -0.4538 1.0191 0.1345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34596 11007SOL HW234594 7.093 3.818 3.385 -0.4834 -0.5626 1.9154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34597 11008SOL OW34595 5.618 4.137 2.298 0.1635 -0.2433 0.2140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34598 11008SOL HW134596 5.599 4.038 2.295 1.0054 -0.4252 0.6420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34599 11008SOL HW234597 5.668 4.159 2.382 1.5784 0.2539 -0.7258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34600 11009SOL OW34598 5.538 5.277 1.862 -0.2647 -0.5461 -0.1252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34601 11009SOL HW134599 5.451 5.229 1.847 -1.1585 1.2443 -0.8672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34602 11009SOL HW234600 5.524 5.351 1.928 0.0583 1.3382 -2.0767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34603 11010SOL OW34601 0.000 4.906 2.082 0.3698 0.2359 0.0126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34604 11010SOL HW134602 0.062 4.835 2.114 -1.0224 -0.2840 1.6755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34605 11010SOL HW234603 -0.059 4.869 2.010 -0.8097 -0.5666 1.3408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34606 11011SOL OW34604 5.543 4.409 3.287 -0.3092 -0.2901 -0.5537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34607 11011SOL HW134605 5.574 4.473 3.217 -1.4473 0.8796 -0.0283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34608 11011SOL HW234606 5.445 4.420 3.301 0.1742 0.9260 2.6005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34609 11012SOL OW34607 6.060 5.064 2.650 0.1252 0.7631 -0.1867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34610 11012SOL HW134608 6.012 4.993 2.599 -0.0689 0.9674 -0.2893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34611 11012SOL HW234609 6.062 5.148 2.597 0.1153 0.9147 0.0494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34612 11013SOL OW34610 6.700 4.932 3.223 -0.3117 0.8211 -0.0962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34613 11013SOL HW134611 6.677 4.867 3.150 1.4961 -0.6802 0.5886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34614 11013SOL HW234612 6.726 4.881 3.306 1.3371 2.4027 0.4117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34615 11014SOL OW34613 6.468 3.762 2.431 -0.4133 -1.3569 -0.1886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34616 11014SOL HW134614 6.509 3.806 2.351 1.7225 0.2341 1.6499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34617 11014SOL HW234615 6.375 3.796 2.443 0.2827 0.7347 -0.3126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34618 11015SOL OW34616 5.664 4.584 3.109 0.1836 -0.3503 -0.5299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34619 11015SOL HW134617 5.756 4.549 3.121 0.6137 0.6655 -0.7514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34620 11015SOL HW234618 5.639 4.581 3.012 -0.8193 -2.5049 -0.2785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34621 11016SOL OW34619 7.212 4.553 1.960 0.3469 0.0296 -0.0967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34622 11016SOL HW134620 7.144 4.506 2.016 0.8986 -1.0006 -0.2696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34623 11016SOL HW234621 7.284 4.590 2.019 -0.0725 0.6407 0.0350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34624 11017SOL OW34622 6.850 5.608 3.312 0.1409 0.1749 -0.2703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34625 11017SOL HW134623 6.886 5.607 3.219 -0.5659 -0.0356 -0.5421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34626 11017SOL HW234624 6.805 5.521 3.332 0.3372 0.1963 0.2914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34627 11018SOL OW34625 5.878 3.941 3.677 -0.1729 0.0348 -0.0068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34628 11018SOL HW134626 5.887 3.966 3.773 -0.5216 -0.2116 0.0940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34629 11018SOL HW234627 5.783 3.954 3.648 -0.0887 0.0290 -0.2959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34630 11019SOL OW34628 6.836 5.072 2.567 -0.0524 0.1114 0.3093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34631 11019SOL HW134629 6.840 5.134 2.646 0.6429 0.1788 0.2258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34632 11019SOL HW234630 6.825 4.978 2.599 -0.1014 0.1743 0.4770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34633 11020SOL OW34631 7.173 5.093 2.896 -0.5362 -0.5293 0.2811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34634 11020SOL HW134632 7.246 5.126 2.955 -0.4736 -1.8297 0.9759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34635 11020SOL HW234633 7.207 5.082 2.802 -0.1082 -0.2687 0.4057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34636 11021SOL OW34634 6.112 4.376 1.937 0.4138 -0.0464 0.0966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34637 11021SOL HW134635 6.168 4.459 1.941 -1.3346 1.1326 1.5265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34638 11021SOL HW234636 6.015 4.401 1.937 -0.1547 -2.0761 -0.4737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34639 11022SOL OW34637 6.834 3.963 2.733 -0.0929 -0.0986 0.5436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34640 11022SOL HW134638 6.760 3.911 2.689 0.7128 1.0361 -2.4473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34641 11022SOL HW234639 6.797 4.015 2.810 -2.6073 0.7642 -1.1084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34642 11023SOL OW34640 7.124 5.362 2.054 0.2005 -0.3540 0.5766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34643 11023SOL HW134641 7.157 5.456 2.054 -0.4909 -0.0801 -1.1712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34644 11023SOL HW234642 7.111 5.331 1.960 -1.8150 -1.3921 1.1423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34645 11024SOL OW34643 6.120 4.124 3.229 -0.4220 0.1050 0.0798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34646 11024SOL HW134644 6.165 4.051 3.281 0.2153 0.5646 0.1769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34647 11024SOL HW234645 6.100 4.091 3.137 -1.4416 -0.6711 0.5531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34648 11025SOL OW34646 6.970 4.187 3.255 -0.1668 0.1164 0.2126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34649 11025SOL HW134647 7.052 4.243 3.260 1.0500 -1.5713 -0.0822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34650 11025SOL HW234648 6.987 4.098 3.297 -1.7425 -0.4013 -0.1610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34651 11026SOL OW34649 6.500 4.576 3.358 0.4394 -0.1947 0.3142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34652 11026SOL HW134650 6.519 4.494 3.305 -1.3262 -0.9702 0.8074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34653 11026SOL HW234651 6.442 4.638 3.305 -1.8109 -1.2265 1.4234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34654 11027SOL OW34652 6.401 4.081 2.923 0.6122 -0.1109 0.1631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34655 11027SOL HW134653 6.311 4.043 2.944 -0.2255 1.9282 0.4873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34656 11027SOL HW234654 6.410 4.171 2.966 2.1428 0.4779 -1.2982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34657 11028SOL OW34655 6.619 4.310 2.290 -0.4365 -0.3891 -0.6184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34658 11028SOL HW134656 6.653 4.324 2.382 -2.9190 2.0852 0.0645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34659 11028SOL HW234657 6.541 4.247 2.292 -0.3822 -0.4751 -1.0589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34660 11029SOL OW34658 5.663 4.434 2.594 0.3998 -0.2333 0.5674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34661 11029SOL HW134659 5.702 4.483 2.516 -0.4739 -0.0006 0.2632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34662 11029SOL HW234660 5.575 4.475 2.618 0.7433 -0.1627 1.8139
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34663 11030SOL OW34661 5.673 5.472 3.431 0.3908 -0.5685 -0.9150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34664 11030SOL HW134662 5.601 5.473 3.500 0.3474 0.4492 -0.9581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34665 11030SOL HW234663 5.684 5.564 3.393 4.2675 0.3063 1.7575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34666 11031SOL OW34664 6.534 4.036 1.935 0.3498 -0.3404 0.3519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34667 11031SOL HW134665 6.619 4.080 1.905 0.7346 -1.3261 -0.0577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34668 11031SOL HW234666 6.513 3.959 1.875 0.2942 -1.3965 1.6634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34669 11032SOL OW34667 7.124 4.461 3.333 0.0631 0.0459 -0.8712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34670 11032SOL HW134668 7.140 4.542 3.276 -1.8138 1.7094 0.7817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34671 11032SOL HW234669 7.204 4.443 3.390 0.4126 0.9013 -1.0803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34672 11033SOL OW34670 6.770 4.687 2.171 -0.6405 -0.2921 0.2001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34673 11033SOL HW134671 6.795 4.638 2.088 0.6168 0.2787 0.2185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34674 11033SOL HW234672 6.774 4.786 2.155 -3.2605 -0.1043 0.1202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34675 11034SOL OW34673 5.949 3.951 2.381 -0.2918 0.2391 0.6904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34676 11034SOL HW134674 5.915 4.037 2.420 1.0264 0.7061 0.8506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34677 11034SOL HW234675 5.874 3.904 2.335 -0.7165 2.2122 -0.7379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34678 11035SOL OW34676 6.498 5.089 2.222 -0.1058 -0.2697 0.0394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34679 11035SOL HW134677 6.480 5.170 2.167 1.3684 -0.3852 -0.6458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34680 11035SOL HW234678 6.584 5.101 2.272 0.7273 -1.8050 -0.9312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34681 11036SOL OW34679 5.897 5.466 2.709 -0.3492 -0.3765 -0.0438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34682 11036SOL HW134680 5.873 5.375 2.676 0.4200 -1.0040 1.0810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34683 11036SOL HW234681 5.996 5.472 2.723 -0.1831 1.1159 -1.4736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34684 11037SOL OW34682 7.209 4.954 2.560 0.3426 0.4144 0.0770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34685 11037SOL HW134683 7.140 4.990 2.497 0.7668 -1.5123 -1.5831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34686 11037SOL HW234684 7.177 4.868 2.600 1.8139 -0.6772 -0.9533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34687 11038SOL OW34685 6.774 5.359 3.345 -0.2150 0.5508 -0.4027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34688 11038SOL HW134686 6.747 5.297 3.419 0.5596 1.5281 0.7370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34689 11038SOL HW234687 6.748 5.319 3.257 0.3808 -1.4543 0.2741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34690 11039SOL OW34688 6.096 4.593 2.251 0.1901 0.5169 0.2526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34691 11039SOL HW134689 6.126 4.601 2.346 0.3776 0.7072 0.1794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34692 11039SOL HW234690 6.034 4.515 2.241 0.4812 0.2623 0.4498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34693 11040SOL OW34691 7.068 4.459 2.460 -0.3266 0.2863 0.2215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34694 11040SOL HW134692 7.066 4.421 2.552 0.3804 0.3515 0.2645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34695 11040SOL HW234693 7.150 4.428 2.412 0.5451 2.1192 0.4244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34696 11041SOL OW34694 6.008 4.829 3.526 0.2866 0.0013 0.0342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34697 11041SOL HW134695 5.991 4.732 3.510 1.3850 -0.8304 3.1354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34698 11041SOL HW234696 5.921 4.878 3.530 -0.4456 -1.2968 0.7363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34699 11042SOL OW34697 6.734 5.279 2.034 0.2880 0.3376 0.7884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34700 11042SOL HW134698 6.646 5.235 2.049 -0.6405 1.9498 0.3861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34701 11042SOL HW234699 6.751 5.287 1.935 0.0493 1.5693 0.8345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34702 11043SOL OW34700 5.738 3.724 3.479 -0.2202 0.3830 0.1305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34703 11043SOL HW134701 5.704 3.811 3.516 -0.9406 0.1554 0.0178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34704 11043SOL HW234702 5.681 3.695 3.403 0.4666 0.1747 -0.3210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34705 11044SOL OW34703 5.886 5.528 2.077 -0.2290 0.0426 -0.4799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34706 11044SOL HW134704 5.953 5.590 2.036 0.4925 -0.7620 -0.5427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34707 11044SOL HW234705 5.916 5.434 2.066 0.1398 -0.2211 2.1205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34708 11045SOL OW34706 7.091 3.754 2.145 -0.2849 -0.3607 -0.1834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34709 11045SOL HW134707 7.036 3.694 2.087 -0.5060 -0.5312 0.1994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34710 11045SOL HW234708 7.126 3.704 2.224 -0.2418 -0.0587 -0.0053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34711 11046SOL OW34709 5.854 5.541 2.981 0.2653 0.0972 -0.1450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34712 11046SOL HW134710 5.910 5.462 3.007 -0.7864 -0.8331 -0.6156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34713 11046SOL HW234711 5.838 5.540 2.882 -3.1234 -1.4972 0.2661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34714 11047SOL OW34712 6.441 5.200 2.551 0.1873 0.2622 0.4005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34715 11047SOL HW134713 6.510 5.198 2.479 1.6818 0.3704 1.7625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34716 11047SOL HW234714 6.376 5.275 2.534 2.0691 1.9979 0.5171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34717 11048SOL OW34715 5.899 4.381 2.198 0.2540 -0.0154 0.1427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34718 11048SOL HW134716 5.949 4.298 2.221 -2.3160 -1.2156 1.7672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34719 11048SOL HW234717 5.867 4.376 2.103 -1.0557 -1.5703 0.6323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34720 11049SOL OW34718 6.986 3.957 3.400 -0.0044 0.0353 0.0928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34721 11049SOL HW134719 6.977 3.981 3.497 1.1111 -0.3455 0.3102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34722 11049SOL HW234720 6.930 3.877 3.380 -1.2456 0.8810 0.1110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34723 11050SOL OW34721 6.290 3.726 1.907 0.2801 -0.1316 0.3335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34724 11050SOL HW134722 6.388 3.745 1.916 0.3166 0.5858 -1.3123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34725 11050SOL HW234723 6.275 3.628 1.916 1.3257 -0.4047 -0.6277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34726 11051SOL OW34724 6.190 4.127 3.591 -0.0009 0.3011 0.8324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34727 11051SOL HW134725 6.221 4.088 3.677 -1.1178 -0.7992 0.7593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34728 11051SOL HW234726 6.096 4.098 3.572 -0.6905 2.5172 0.4445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34729 11052SOL OW34727 6.591 5.217 2.771 -0.2693 -0.5551 -0.6791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34730 11052SOL HW134728 6.541 5.179 2.693 0.4857 -1.2755 -0.8350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34731 11052SOL HW234729 6.543 5.193 2.856 -0.3844 -0.9214 -0.8452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34732 11053SOL OW34730 6.780 4.308 3.105 0.2542 0.1690 0.1665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34733 11053SOL HW134731 6.859 4.276 3.157 1.7447 0.9268 -1.5185
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34734 11053SOL HW234732 6.780 4.408 3.104 -0.1678 0.1663 -0.6602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34735 11054SOL OW34733 6.257 4.831 2.706 -0.0575 0.1222 -0.7567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34736 11054SOL HW134734 6.337 4.883 2.678 1.0852 -0.6418 0.9333
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34737 11054SOL HW234735 6.180 4.894 2.719 1.1283 1.3639 0.6794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34738 11055SOL OW34736 6.366 4.218 2.565 0.3271 0.5244 -0.0544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34739 11055SOL HW134737 6.364 4.201 2.466 0.1726 0.2464 -0.0048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34740 11055SOL HW234738 6.390 4.133 2.613 1.0406 0.8066 0.1120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34741 11056SOL OW34739 6.223 3.879 2.399 -0.0979 0.2203 0.6260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34742 11056SOL HW134740 6.128 3.903 2.377 0.6773 1.3101 -1.8451
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34743 11056SOL HW234741 6.261 3.949 2.460 -0.4611 0.5799 0.4441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34744 11057SOL OW34742 6.867 4.848 1.818 -0.0962 0.6299 0.0550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34745 11057SOL HW134743 6.831 4.775 1.876 1.0343 -1.7602 -2.0030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34746 11057SOL HW234744 6.794 4.911 1.794 -1.6565 -1.0106 0.2751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34747 11058SOL OW34745 5.661 4.132 2.022 0.4697 -0.4639 -0.4791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34748 11058SOL HW134746 5.572 4.099 1.990 1.3507 -2.9837 -0.5809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34749 11058SOL HW234747 5.668 4.117 2.121 0.3031 0.9962 -0.2276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34750 11059SOL OW34748 6.543 3.953 2.215 0.2158 -0.1250 0.0088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34751 11059SOL HW134749 6.540 3.929 2.118 -2.9516 1.3726 -0.3847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34752 11059SOL HW234750 6.634 3.989 2.237 0.4388 1.5106 -2.9580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34753 11060SOL OW34751 6.560 4.363 3.234 -0.0922 0.7288 0.0556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34754 11060SOL HW134752 6.542 4.285 3.294 -0.3196 0.4222 -0.4125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34755 11060SOL HW234753 6.638 4.342 3.175 -1.4078 0.0494 -1.4882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34756 11061SOL OW34754 6.679 5.184 2.392 -0.3089 0.3560 0.2800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34757 11061SOL HW134755 6.691 5.283 2.393 1.7295 0.1477 1.7710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34758 11061SOL HW234756 6.744 5.142 2.455 -1.8060 -1.8812 0.4294
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34759 11062SOL OW34757 5.934 4.814 2.545 -0.2073 -0.0840 0.0878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34760 11062SOL HW134758 5.847 4.841 2.587 0.2532 0.8092 0.4920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34761 11062SOL HW234759 5.918 4.738 2.483 -0.8648 -1.7137 2.1274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34762 11063SOL OW34760 6.613 5.468 2.396 -0.2487 0.1878 0.4770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34763 11063SOL HW134761 6.543 5.496 2.330 -0.6212 1.9125 1.5432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34764 11063SOL HW234762 6.703 5.501 2.366 -0.0469 -0.9907 -0.2806
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34765 11064SOL OW34763 6.672 4.293 1.859 0.5991 -0.3615 -0.1982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34766 11064SOL HW134764 6.576 4.322 1.854 0.8055 0.0757 -2.2872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34767 11064SOL HW234765 6.723 4.330 1.781 2.3179 -1.2038 0.4645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34768 11065SOL OW34766 5.674 4.166 3.302 -0.3689 0.3260 -0.0283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34769 11065SOL HW134767 5.729 4.139 3.223 -1.7857 -1.9468 -0.3239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34770 11065SOL HW234768 5.647 4.262 3.293 -0.3765 0.1641 -2.2636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34771 11066SOL OW34769 5.915 3.832 2.891 -0.6754 -0.5347 -0.0681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34772 11066SOL HW134770 5.863 3.748 2.905 2.9667 -3.1980 -1.1413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34773 11066SOL HW234771 5.925 3.848 2.792 -1.4719 1.3505 0.1160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34774 11067SOL OW34772 6.382 4.158 2.301 0.2471 -0.1622 0.3209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34775 11067SOL HW134773 6.347 4.198 2.217 -0.1592 -0.1492 0.4975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34776 11067SOL HW234774 6.424 4.070 2.281 0.5140 0.0250 0.0432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34777 11068SOL OW34775 6.648 3.784 2.621 -0.2524 -0.3492 0.5203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34778 11068SOL HW134776 6.566 3.759 2.570 0.2335 -1.7200 0.3771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34779 11068SOL HW234777 6.658 3.725 2.701 1.2018 -1.0132 -0.1034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34780 11069SOL OW34778 6.869 4.840 2.709 -0.2149 -0.0692 -0.4235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34781 11069SOL HW134779 6.894 4.864 2.803 -0.0024 -0.1778 -0.4509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34782 11069SOL HW234780 6.845 4.743 2.706 1.2731 -0.4631 -0.7657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34783 11070SOL OW34781 7.026 4.379 2.729 -0.1763 -0.1093 0.1649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34784 11070SOL HW134782 7.015 4.291 2.681 1.2619 -0.4528 0.4029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34785 11070SOL HW234783 7.081 4.365 2.811 -0.2192 0.9705 0.3848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34786 11071SOL OW34784 0.006 4.359 2.314 0.7094 -0.1736 -0.0720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34787 11071SOL HW134785 0.089 4.367 2.371 1.6151 -1.5861 -1.1379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34788 11071SOL HW234786 0.032 4.352 2.218 -0.8009 2.0633 -0.7206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34789 11072SOL OW34787 5.801 5.000 2.218 -0.2736 -0.4399 0.8881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34790 11072SOL HW134788 5.770 4.906 2.201 1.0167 -1.0723 1.7989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34791 11072SOL HW234789 5.805 5.050 2.132 1.1692 -1.9251 0.0260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34792 11073SOL OW34790 6.985 4.199 1.876 0.1427 0.0460 0.0342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34793 11073SOL HW134791 6.927 4.240 1.947 1.4250 0.5569 0.8292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34794 11073SOL HW234792 7.081 4.208 1.903 0.5968 -0.8081 -1.2306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34795 11074SOL OW34793 6.066 3.831 2.037 -0.2794 0.1613 -0.4107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34796 11074SOL HW134794 6.142 3.796 1.982 0.7640 3.0467 -1.0144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34797 11074SOL HW234795 6.021 3.905 1.987 -0.2089 1.9477 1.9894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34798 11075SOL OW34796 6.499 5.122 3.005 -0.2878 -1.1644 -0.3794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34799 11075SOL HW134797 6.409 5.082 3.023 -0.2081 -0.7655 0.9999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34800 11075SOL HW234798 6.557 5.110 3.085 0.2209 0.4178 -0.4856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34801 11076SOL OW34799 7.090 5.082 3.582 -0.1812 -0.5915 -0.0943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34802 11076SOL HW134800 7.186 5.109 3.573 -0.4561 0.0499 -1.2340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34803 11076SOL HW234801 7.084 4.983 3.595 0.6969 -0.4852 1.4574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34804 11077SOL OW34802 6.598 4.889 2.889 0.0078 0.5455 -0.3158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34805 11077SOL HW134803 6.537 4.966 2.907 -0.1868 0.6208 -1.2367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34806 11077SOL HW234804 6.626 4.891 2.793 0.3524 -0.2843 -0.2395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34807 11078SOL OW34805 7.235 4.826 2.957 0.4109 -0.4059 -0.4946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34808 11078SOL HW134806 7.187 4.739 2.945 -0.0567 -0.0941 -0.9414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34809 11078SOL HW234807 7.179 4.900 2.919 -0.5401 0.4949 2.3878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34810 11079SOL OW34808 6.405 3.803 3.143 -0.2725 0.8094 0.0462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34811 11079SOL HW134809 6.365 3.799 3.052 1.8630 2.9096 -1.0832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34812 11079SOL HW234810 6.500 3.832 3.137 -0.2022 1.5029 2.9891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34813 11080SOL OW34811 6.476 4.723 3.602 -0.4360 0.4212 -0.3937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34814 11080SOL HW134812 6.383 4.731 3.638 0.1937 -0.4275 1.6129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34815 11080SOL HW234813 6.477 4.657 3.527 -1.3425 -0.2244 0.1329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34816 11081SOL OW34814 6.427 4.713 2.366 0.4118 0.3763 -0.5372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34817 11081SOL HW134815 6.428 4.659 2.450 -1.3462 1.5012 0.2678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34818 11081SOL HW234816 6.448 4.654 2.288 0.1914 -1.0930 0.4742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34819 11082SOL OW34817 5.922 4.528 3.144 0.6932 0.0374 -0.6523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34820 11082SOL HW134818 5.905 4.432 3.121 -4.2592 0.0212 1.6862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34821 11082SOL HW234819 5.957 4.535 3.237 -0.9924 0.4205 -0.0066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34822 11083SOL OW34820 6.690 4.076 2.944 -0.1512 0.2319 0.3251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34823 11083SOL HW134821 6.743 4.159 2.958 -0.4102 0.6647 -1.0984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34824 11083SOL HW234822 6.594 4.100 2.927 -0.3356 -0.3912 0.4558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34825 11084SOL OW34823 5.639 5.195 3.357 -0.2956 0.1508 0.3311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34826 11084SOL HW134824 5.659 5.289 3.384 -0.2149 -0.0653 1.0539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34827 11084SOL HW234825 5.693 5.170 3.277 1.2985 0.0292 1.4084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34828 11085SOL OW34826 5.681 4.770 2.226 -0.2201 0.4708 0.2097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34829 11085SOL HW134827 5.719 4.733 2.310 -1.4132 0.5720 0.8236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34830 11085SOL HW234828 5.661 4.695 2.163 0.7462 0.4009 -0.0299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34831 11086SOL OW34829 6.017 4.371 2.561 -0.1139 0.4814 0.3110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34832 11086SOL HW134830 6.097 4.431 2.565 -0.5925 1.1390 0.3140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34833 11086SOL HW234831 6.009 4.321 2.647 -1.7839 3.2291 1.9300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34834 11087SOL OW34832 6.776 4.968 2.187 0.5644 -0.0240 -0.8216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34835 11087SOL HW134833 6.812 5.060 2.204 0.5258 -0.1121 -0.2306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34836 11087SOL HW234834 6.749 4.927 2.274 2.0238 -1.2006 -0.8856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34837 11088SOL OW34835 6.906 4.945 2.967 -0.0921 -0.6791 -0.3565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34838 11088SOL HW134836 6.851 4.966 3.047 1.3976 -1.1070 0.8323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34839 11088SOL HW234837 6.963 5.024 2.943 -0.6713 -0.4845 -1.1262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34840 11089SOL OW34838 7.137 4.130 2.403 0.4417 0.3873 0.0869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34841 11089SOL HW134839 7.083 4.123 2.486 0.9142 -0.5965 0.3259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34842 11089SOL HW234840 7.162 4.226 2.387 0.3264 0.5884 1.0542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34843 11090SOL OW34841 5.768 5.178 3.114 0.3144 0.2449 0.4581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34844 11090SOL HW134842 5.758 5.144 3.021 0.5102 2.1793 -0.3335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34845 11090SOL HW234843 5.854 5.229 3.121 0.2434 0.2136 1.6554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34846 11091SOL OW34844 5.942 4.193 3.418 0.4193 0.4345 -0.5857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34847 11091SOL HW134845 5.860 4.140 3.398 1.9513 -2.5453 0.3610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34848 11091SOL HW234846 6.007 4.184 3.343 1.4666 -0.7157 0.4309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34849 11092SOL OW34847 6.879 4.766 3.364 -0.9978 -0.5360 0.4511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34850 11092SOL HW134848 6.831 4.678 3.370 -1.5536 -0.1968 1.1042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34851 11092SOL HW234849 6.965 4.753 3.314 -1.0613 -1.4547 0.5492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34852 11093SOL OW34850 6.534 3.895 3.504 0.0602 0.5949 -0.5505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34853 11093SOL HW134851 6.593 3.939 3.436 -0.5359 0.3830 -1.2164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34854 11093SOL HW234852 6.586 3.878 3.587 1.3432 -0.8524 -1.5981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34855 11094SOL OW34853 6.029 3.717 3.673 -0.0875 -0.4589 -0.4768
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34856 11094SOL HW134854 5.978 3.649 3.621 -1.6293 -0.2240 0.6543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34857 11094SOL HW234855 5.978 3.803 3.674 1.6273 0.6474 -1.5366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34858 11095SOL OW34856 6.182 4.422 2.923 -0.0824 -0.2500 -0.1189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34859 11095SOL HW134857 6.140 4.510 2.901 0.3561 0.0994 0.3935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34860 11095SOL HW234858 6.166 4.401 3.020 0.7002 -0.2240 0.0247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34861 11096SOL OW34859 6.820 4.574 2.787 0.9013 -0.4678 -0.3676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34862 11096SOL HW134860 6.745 4.554 2.850 0.3308 0.3023 -0.7990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34863 11096SOL HW234861 6.846 4.490 2.739 -0.4893 -0.5095 -1.0987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34864 11097SOL OW34862 6.829 4.254 2.084 -0.1189 -0.3272 -0.3001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34865 11097SOL HW134863 6.760 4.297 2.026 -0.3261 -0.2080 0.0334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34866 11097SOL HW234864 6.787 4.226 2.171 0.2722 -0.1799 -0.0635
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34867 11098SOL OW34865 5.758 3.944 3.102 0.2209 0.4081 0.3054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34868 11098SOL HW134866 5.797 3.946 3.194 -0.6118 1.6976 0.6558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34869 11098SOL HW234867 5.812 3.882 3.045 1.3757 0.3770 1.3760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34870 11099SOL OW34868 5.471 5.070 3.156 0.0654 -0.0819 0.2820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34871 11099SOL HW134869 5.387 5.124 3.163 0.4341 0.3816 1.3552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34872 11099SOL HW234870 5.521 5.073 3.243 0.2273 -1.9685 0.3041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34873 11100SOL OW34871 6.168 4.232 2.762 -0.0898 -0.4321 -0.0314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34874 11100SOL HW134872 6.230 4.238 2.684 -2.4722 -0.4849 -2.0475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34875 11100SOL HW234873 6.184 4.310 2.823 2.2939 -0.7622 -0.1119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34876 11101SOL OW34874 5.760 3.804 2.288 -0.0145 -0.1774 0.1700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34877 11101SOL HW134875 5.671 3.791 2.330 -0.4425 -1.5610 -1.0584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34878 11101SOL HW234876 5.788 3.719 2.242 0.4107 1.2063 -2.3066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34879 11102SOL OW34877 7.149 4.008 2.167 0.3908 0.3442 -0.1405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34880 11102SOL HW134878 7.113 3.915 2.155 1.2516 -0.1812 1.0626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34881 11102SOL HW234879 7.121 4.043 2.257 1.8871 0.3589 0.3433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34882 11103SOL OW34880 6.532 4.381 2.733 0.5215 0.8063 0.5772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34883 11103SOL HW134881 6.494 4.355 2.822 0.0603 1.4887 0.5836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34884 11103SOL HW234882 6.495 4.321 2.663 -0.6141 1.4821 0.5787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34885 11104SOL OW34883 6.376 5.057 3.540 0.3162 -0.5282 0.3097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34886 11104SOL HW134884 6.389 5.151 3.507 -1.1589 -0.5244 -0.3640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34887 11104SOL HW234885 6.458 5.004 3.521 0.9006 0.4390 0.0195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34888 11105SOL OW34886 5.996 4.499 3.450 -0.2230 0.1566 0.6998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34889 11105SOL HW134887 6.092 4.508 3.479 0.6018 -1.4802 -1.2418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34890 11105SOL HW234888 5.966 4.405 3.466 -0.8763 0.1621 -0.4383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34891 11106SOL OW34889 7.107 3.885 1.893 0.4945 0.5104 0.1408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34892 11106SOL HW134890 7.090 3.835 1.978 1.8093 -0.3312 -0.0598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34893 11106SOL HW234891 7.204 3.910 1.888 0.8583 -1.0897 -1.9307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34894 11107SOL OW34892 6.811 4.408 1.660 -0.2929 0.2060 -0.1161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34895 11107SOL HW134893 6.885 4.341 1.655 -1.4897 -1.0391 -2.4853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34896 11107SOL HW234894 6.828 4.481 1.594 -0.0284 1.2170 1.0269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34897 11108SOL OW34895 6.499 4.948 2.605 0.1170 -0.1579 0.1985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34898 11108SOL HW134896 6.564 4.893 2.552 -1.3919 -2.2281 0.3515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34899 11108SOL HW234897 6.473 5.029 2.553 0.9084 -0.6046 -0.9291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34900 11109SOL OW34898 5.749 4.616 2.826 0.1777 -0.2066 0.4870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34901 11109SOL HW134899 5.799 4.531 2.810 -0.7840 -0.7733 0.4520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34902 11109SOL HW234900 5.808 4.679 2.877 1.3799 -0.3642 -0.6480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34903 11110SOL OW34901 5.775 4.297 2.811 0.1544 0.4776 -0.2868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34904 11110SOL HW134902 5.750 4.200 2.807 -1.8614 0.7691 2.3169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34905 11110SOL HW234903 5.738 4.344 2.731 -0.1086 -0.6402 -0.8441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34906 11111SOL OW34904 6.689 4.091 3.338 -0.8192 0.0983 0.0906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34907 11111SOL HW134905 6.634 4.152 3.395 -1.5303 2.4130 -2.8078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34908 11111SOL HW234906 6.771 4.139 3.307 -0.6289 -0.9352 -1.1105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34909 11112SOL OW34907 6.649 3.891 3.140 0.1722 -0.0510 -0.4350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34910 11112SOL HW134908 6.681 3.951 3.213 0.4310 -0.7478 0.0375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34911 11112SOL HW234909 6.654 3.939 3.052 0.4348 0.5877 -0.0762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34912 11113SOL OW34910 5.387 4.782 1.860 0.1986 -0.0804 -0.1422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34913 11113SOL HW134911 5.309 4.791 1.922 -0.5921 0.4214 -1.1776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34914 11113SOL HW234912 5.428 4.691 1.870 1.5686 0.7356 2.7643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34915 11114SOL OW34913 5.647 5.586 2.627 -0.0668 -0.3736 0.1512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34916 11114SOL HW134914 5.575 5.519 2.646 0.6164 -0.6998 1.7414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34917 11114SOL HW234915 5.737 5.540 2.632 0.4530 0.7569 1.9051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34918 11115SOL OW34916 5.793 5.247 2.576 -0.4684 -0.2180 -0.0525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34919 11115SOL HW134917 5.737 5.181 2.525 -2.2921 1.2566 -0.0987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34920 11115SOL HW234918 5.881 5.258 2.531 -1.9457 0.9279 -2.9519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34921 11116SOL OW34919 6.440 4.342 3.001 -0.7151 -0.5088 -0.1217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34922 11116SOL HW134920 6.349 4.383 3.001 -1.3830 -1.9576 -0.1099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34923 11116SOL HW234921 6.483 4.358 3.090 -1.4305 -0.8421 0.2915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34924 11117SOL OW34922 5.518 4.280 2.926 0.0854 0.0438 -0.2452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34925 11117SOL HW134923 5.611 4.293 2.892 -0.4458 -1.2507 -2.3726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34926 11117SOL HW234924 5.514 4.200 2.985 0.4028 0.3331 0.1651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34927 11118SOL OW34925 5.758 4.365 3.550 0.2502 -0.3557 0.0244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34928 11118SOL HW134926 5.827 4.294 3.535 1.5546 0.5300 1.5673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34929 11118SOL HW234927 5.676 4.343 3.497 1.2289 -2.1100 -0.8542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34930 11119SOL OW34928 6.774 4.513 3.374 0.0284 0.2104 -0.1353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34931 11119SOL HW134929 6.681 4.484 3.352 0.7579 -2.2181 -0.3196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34932 11119SOL HW234930 6.831 4.509 3.291 0.7174 -0.1479 0.3462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34933 11120SOL OW34931 6.284 4.170 2.045 0.1424 0.1121 0.1790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34934 11120SOL HW134932 6.372 4.126 2.025 -0.1941 0.2033 -1.7599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34935 11120SOL HW234933 6.276 4.253 1.991 -0.1606 1.4231 2.1536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34936 11121SOL OW34934 5.832 5.276 3.722 0.2681 0.4940 -0.3089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34937 11121SOL HW134935 5.766 5.329 3.775 -0.3366 2.1290 -2.5304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34938 11121SOL HW234936 5.793 5.186 3.700 0.4056 -0.0793 1.6350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34939 11122SOL OW34937 6.082 4.042 2.956 0.2448 0.0545 -0.2558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34940 11122SOL HW134938 6.026 3.963 2.933 -0.1613 0.8454 -2.1265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34941 11122SOL HW234939 6.085 4.106 2.879 1.1519 1.5384 0.9288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34942 11123SOL OW34940 6.380 5.300 3.398 0.1281 -0.2822 0.0637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34943 11123SOL HW134941 6.284 5.315 3.371 0.0299 0.1074 0.6210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34944 11123SOL HW234942 6.439 5.309 3.318 -0.1770 0.6666 -0.0574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34945 11124SOL OW34943 5.941 4.044 1.916 0.2612 -0.3662 -0.6865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34946 11124SOL HW134944 5.932 4.123 1.855 -2.5810 -0.0184 0.0632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34947 11124SOL HW234945 5.937 4.075 2.011 -1.1241 -1.3844 -0.3875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34948 11125SOL OW34946 5.645 4.798 3.285 0.7161 0.9756 0.7779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34949 11125SOL HW134947 5.696 4.763 3.364 -1.2451 -3.1456 0.4828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34950 11125SOL HW234948 5.667 4.743 3.204 -0.7638 2.1111 -0.4604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34951 11126SOL OW34949 6.623 4.664 3.036 0.2514 0.2019 0.7415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34952 11126SOL HW134950 6.535 4.644 3.079 -0.5090 0.3390 -0.7002
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34953 11126SOL HW234951 6.611 4.736 2.967 0.9124 -1.6737 -1.4311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34954 11127SOL OW34952 7.025 4.475 2.139 0.5595 0.3907 -0.6267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34955 11127SOL HW134953 6.962 4.400 2.120 1.7012 -0.5803 -0.7172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34956 11127SOL HW234954 7.054 4.470 2.235 -0.9479 1.9880 -0.0389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34957 11128SOL OW34955 7.130 5.403 3.038 -0.0062 -0.1995 0.1493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34958 11128SOL HW134956 7.215 5.406 2.986 -0.0734 -2.5177 -0.1994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34959 11128SOL HW234957 7.146 5.356 3.125 -0.4997 1.2262 1.0412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34960 11129SOL OW34958 6.914 5.240 3.088 -0.1647 0.0622 -0.5491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34961 11129SOL HW134959 7.000 5.290 3.074 -0.1996 1.0507 2.1464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34962 11129SOL HW234960 6.928 5.170 3.158 -1.4979 0.0468 -0.2844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34963 11130SOL OW34961 5.556 4.917 2.922 0.5627 -0.0833 0.3792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34964 11130SOL HW134962 5.545 4.970 3.006 -1.2050 -0.5839 0.5187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34965 11130SOL HW234963 5.472 4.865 2.905 0.5524 0.6290 -2.1302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34966 11131SOL OW34964 6.274 5.427 3.630 0.0168 -0.3953 0.0802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34967 11131SOL HW134965 6.209 5.503 3.628 1.3040 0.7687 0.6409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34968 11131SOL HW234966 6.315 5.415 3.539 -1.3550 -1.5308 -0.4388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34969 11132SOL OW34967 6.944 5.211 2.179 0.2213 -0.2865 -0.1935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34970 11132SOL HW134968 7.024 5.253 2.136 0.7928 -0.9724 0.1690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34971 11132SOL HW234969 6.861 5.239 2.130 0.7426 -0.0667 -0.9739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34972 11133SOL OW34970 5.532 5.519 3.657 -0.4435 0.0032 0.2344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34973 11133SOL HW134971 5.497 5.436 3.700 0.9099 0.0522 1.5101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34974 11133SOL HW234972 5.618 5.546 3.701 0.2944 0.8508 -1.6192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34975 11134SOL OW34973 6.825 4.579 2.423 -0.1358 0.6039 0.2025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34976 11134SOL HW134974 6.919 4.546 2.434 -0.8268 -1.3238 0.6017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34977 11134SOL HW234975 6.813 4.612 2.329 1.2540 2.0863 0.4861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34978 11135SOL OW34976 6.258 4.953 3.066 0.4995 0.0354 -0.1152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34979 11135SOL HW134977 6.235 4.952 3.163 -0.7611 -1.1606 -0.4025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34980 11135SOL HW234978 6.209 5.028 3.021 2.0843 1.4278 0.3506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34981 11136SOL OW34979 6.034 5.245 2.048 -0.2847 0.2355 0.0029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34982 11136SOL HW134980 6.068 5.189 2.123 -0.3130 -1.5324 -1.2234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34983 11136SOL HW234981 5.949 5.206 2.014 0.1887 0.4438 -1.5029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34984 11137SOL OW34982 5.807 4.149 2.499 -0.4150 0.2058 -0.5940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34985 11137SOL HW134983 5.753 4.135 2.582 -0.6915 0.5040 -0.7213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34986 11137SOL HW234984 5.879 4.216 2.516 -0.5295 0.3363 -0.6178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34987 11138SOL OW34985 6.811 5.245 1.759 0.1009 0.1033 -0.0016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34988 11138SOL HW134986 6.754 5.170 1.792 -1.3612 0.8655 -0.7151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34989 11138SOL HW234987 6.775 5.279 1.672 2.5843 -0.4086 -1.3087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34990 11139SOL OW34988 6.352 4.658 3.141 0.0227 0.3531 0.4901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34991 11139SOL HW134989 6.288 4.606 3.085 -0.6274 1.0756 0.5433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34992 11139SOL HW234990 6.325 4.755 3.142 1.7529 0.8999 -0.4077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34993 11140SOL OW34991 6.526 4.545 2.184 0.5369 0.1680 -0.3318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34994 11140SOL HW134992 6.614 4.593 2.182 0.9590 -0.5854 -0.6503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34995 11140SOL HW234993 6.538 4.457 2.230 0.1496 -0.3031 -1.1131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34996 11141SOL OW34994 7.071 5.286 1.805 0.2520 0.0199 -0.2769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34997 11141SOL HW134995 6.971 5.287 1.806 0.1931 -1.1605 -1.1930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34998 11141SOL HW234996 7.102 5.195 1.778 1.5586 0.6335 -0.9308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
34999 11142SOL OW34997 5.877 4.929 3.211 -0.0100 -0.6102 -0.4368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35000 11142SOL HW134998 5.876 5.022 3.174 -0.2985 -0.3431 0.2216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35001 11142SOL HW234999 5.785 4.906 3.245 0.4688 -0.4418 1.0658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35002 11143SOL OW35000 6.679 4.832 2.422 0.2829 0.1219 -0.1228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35003 11143SOL HW135001 6.596 4.806 2.371 0.6054 1.0667 -1.1647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35004 11143SOL HW235002 6.725 4.749 2.453 -0.8994 -0.4334 0.2326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35005 11144SOL OW35003 6.453 3.968 2.664 -0.0954 0.2802 0.0684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35006 11144SOL HW135004 6.522 3.898 2.644 0.0724 0.3896 0.2618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35007 11144SOL HW235005 6.432 3.968 2.762 0.0138 0.5958 0.0954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35008 11145SOL OW35006 6.051 5.094 2.271 -0.0962 0.2853 -0.2159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35009 11145SOL HW135007 6.108 5.021 2.306 -1.0997 -1.5452 -2.2028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35010 11145SOL HW235008 5.954 5.069 2.281 -0.5171 1.9923 0.3584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35011 11146SOL OW35009 5.385 5.193 2.167 0.1064 0.7062 -0.3455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35012 11146SOL HW135010 5.427 5.127 2.105 0.5204 -1.4112 2.0559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35013 11146SOL HW235011 5.456 5.249 2.209 0.2804 -0.6194 1.2050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35014 11147SOL OW35012 5.776 4.653 3.495 -0.2965 -0.2999 -0.2553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35015 11147SOL HW135013 5.698 4.614 3.543 -0.2727 -1.6476 -1.2526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35016 11147SOL HW235014 5.842 4.581 3.473 1.1944 0.7800 0.4498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35017 11148SOL OW35015 6.199 3.858 3.312 -0.1728 -0.5056 0.3666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35018 11148SOL HW135016 6.279 3.850 3.252 -1.5671 0.2066 -1.6931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35019 11148SOL HW235017 6.214 3.804 3.395 1.6834 -1.8685 -0.7797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35020 11149SOL OW35018 5.626 4.117 1.653 0.2592 -0.0895 0.3352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35021 11149SOL HW135019 5.527 4.117 1.660 0.3037 0.1537 1.0111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35022 11149SOL HW235020 5.659 4.212 1.652 0.2756 0.0077 -3.2455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35023 11150SOL OW35021 6.856 4.564 3.116 0.4142 -0.3368 0.3306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35024 11150SOL HW135022 6.768 4.603 3.089 0.6618 -0.3481 -0.5118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35025 11150SOL HW235023 6.927 4.598 3.055 0.9112 -0.7474 0.6757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35026 11151SOL OW35024 5.493 3.859 1.940 -0.3715 -0.7212 -0.2690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35027 11151SOL HW135025 5.440 3.799 1.879 -1.8117 1.0998 -0.8925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35028 11151SOL HW235026 5.583 3.874 1.900 -1.8899 1.9845 -3.1682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35029 11152SOL OW35027 6.676 5.035 1.880 0.4207 0.0045 0.6178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35030 11152SOL HW135028 6.595 4.989 1.844 -0.0593 0.8062 0.6515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35031 11152SOL HW235029 6.660 5.060 1.976 -0.0711 1.8851 0.0827
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35032 11153SOL OW35030 6.218 4.384 3.221 0.5746 -0.4857 -0.1619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35033 11153SOL HW135031 6.253 4.437 3.298 0.1395 -0.5536 0.0878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35034 11153SOL HW235032 6.184 4.296 3.254 -0.9448 0.0631 -0.2117
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35035 11154SOL OW35033 6.911 5.574 3.041 0.2885 0.1597 -0.0526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35036 11154SOL HW135034 6.844 5.524 2.987 -0.0558 1.1799 -0.5752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35037 11154SOL HW235035 6.999 5.525 3.038 0.3859 0.3730 -1.8531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35038 11155SOL OW35036 6.238 4.395 3.550 0.0806 0.0451 1.0340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35039 11155SOL HW135037 6.309 4.424 3.614 0.4052 -2.4383 1.9149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35040 11155SOL HW235038 6.195 4.311 3.584 -3.5442 1.5961 0.6716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35041 11156SOL OW35039 7.064 4.809 3.576 -0.1063 -0.1180 0.2295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35042 11156SOL HW135040 7.037 4.780 3.668 -0.1790 -0.0687 0.2238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35043 11156SOL HW235041 6.987 4.795 3.513 -0.3653 0.6966 0.3544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35044 11157SOL OW35042 5.923 5.466 3.549 -0.1591 0.9609 0.2125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35045 11157SOL HW135043 5.833 5.487 3.511 -0.3988 1.8031 1.1998
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35046 11157SOL HW235044 5.915 5.391 3.614 -0.4208 1.9227 1.3296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35047 11158SOL OW35045 7.066 4.620 2.907 -0.1306 0.0998 -0.2751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35048 11158SOL HW135046 7.101 4.530 2.931 -1.7078 -0.5246 -0.2124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35049 11158SOL HW235047 6.982 4.610 2.854 0.1618 1.5316 -1.0579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35050 11159SOL OW35048 6.837 4.007 2.217 0.0374 -0.0073 0.0050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35051 11159SOL HW135049 6.866 4.034 2.125 -0.6104 -1.1009 -0.5419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35052 11159SOL HW235050 6.905 3.946 2.257 -0.8355 -1.5533 -0.7749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35053 11160SOL OW35051 5.828 4.559 2.420 0.1601 -0.4538 0.1361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35054 11160SOL HW135052 5.913 4.536 2.467 0.2271 1.5119 1.0921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35055 11160SOL HW235053 5.823 4.510 2.333 2.8007 0.1738 -0.4555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35056 11161SOL OW35054 7.110 4.719 3.230 0.2534 -0.4946 0.2179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35057 11161SOL HW135055 7.171 4.745 3.305 -0.8068 1.8742 0.3460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35058 11161SOL HW235056 7.142 4.761 3.146 -0.1943 -0.7310 -0.0729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35059 11162SOL OW35057 6.277 4.973 1.994 0.2918 0.1201 -0.2541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35060 11162SOL HW135058 6.300 4.952 2.089 -0.5408 0.3313 -0.0021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35061 11162SOL HW235059 6.279 5.072 1.980 1.0443 0.0616 -0.6285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35062 11163SOL OW35060 6.158 5.193 2.926 -0.2923 -0.9764 -0.8342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35063 11163SOL HW135061 6.107 5.151 2.850 0.1491 0.5308 -1.9956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35064 11163SOL HW235062 6.246 5.226 2.893 -0.3957 0.3638 0.1649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35065 11164SOL OW35063 6.428 4.602 2.623 0.6447 0.2182 -0.0262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35066 11164SOL HW135064 6.470 4.514 2.645 -3.1346 -1.4273 1.3568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35067 11164SOL HW235065 6.433 4.663 2.702 0.1938 -0.1023 0.2554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35068 11165SOL OW35066 6.771 4.607 1.880 0.2105 0.4733 -0.7648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35069 11165SOL HW135067 6.703 4.605 1.806 0.8880 -1.8884 -1.4243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35070 11165SOL HW235068 6.835 4.531 1.868 1.0769 0.7466 1.5996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35071 11166SOL OW35069 7.229 5.353 2.308 -0.5740 0.3197 0.1707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35072 11166SOL HW135070 7.178 5.431 2.347 -1.5638 -0.2365 0.0217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35073 11166SOL HW235071 7.196 5.335 2.216 -0.4852 -0.4006 0.2795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35074 11167SOL OW35072 5.751 4.877 3.621 -0.0373 0.5241 0.0613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35075 11167SOL HW135073 5.766 4.801 3.557 -2.9636 0.3005 -0.5118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35076 11167SOL HW235074 5.709 4.841 3.704 -0.0243 1.3446 0.4234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35077 11168SOL OW35075 5.643 5.064 2.444 0.4341 0.4033 0.1319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35078 11168SOL HW135076 5.638 4.980 2.498 -1.0589 1.0419 1.0385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35079 11168SOL HW235077 5.659 5.041 2.348 0.7417 -0.8728 0.4745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35080 11169SOL OW35078 6.205 4.967 3.339 0.3148 -0.5612 -0.1950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35081 11169SOL HW135079 6.115 4.924 3.344 -0.1887 0.5740 1.0836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35082 11169SOL HW235080 6.245 4.973 3.430 1.5616 -0.7532 -0.7099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35083 11170SOL OW35081 7.148 3.664 3.099 0.1377 -0.6148 0.0603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35084 11170SOL HW135082 7.247 3.672 3.084 0.6126 -1.6905 2.2442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35085 11170SOL HW235083 7.124 3.568 3.113 -1.2684 -0.3699 -0.5032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35086 11171SOL OW35084 6.023 4.132 2.163 0.1160 -0.6765 0.0899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35087 11171SOL HW135085 6.043 4.061 2.231 2.2883 -0.9145 -0.6844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35088 11171SOL HW235086 6.105 4.147 2.107 -0.9784 0.9374 -1.1632
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35089 11172SOL OW35087 5.873 4.257 3.063 0.1270 0.6939 0.0296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35090 11172SOL HW135088 5.828 4.280 2.977 1.0442 -0.4192 -0.7838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35091 11172SOL HW235089 5.961 4.214 3.044 0.5234 0.7689 1.5435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35092 11173SOL OW35090 6.034 5.292 2.476 0.2986 0.2612 0.3868
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35093 11173SOL HW135091 6.090 5.367 2.509 -1.3289 1.0890 1.4239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35094 11173SOL HW235092 6.066 5.263 2.386 2.8404 0.1364 1.2672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35095 11174SOL OW35093 6.903 3.728 2.988 0.1462 0.0521 0.9700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35096 11174SOL HW135094 6.997 3.720 3.022 0.0361 1.2747 1.6115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35097 11174SOL HW235095 6.840 3.734 3.065 -0.2556 1.2810 0.5622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35098 11175SOL OW35096 6.318 3.749 2.872 -0.1590 0.3226 0.3318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35099 11175SOL HW135097 6.273 3.731 2.784 -1.6056 1.0450 0.8946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35100 11175SOL HW235098 6.390 3.681 2.887 0.7088 0.6901 -1.7959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35101 11176SOL OW35099 6.302 4.955 2.334 0.1303 -0.0090 0.5783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35102 11176SOL HW135100 6.330 4.860 2.347 -1.1977 -0.5246 -0.0672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35103 11176SOL HW235101 6.380 5.009 2.304 0.9025 -0.8925 0.9405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35104 11177SOL OW35102 5.996 5.307 3.096 -0.7664 -0.6533 0.3393
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35105 11177SOL HW135103 6.045 5.331 3.180 2.1836 -0.0717 -1.4361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35106 11177SOL HW235104 6.060 5.275 3.027 -3.0844 -1.0711 -1.7767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35107 11178SOL OW35105 6.922 3.605 1.978 -0.6170 -0.0281 -0.5746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35108 11178SOL HW135106 6.985 3.531 1.956 -1.7750 -1.0051 -0.6772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35109 11178SOL HW235107 6.870 3.583 2.060 -0.5963 0.9240 -0.2883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35110 11179SOL OW35108 6.936 4.169 2.593 -0.4679 -0.0230 -0.5323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35111 11179SOL HW135109 6.849 4.195 2.551 -1.4138 0.9483 1.8556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35112 11179SOL HW235110 6.922 4.088 2.650 -0.5672 1.7666 2.1320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35113 11180SOL OW35111 7.097 3.899 2.796 0.2170 0.1111 0.0431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35114 11180SOL HW135112 7.119 3.802 2.788 -1.4254 -0.4059 1.2759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35115 11180SOL HW235113 7.000 3.914 2.775 0.4239 1.4811 -0.0556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35116 11181SOL OW35114 5.595 4.536 2.076 0.0384 0.4499 -0.1468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35117 11181SOL HW135115 5.594 4.535 1.976 0.7081 -2.2399 -0.2184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35118 11181SOL HW235116 5.545 4.457 2.110 2.9241 -0.8214 1.4831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35119 11182SOL OW35117 6.447 5.288 2.090 -0.5603 -0.7699 -0.1112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35120 11182SOL HW135118 6.377 5.249 2.031 1.3400 -2.8075 -1.1720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35121 11182SOL HW235119 6.428 5.385 2.104 -2.0884 -0.6208 -2.5657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35122 11183SOL OW35120 5.701 4.376 3.821 -0.5305 -0.1644 0.1646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35123 11183SOL HW135121 5.608 4.338 3.814 0.2916 -2.1561 -0.5194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35124 11183SOL HW235122 5.739 4.386 3.729 0.4296 -0.6680 0.5029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35125 11184SOL OW35123 5.662 4.038 4.650 -0.2202 0.0674 0.1715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35126 11184SOL HW135124 5.693 4.038 4.746 0.3294 0.7461 0.0092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35127 11184SOL HW235125 5.577 3.987 4.642 0.1132 -0.6250 0.8979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35128 11185SOL OW35126 5.840 3.800 4.223 -0.2464 -0.4833 0.5504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35129 11185SOL HW135127 5.827 3.882 4.279 0.9439 0.4287 -0.4392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35130 11185SOL HW235128 5.906 3.740 4.268 -0.5134 -0.5300 0.8884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35131 11186SOL OW35129 6.164 4.832 4.861 0.4907 -0.0210 -0.8654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35132 11186SOL HW135130 6.072 4.828 4.901 1.2115 0.7464 1.0099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35133 11186SOL HW235131 6.157 4.837 4.762 -1.6226 2.3758 -0.7093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35134 11187SOL OW35132 7.077 5.092 4.204 0.2591 -0.2301 0.5242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35135 11187SOL HW135133 6.994 5.086 4.259 0.5153 0.6518 1.0260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35136 11187SOL HW235134 7.055 5.135 4.116 0.0920 -0.4526 0.4570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35137 11188SOL OW35135 6.623 4.434 4.198 -0.2873 -0.3364 -0.3192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35138 11188SOL HW135136 6.722 4.445 4.195 0.1320 -3.4596 -1.6262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35139 11188SOL HW235137 6.595 4.406 4.290 -0.0943 1.2338 0.2398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35140 11189SOL OW35138 7.169 4.219 3.708 -0.2607 0.4527 -0.6052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35141 11189SOL HW135139 7.107 4.244 3.634 -0.3831 -0.6583 -0.8986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35142 11189SOL HW235140 7.149 4.275 3.789 -0.1733 1.6276 -1.3634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35143 11190SOL OW35141 6.495 4.772 4.866 0.6090 0.4937 0.3338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35144 11190SOL HW135142 6.402 4.791 4.898 0.6432 0.2408 0.5875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35145 11190SOL HW235143 6.512 4.823 4.782 -0.7971 -1.7214 -1.4247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35146 11191SOL OW35144 6.245 4.419 5.273 0.3332 -0.5323 -0.1611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35147 11191SOL HW135145 6.281 4.376 5.356 3.1654 -0.2997 -1.1706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35148 11191SOL HW235146 6.320 4.455 5.218 -1.5662 0.8687 -2.0383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35149 11192SOL OW35147 6.167 4.597 4.381 0.7814 -0.0541 0.3461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35150 11192SOL HW135148 6.259 4.604 4.420 1.4345 3.4204 -1.4177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35151 11192SOL HW235149 6.105 4.659 4.429 0.6482 1.3149 -1.4848
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35152 11193SOL OW35150 6.231 4.748 5.458 -0.1056 -0.3331 0.3412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35153 11193SOL HW135151 6.303 4.814 5.482 0.4273 -0.4690 -0.8418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35154 11193SOL HW235152 6.187 4.776 5.373 -1.8780 0.0589 1.3338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35155 11194SOL OW35153 5.692 4.924 4.806 0.1891 -0.2555 0.7364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35156 11194SOL HW135154 5.630 4.895 4.880 0.9859 1.2748 2.0424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35157 11194SOL HW235155 5.691 5.023 4.799 -0.4737 -0.3927 -1.8955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35158 11195SOL OW35156 7.157 5.142 5.165 0.2878 0.8388 -0.4676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35159 11195SOL HW135157 7.217 5.183 5.234 1.5819 0.6264 -1.4195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35160 11195SOL HW235158 7.137 5.209 5.094 1.4396 0.2373 -1.4123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35161 11196SOL OW35159 5.962 3.916 5.071 -0.0678 0.2959 -0.2907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35162 11196SOL HW135160 6.041 3.867 5.107 -0.2808 -0.7828 -1.2390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35163 11196SOL HW235161 5.890 3.918 5.141 0.8996 1.6355 0.7282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35164 11197SOL OW35162 5.839 5.394 4.114 0.1917 0.2378 0.0382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35165 11197SOL HW135163 5.848 5.450 4.196 -1.1043 1.7293 -0.7676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35166 11197SOL HW235164 5.893 5.434 4.040 0.0556 -0.1563 -0.2803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35167 11198SOL OW35165 6.550 5.017 5.400 0.0726 0.3729 -0.3364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35168 11198SOL HW135166 6.598 4.952 5.341 -0.3644 -0.4317 0.1798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35169 11198SOL HW235167 6.513 4.969 5.480 -0.1562 1.2791 0.1126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35170 11199SOL OW35168 5.606 5.185 4.070 -0.7379 -0.4765 0.1803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35171 11199SOL HW135169 5.643 5.269 4.109 0.4885 -0.5331 -0.7878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35172 11199SOL HW235170 5.567 5.128 4.142 -0.4967 0.3858 1.0055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35173 11200SOL OW35171 5.756 4.732 4.607 -0.0256 0.1009 -0.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35174 11200SOL HW135172 5.804 4.663 4.660 -0.7093 0.0228 0.4758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35175 11200SOL HW235173 5.726 4.805 4.669 0.6548 0.8689 -0.6290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35176 11201SOL OW35174 6.093 5.390 5.080 -0.2369 0.0406 0.3897
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35177 11201SOL HW135175 6.070 5.371 5.175 0.7589 0.4798 0.7266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35178 11201SOL HW235176 6.192 5.398 5.070 -0.2804 -0.5874 -0.7952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35179 11202SOL OW35177 6.064 4.646 3.928 0.0215 0.1540 0.5623
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35180 11202SOL HW135178 6.095 4.702 3.852 -0.2744 0.8508 0.9463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35181 11202SOL HW235179 6.133 4.648 4.001 0.4456 -0.7589 0.2017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35182 11203SOL OW35180 6.979 3.570 5.244 -0.7301 0.6844 -0.1896
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35183 11203SOL HW135181 7.048 3.609 5.183 0.2994 -0.2182 0.3734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35184 11203SOL HW235182 6.968 3.630 5.323 -0.0888 0.4773 0.0558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35185 11204SOL OW35183 5.680 4.326 4.249 -0.1478 -0.5372 0.1742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35186 11204SOL HW135184 5.613 4.312 4.322 -1.1059 -1.6189 -0.8781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35187 11204SOL HW235185 5.691 4.424 4.233 -2.2325 -0.3351 -0.2927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35188 11205SOL OW35186 5.509 5.277 3.800 0.3495 -0.4074 -0.0775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35189 11205SOL HW135187 5.505 5.266 3.899 -0.3263 0.0813 -0.0394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35190 11205SOL HW235188 5.454 5.206 3.756 -4.0733 2.4151 0.1697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35191 11206SOL OW35189 7.233 4.907 4.367 0.1819 -0.0243 0.3636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35192 11206SOL HW135190 7.172 4.963 4.311 0.7881 0.3603 0.0756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35193 11206SOL HW235191 7.290 4.850 4.308 1.4143 0.9902 0.4988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35194 11207SOL OW35192 5.631 4.457 5.336 -0.0147 0.7276 0.3816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35195 11207SOL HW135193 5.670 4.530 5.392 -1.6639 0.6306 1.7394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35196 11207SOL HW235194 5.556 4.493 5.281 0.8032 0.5580 -0.8835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35197 11208SOL OW35195 6.015 5.118 4.521 0.3026 0.1910 0.2223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35198 11208SOL HW135196 6.052 5.031 4.552 0.1747 -0.1581 -0.5941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35199 11208SOL HW235197 5.986 5.111 4.425 -0.4328 0.9029 0.3764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35200 11209SOL OW35198 6.687 4.854 5.218 0.7802 -0.1901 0.1142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35201 11209SOL HW135199 6.675 4.809 5.130 1.4035 0.5906 -0.3871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35202 11209SOL HW235200 6.765 4.916 5.213 -0.1670 1.1052 0.6924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35203 11210SOL OW35201 6.407 3.747 4.164 -0.3487 0.4191 -0.9560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35204 11210SOL HW135202 6.490 3.765 4.111 -0.1892 0.0568 -0.8364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35205 11210SOL HW235203 6.344 3.824 4.155 -0.7888 -0.0910 -2.5735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35206 11211SOL OW35204 5.797 4.554 4.994 0.9132 0.2011 -0.3344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35207 11211SOL HW135205 5.821 4.468 5.039 0.3445 -0.8154 -1.8947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35208 11211SOL HW235206 5.802 4.542 4.895 0.8198 1.9800 -0.5839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35209 11212SOL OW35207 7.062 4.462 3.836 0.9844 -0.1000 0.3268
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35210 11212SOL HW135208 6.982 4.401 3.836 -0.2685 1.4764 0.3830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35211 11212SOL HW235209 7.101 4.466 3.927 1.4949 -1.2971 0.1858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35212 11213SOL OW35210 6.923 5.605 4.932 -0.1582 0.1768 0.6536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35213 11213SOL HW135211 6.854 5.678 4.925 0.3184 0.7565 1.7140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35214 11213SOL HW235212 6.970 5.594 4.845 -1.5450 -0.1948 -0.0787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35215 11214SOL OW35213 5.824 4.046 5.587 -0.1155 0.2724 -0.3257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35216 11214SOL HW135214 5.832 4.101 5.504 -3.5174 -1.6731 -2.1348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35217 11214SOL HW235215 5.728 4.042 5.616 0.6676 -0.9346 2.4537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35218 11215SOL OW35216 6.920 5.038 4.471 0.3513 -0.5309 0.6642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35219 11215SOL HW135217 6.943 5.095 4.550 0.2100 0.3068 0.1033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35220 11215SOL HW235218 6.861 4.963 4.502 -2.8248 1.8312 0.8534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35221 11216SOL OW35219 7.043 5.331 4.348 -0.2501 -0.0384 0.4105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35222 11216SOL HW135220 7.052 5.232 4.335 -2.6659 -0.4247 1.0462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35223 11216SOL HW235221 7.046 5.377 4.259 1.4052 -0.5897 0.1517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35224 11217SOL OW35222 6.056 4.323 4.019 -0.5514 -0.1324 -0.1894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35225 11217SOL HW135223 6.042 4.397 3.953 0.1952 -0.9429 -1.2997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35226 11217SOL HW235224 5.977 4.261 4.016 -0.5917 -0.0801 -0.2078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35227 11218SOL OW35225 6.837 3.992 4.462 -0.3292 -0.2189 0.1572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35228 11218SOL HW135226 6.763 3.950 4.514 0.1549 0.5013 1.4950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35229 11218SOL HW235227 6.902 4.035 4.525 -1.3344 3.4853 -1.0364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35230 11219SOL OW35228 7.031 5.360 3.889 0.0859 0.1593 0.1906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35231 11219SOL HW135229 7.104 5.292 3.883 0.4878 0.5976 0.0773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35232 11219SOL HW235230 7.012 5.397 3.798 -0.4795 -0.1591 0.1734
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35233 11220SOL OW35231 6.370 4.121 5.086 0.2473 0.1514 0.3028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35234 11220SOL HW135232 6.348 4.095 5.181 1.2820 -0.6708 0.3309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35235 11220SOL HW235233 6.362 4.040 5.028 -1.3978 0.8567 -0.5322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35236 11221SOL OW35234 6.981 4.266 5.466 -0.4753 -0.4673 0.2008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35237 11221SOL HW135235 6.974 4.249 5.565 1.1360 -1.7001 0.1378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35238 11221SOL HW235236 7.071 4.303 5.445 -0.2280 -1.6491 -0.9729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35239 11222SOL OW35237 6.450 4.581 5.178 0.2236 0.2468 0.7651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35240 11222SOL HW135238 6.550 4.583 5.168 0.2196 -0.5583 0.5299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35241 11222SOL HW235239 6.416 4.675 5.181 0.6631 0.5989 -2.3683
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35242 11223SOL OW35240 6.624 3.972 4.916 0.6091 0.3012 1.2295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35243 11223SOL HW135241 6.568 4.006 4.841 1.6359 0.5218 0.5421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35244 11223SOL HW235242 6.680 3.895 4.883 0.6580 0.0350 1.9200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35245 11224SOL OW35243 6.548 4.306 3.951 -0.0620 0.5154 -0.3375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35246 11224SOL HW135244 6.591 4.314 4.041 -0.1065 0.4327 -0.3084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35247 11224SOL HW235245 6.472 4.241 3.957 1.0823 -0.9157 -0.8547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35248 11225SOL OW35246 5.516 4.445 4.669 -0.1126 0.2210 -0.2678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35249 11225SOL HW135247 5.598 4.428 4.614 -0.7201 -0.7308 -0.9076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35250 11225SOL HW235248 5.543 4.466 4.763 0.8524 -1.7576 -0.0361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35251 11226SOL OW35249 5.541 5.493 5.527 0.0673 0.6712 -0.2444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35252 11226SOL HW135250 5.622 5.444 5.560 -1.0480 -0.9619 0.1801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35253 11226SOL HW235251 5.487 5.524 5.606 1.3728 3.8612 -0.4303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35254 11227SOL OW35252 6.630 3.825 3.754 0.0251 0.1440 -0.0169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35255 11227SOL HW135253 6.631 3.924 3.771 0.8149 -0.1103 1.6904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35256 11227SOL HW235254 6.574 3.781 3.825 0.3253 -0.7077 -0.3054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35257 11228SOL OW35255 0.024 4.445 5.546 -0.3630 0.0949 -0.5202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35258 11228SOL HW135256 0.026 4.514 5.473 1.7356 -0.2991 -0.9134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35259 11228SOL HW235257 0.028 4.354 5.505 0.9030 -0.1309 0.0450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35260 11229SOL OW35258 6.790 4.769 4.078 0.5675 0.0164 -0.2561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35261 11229SOL HW135259 6.763 4.742 3.985 -1.2011 -0.3995 0.3450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35262 11229SOL HW235260 6.786 4.869 4.086 0.2442 0.0275 -0.5077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35263 11230SOL OW35261 6.466 3.787 4.742 0.8620 -0.1911 -0.1596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35264 11230SOL HW135262 6.432 3.878 4.765 0.4761 -0.0686 -1.1615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35265 11230SOL HW235263 6.537 3.794 4.673 1.5646 -0.5902 0.5109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35266 11231SOL OW35264 6.454 5.140 4.162 0.3087 0.1565 -0.4908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35267 11231SOL HW135265 6.482 5.204 4.091 1.7712 1.8566 1.5127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35268 11231SOL HW235266 6.380 5.181 4.215 -0.9016 -1.1807 -1.0670
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35269 11232SOL OW35267 5.792 5.516 4.764 0.0194 -0.4366 0.9492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35270 11232SOL HW135268 5.835 5.427 4.777 -3.0924 -2.1088 0.6028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35271 11232SOL HW235269 5.858 5.579 4.721 2.2552 -2.5643 1.0598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35272 11233SOL OW35270 7.185 4.881 4.628 0.2770 -0.4750 -0.2412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35273 11233SOL HW135271 7.177 4.899 4.530 0.5000 -2.1300 -0.5931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35274 11233SOL HW235272 7.156 4.787 4.647 -1.5053 0.3651 1.5574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35275 11234SOL OW35273 7.043 5.354 4.996 0.4870 -0.0933 -0.2834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35276 11234SOL HW135274 7.011 5.447 4.975 -0.5451 -1.0790 -3.5992
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35277 11234SOL HW235275 6.969 5.289 4.981 1.7204 -1.6632 0.1891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35278 11235SOL OW35276 5.794 4.580 3.945 0.1820 -0.4588 0.5881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35279 11235SOL HW135277 5.886 4.611 3.924 -0.0530 -0.1378 0.0175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35280 11235SOL HW235278 5.768 4.506 3.883 0.0822 -0.5976 0.7936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35281 11236SOL OW35279 7.010 4.634 4.408 -0.6597 0.4590 -0.0215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35282 11236SOL HW135280 7.055 4.545 4.410 -1.2556 0.1638 1.2892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35283 11236SOL HW235281 7.078 4.707 4.409 -0.1594 0.0515 -1.3338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35284 11237SOL OW35282 5.947 4.910 5.384 -0.3956 -0.0614 -0.1809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35285 11237SOL HW135283 5.887 4.848 5.334 -2.2307 1.5549 -0.1060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35286 11237SOL HW235284 5.896 4.992 5.409 1.5614 0.8740 0.9407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35287 11238SOL OW35285 6.568 5.373 3.740 0.3823 -0.0161 0.1888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35288 11238SOL HW135286 6.565 5.369 3.840 -0.4804 0.6743 0.1991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35289 11238SOL HW235287 6.483 5.413 3.706 1.4696 1.6423 -0.7159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35290 11239SOL OW35288 5.770 3.869 5.303 0.2075 0.2046 0.5472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35291 11239SOL HW135289 5.777 3.864 5.403 0.4950 -1.0205 0.4817
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35292 11239SOL HW235290 5.706 3.799 5.271 0.8602 -0.0554 -0.2058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35293 11240SOL OW35291 6.014 5.536 3.947 0.6954 -0.0553 -0.0085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35294 11240SOL HW135292 6.046 5.588 4.026 -0.3057 -0.5298 0.7374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35295 11240SOL HW235293 6.088 5.479 3.913 1.5750 1.2547 -0.3554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35296 11241SOL OW35294 7.205 3.823 4.393 -0.0472 0.1353 0.0366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35297 11241SOL HW135295 7.188 3.913 4.352 0.1460 -0.0737 -0.5098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35298 11241SOL HW235296 7.283 3.780 4.347 -1.4368 -1.2172 -1.1779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35299 11242SOL OW35297 5.567 5.471 5.017 0.2151 0.0364 -0.0484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35300 11242SOL HW135298 5.616 5.388 4.993 -0.3088 -0.0404 -0.9170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35301 11242SOL HW235299 5.630 5.549 5.018 0.6222 -0.2955 0.3264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35302 11243SOL OW35300 6.444 5.228 4.542 0.0259 0.1625 0.4266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35303 11243SOL HW135301 6.536 5.229 4.505 -0.0587 2.1824 0.1899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35304 11243SOL HW235302 6.378 5.226 4.467 -0.1916 -1.9676 0.5900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35305 11244SOL OW35303 5.785 4.213 4.026 -0.0460 -0.1986 0.0669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35306 11244SOL HW135304 5.751 4.275 3.955 2.2154 0.5664 -0.4399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35307 11244SOL HW235305 5.751 4.243 4.115 -0.6524 0.5139 -0.3879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35308 11245SOL OW35306 6.961 3.696 5.518 0.1577 -0.2510 -0.3244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35309 11245SOL HW135307 6.987 3.771 5.578 1.3318 -1.5700 0.8873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35310 11245SOL HW235308 6.868 3.711 5.484 -0.7728 0.3242 2.2523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35311 11246SOL OW35309 6.253 3.707 3.815 0.3678 -0.0853 0.2210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35312 11246SOL HW135310 6.284 3.612 3.824 0.4132 -0.0315 0.6307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35313 11246SOL HW235311 6.168 3.709 3.762 -0.2670 -0.4732 1.1902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35314 11247SOL OW35312 6.308 4.049 5.359 -0.0915 -0.3479 0.2303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35315 11247SOL HW135313 6.227 4.001 5.392 -0.8095 0.2269 -0.6303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35316 11247SOL HW235314 6.303 4.145 5.387 -1.3491 0.4714 -2.4288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35317 11248SOL OW35315 6.227 5.236 4.812 0.3452 0.3130 -0.2079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35318 11248SOL HW135316 6.268 5.181 4.740 1.2165 1.4493 -0.6130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35319 11248SOL HW235317 6.237 5.190 4.900 0.4522 -0.4697 -0.6264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35320 11249SOL OW35318 6.767 4.351 5.105 0.1990 0.3869 -0.2546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35321 11249SOL HW135319 6.750 4.338 5.202 2.5328 -1.0305 0.0382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35322 11249SOL HW235320 6.803 4.443 5.089 0.7616 0.2912 0.4081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35323 11250SOL OW35321 6.196 4.865 4.581 -0.2485 -0.2813 -0.0042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35324 11250SOL HW135322 6.272 4.897 4.523 0.1036 -2.8395 -1.0712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35325 11250SOL HW235323 6.116 4.848 4.524 -0.2798 -1.6581 0.4227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35326 11251SOL OW35324 6.507 4.023 4.544 0.1908 -0.3295 0.1921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35327 11251SOL HW135325 6.439 4.023 4.470 1.0195 1.0325 -0.6253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35328 11251SOL HW235326 6.556 3.936 4.545 -0.6144 -0.7919 -0.1234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35329 11252SOL OW35327 6.043 3.730 4.030 -0.1271 0.5712 -0.3275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35330 11252SOL HW135328 6.048 3.750 4.127 0.0299 0.7663 -0.3741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35331 11252SOL HW235329 6.136 3.730 3.991 -0.1403 -0.0529 -0.3681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35332 11253SOL OW35330 6.960 4.750 3.809 0.5037 0.1071 0.4267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35333 11253SOL HW135331 6.968 4.654 3.836 -1.5630 0.1094 1.2607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35334 11253SOL HW235332 6.865 4.780 3.822 0.8296 1.9204 -1.0043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35335 11254SOL OW35333 5.701 3.693 3.799 0.7687 0.0421 -0.4458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35336 11254SOL HW135334 5.768 3.765 3.781 0.9207 0.5834 1.9465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35337 11254SOL HW235335 5.746 3.614 3.841 0.1749 -0.2833 -0.4032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35338 11255SOL OW35336 6.567 4.003 4.058 0.4463 -0.1089 0.7309
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35339 11255SOL HW135337 6.564 4.057 3.974 0.1444 1.0344 1.4508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35340 11255SOL HW235338 6.629 4.046 4.124 0.8370 -1.1001 1.0280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35341 11256SOL OW35339 6.542 4.328 4.942 0.1713 -0.1155 -0.1630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35342 11256SOL HW135340 6.479 4.269 4.992 -1.3542 1.6403 0.1090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35343 11256SOL HW235341 6.620 4.349 5.000 1.0745 -2.2915 -0.4882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35344 11257SOL OW35342 6.716 5.254 4.465 0.4896 -0.1241 -0.9820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35345 11257SOL HW135343 6.739 5.321 4.394 0.0732 -0.4241 -1.4041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35346 11257SOL HW235344 6.760 5.167 4.444 -0.7462 -0.6187 -1.6331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35347 11258SOL OW35345 5.972 4.794 4.455 0.2994 -1.4253 -0.3786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35348 11258SOL HW135346 5.886 4.773 4.501 -0.2832 -0.8381 -1.1805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35349 11258SOL HW235347 5.961 4.783 4.357 0.2570 1.5290 -0.7784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35350 11259SOL OW35348 6.747 5.447 4.276 0.4970 0.1027 0.8698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35351 11259SOL HW135349 6.828 5.468 4.222 -1.0249 0.3855 -1.4460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35352 11259SOL HW235350 6.665 5.469 4.223 -1.1339 -1.8517 2.4166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35353 11260SOL OW35351 6.458 4.222 3.460 -0.6596 -0.6223 0.4249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35354 11260SOL HW135352 6.491 4.271 3.540 -2.1414 3.9814 -1.4397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35355 11260SOL HW235353 6.360 4.201 3.472 -0.6425 -0.8239 0.2118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35356 11261SOL OW35354 5.632 4.277 5.122 0.1824 -0.0163 -0.1878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35357 11261SOL HW135355 5.722 4.265 5.079 0.1328 -1.7224 0.1110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35358 11261SOL HW235356 5.643 4.328 5.207 0.9955 -0.8040 0.1969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35359 11262SOL OW35357 6.054 3.964 4.820 0.3350 0.1624 0.2239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35360 11262SOL HW135358 6.029 3.964 4.917 -1.0042 0.9231 -0.0915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35361 11262SOL HW235359 6.015 3.883 4.776 -0.5446 0.6930 -0.0064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35362 11263SOL OW35360 6.354 4.131 4.319 -0.0752 0.1892 0.4334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35363 11263SOL HW135361 6.314 4.223 4.308 2.0943 1.5949 3.1357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35364 11263SOL HW235362 6.435 4.123 4.261 -0.4431 -0.1777 -0.0408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35365 11264SOL OW35363 6.563 3.655 4.363 0.3658 -0.9857 0.4851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35366 11264SOL HW135364 6.495 3.684 4.297 2.0320 0.0769 -0.8194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35367 11264SOL HW235365 6.586 3.559 4.348 0.4829 -0.8403 -0.2625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35368 11265SOL OW35366 6.852 4.738 4.590 0.5334 0.5402 -0.1864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35369 11265SOL HW135367 6.755 4.747 4.565 -0.2569 -2.0553 1.5450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35370 11265SOL HW235368 6.902 4.698 4.514 0.2120 1.6535 -1.0030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35371 11266SOL OW35369 6.732 4.282 4.671 0.4215 -0.1522 0.3323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35372 11266SOL HW135370 6.691 4.275 4.762 -0.8793 -0.2194 -0.2406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35373 11266SOL HW235371 6.824 4.241 4.672 1.2221 1.5628 2.0723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35374 11267SOL OW35372 7.217 4.422 4.100 -0.0923 -0.3110 0.5045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35375 11267SOL HW135373 7.185 4.406 4.193 -1.1038 -1.1703 0.0394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35376 11267SOL HW235374 7.310 4.389 4.090 -0.7198 -2.2213 0.6745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35377 11268SOL OW35375 6.037 5.113 3.864 0.4485 0.5070 -0.0948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35378 11268SOL HW135376 6.026 5.049 3.940 2.9836 -0.9822 -0.8792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35379 11268SOL HW235377 5.955 5.110 3.806 -0.5680 -0.0285 1.3133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35380 11269SOL OW35378 6.990 4.303 3.548 0.4608 0.2686 -0.8243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35381 11269SOL HW135379 6.958 4.225 3.495 0.0971 0.8652 -1.4996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35382 11269SOL HW235380 7.007 4.381 3.487 0.7766 0.7358 -0.1603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35383 11270SOL OW35381 6.166 3.989 3.823 0.1103 0.1075 -0.8114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35384 11270SOL HW135382 6.205 3.898 3.813 1.2168 0.1687 2.1290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35385 11270SOL HW235383 6.077 3.983 3.868 -0.8221 0.3887 -2.5206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35386 11271SOL OW35384 6.852 5.189 4.908 -0.5285 -0.0977 -0.5587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35387 11271SOL HW135385 6.753 5.200 4.922 -0.5371 1.3295 -1.4959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35388 11271SOL HW235386 6.871 5.096 4.876 -1.4831 -0.5926 0.2448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35389 11272SOL OW35387 0.097 5.247 5.325 0.4308 -0.8483 -0.5313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35390 11272SOL HW135388 0.065 5.341 5.330 0.9416 -0.6441 -1.0375
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35391 11272SOL HW235389 0.138 5.221 5.413 2.4128 0.1825 -1.0938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35392 11273SOL OW35390 6.546 4.966 4.633 0.0951 0.2741 -0.1450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35393 11273SOL HW135391 6.509 5.059 4.630 -3.0373 -0.8450 0.2559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35394 11273SOL HW235392 6.556 4.931 4.539 0.1786 0.5955 -0.2578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35395 11274SOL OW35393 6.915 4.925 4.816 1.1181 0.2210 0.2415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35396 11274SOL HW135394 6.877 4.894 4.730 -0.0776 -0.2683 0.9304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35397 11274SOL HW235395 6.959 4.849 4.864 0.5250 0.1705 0.7141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35398 11275SOL OW35396 6.452 3.845 5.100 -0.1427 -0.7182 -0.2338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35399 11275SOL HW135397 6.499 3.883 5.020 -0.6627 -0.3181 -0.3563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35400 11275SOL HW235398 6.500 3.872 5.183 -0.4808 0.1973 -0.3204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35401 11276SOL OW35399 6.470 4.605 5.455 -0.3645 -0.3987 -0.0886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35402 11276SOL HW135400 6.373 4.624 5.469 -0.2213 0.9011 -0.6912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35403 11276SOL HW235401 6.489 4.600 5.356 0.2093 -0.4956 0.0228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35404 11277SOL OW35402 6.238 4.698 4.136 -0.1872 -0.2018 0.3664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35405 11277SOL HW135403 6.214 4.654 4.223 -0.0581 0.5250 0.7782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35406 11277SOL HW235404 6.335 4.683 4.116 -0.0692 0.1600 0.6640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35407 11278SOL OW35405 5.879 4.288 5.014 -0.2355 0.1283 -0.2482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35408 11278SOL HW135406 5.973 4.320 5.024 -0.4552 0.9719 -0.8247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35409 11278SOL HW235407 5.859 4.269 4.918 -1.1262 1.4909 -0.3596
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35410 11279SOL OW35408 6.816 4.149 4.931 -0.2820 -0.3618 0.1422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35411 11279SOL HW135409 6.802 4.211 5.008 1.9644 0.1654 0.2014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35412 11279SOL HW235410 6.750 4.075 4.935 -0.6201 -0.0020 2.2145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35413 11280SOL OW35411 5.530 5.093 5.112 -0.2149 -0.0666 -0.0506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35414 11280SOL HW135412 5.492 5.163 5.173 -1.7957 -0.8642 -0.0645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35415 11280SOL HW235413 5.583 5.136 5.040 -1.0677 1.1245 0.0082
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35416 11281SOL OW35414 5.886 4.776 4.205 -0.4034 -0.0181 0.0032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35417 11281SOL HW135415 5.869 4.874 4.192 2.3506 0.6362 0.5555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35418 11281SOL HW235416 5.898 4.732 4.116 0.0867 0.5395 -0.2137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35419 11282SOL OW35417 6.009 4.269 4.474 0.4358 -0.1932 -0.1003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35420 11282SOL HW135418 6.030 4.310 4.385 2.6457 3.3948 1.8491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35421 11282SOL HW235419 6.091 4.271 4.531 -0.9769 -2.2030 2.1619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35422 11283SOL OW35420 6.696 5.028 4.065 -0.3436 0.3722 0.2645
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35423 11283SOL HW135421 6.752 5.104 4.034 0.4308 0.5090 1.9060
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35424 11283SOL HW235422 6.620 5.063 4.120 -0.7965 0.0409 -0.1417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35425 11284SOL OW35423 7.025 5.195 4.671 -0.0529 0.2971 0.4064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35426 11284SOL HW135424 7.088 5.121 4.694 -2.0762 -1.6154 0.0494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35427 11284SOL HW235425 6.992 5.238 4.755 2.0875 1.7577 0.5997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35428 11285SOL OW35426 6.951 4.287 4.179 0.3277 0.0986 -0.0345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35429 11285SOL HW135427 6.919 4.381 4.188 -0.0432 0.2103 -2.0921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35430 11285SOL HW235428 7.024 4.283 4.111 -1.0277 -1.3620 -1.4813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35431 11286SOL OW35429 5.731 5.265 4.994 0.6149 -0.1182 0.1977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35432 11286SOL HW135430 5.802 5.292 4.929 -0.3185 0.5217 -0.5664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35433 11286SOL HW235431 5.767 5.275 5.087 0.9259 2.0415 -0.0981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35434 11287SOL OW35432 5.982 4.453 5.305 -0.0280 0.1945 -0.3380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35435 11287SOL HW135433 6.080 4.435 5.291 -0.3697 -2.7349 0.4582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35436 11287SOL HW235434 5.930 4.369 5.291 -2.4472 1.5957 -0.3928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35437 11288SOL OW35435 7.212 4.605 5.325 0.0189 0.1136 0.3854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35438 11288SOL HW135436 7.133 4.650 5.282 0.3465 -0.1776 -0.5534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35439 11288SOL HW235437 7.274 4.573 5.253 -0.7874 -2.9653 0.8985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35440 11289SOL OW35438 6.622 3.870 5.675 0.1287 -0.5487 -0.0441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35441 11289SOL HW135439 6.632 3.937 5.601 -0.2498 -0.8825 -0.4050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35442 11289SOL HW235440 6.689 3.798 5.665 -0.2500 -0.8611 -0.3576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35443 11290SOL OW35441 6.064 3.953 5.458 -0.4536 -0.0826 -0.0113
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35444 11290SOL HW135442 6.055 3.857 5.430 0.1096 -0.3165 0.5914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35445 11290SOL HW235443 5.991 3.976 5.521 -0.1280 -0.3571 0.4759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35446 11291SOL OW35444 6.125 4.513 4.793 0.4377 0.1014 0.1825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35447 11291SOL HW135445 6.165 4.603 4.811 0.0543 0.0485 1.3564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35448 11291SOL HW235446 6.143 4.452 4.870 -1.7107 0.0298 0.7047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35449 11292SOL OW35447 6.819 4.541 4.793 -0.0037 0.0774 0.2182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35450 11292SOL HW135448 6.860 4.599 4.723 0.9717 -0.8256 0.0229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35451 11292SOL HW235449 6.800 4.450 4.754 -2.2478 0.4520 0.2850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35452 11293SOL OW35450 6.677 4.095 3.762 -0.3294 1.0842 0.4925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35453 11293SOL HW135451 6.763 4.089 3.712 -0.4735 0.2428 0.3328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35454 11293SOL HW235452 6.642 4.189 3.757 0.3494 1.3275 0.1858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35455 11294SOL OW35453 5.751 3.855 4.907 -0.0594 -0.1561 -0.2860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35456 11294SOL HW135454 5.824 3.893 4.963 1.2839 2.0492 -3.2615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35457 11294SOL HW235455 5.776 3.764 4.875 -1.1029 -1.6994 2.9555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35458 11295SOL OW35456 5.469 4.896 4.961 -0.0013 0.0948 -0.2059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35459 11295SOL HW135457 5.399 4.833 4.995 0.0400 -0.0196 -0.3304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35460 11295SOL HW235458 5.499 4.955 5.035 0.8521 -0.8593 0.2327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35461 11296SOL OW35459 6.254 4.340 4.636 0.2539 -0.8489 -0.0990
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35462 11296SOL HW135460 6.348 4.348 4.669 0.4164 -2.0480 -0.2200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35463 11296SOL HW235461 6.196 4.409 4.681 1.1806 -0.1102 -0.0193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35464 11297SOL OW35462 5.735 3.688 4.504 0.4300 -0.1657 0.6551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35465 11297SOL HW135463 5.780 3.744 4.436 0.4646 -0.1266 0.7099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35466 11297SOL HW235464 5.785 3.693 4.591 -1.0967 1.9683 1.4986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35467 11298SOL OW35465 6.993 4.062 3.937 -0.7018 -0.4494 0.6965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35468 11298SOL HW135466 7.082 4.024 3.962 -0.5745 -0.6616 -0.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35469 11298SOL HW235467 6.921 4.006 3.978 -0.5015 0.4078 2.2900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35470 11299SOL OW35468 6.567 4.328 4.473 0.3068 -0.7574 -0.0438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35471 11299SOL HW135469 6.623 4.312 4.554 -1.1423 0.4325 1.2538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35472 11299SOL HW235470 6.489 4.266 4.473 0.7824 -1.3911 -1.0606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35473 11300SOL OW35471 6.644 5.262 5.281 0.5092 -0.1664 0.1836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35474 11300SOL HW135472 6.630 5.261 5.182 -0.1035 0.2665 0.2619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35475 11300SOL HW235473 6.640 5.168 5.315 0.1822 -0.2746 -0.1326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35476 11301SOL OW35474 5.986 4.617 5.511 -0.1169 0.2875 0.0247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35477 11301SOL HW135475 6.078 4.655 5.518 0.1501 -0.2056 -0.6191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35478 11301SOL HW235476 5.985 4.548 5.438 -0.4657 -1.2649 1.4483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35479 11302SOL OW35477 6.934 4.020 3.667 -0.1098 -0.0329 0.4431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35480 11302SOL HW135478 6.930 3.927 3.703 2.0028 -0.8075 -1.0914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35481 11302SOL HW235479 6.989 4.078 3.727 -0.9850 0.1202 1.1212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35482 11303SOL OW35480 6.710 4.472 3.628 -0.6309 -0.3705 -0.1909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35483 11303SOL HW135481 6.786 4.448 3.687 -0.7672 -0.9698 -0.2548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35484 11303SOL HW235482 6.743 4.488 3.535 -0.4138 0.5954 0.0358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35485 11304SOL OW35483 6.387 4.936 4.370 -0.5313 0.1244 -0.3342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35486 11304SOL HW135484 6.428 4.853 4.334 -1.5599 -0.8931 0.7524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35487 11304SOL HW235485 6.379 5.004 4.297 0.3638 -0.6962 -1.2222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35488 11305SOL OW35486 5.835 4.474 4.727 0.2176 0.2801 -0.6331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35489 11305SOL HW135487 5.932 4.486 4.708 0.4176 0.7286 0.5943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35490 11305SOL HW235488 5.802 4.391 4.682 1.4759 -0.5890 0.0098
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35491 11306SOL OW35489 5.720 4.314 4.528 0.2285 0.4291 0.0353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35492 11306SOL HW135490 5.731 4.228 4.578 -0.5471 -1.1411 -2.2882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35493 11306SOL HW235491 5.787 4.318 4.454 -0.3226 1.3839 -0.4366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35494 11307SOL OW35492 6.702 4.079 5.484 -0.1202 -0.0584 -0.2317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35495 11307SOL HW135493 6.666 4.155 5.538 -0.4955 -1.5734 1.7337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35496 11307SOL HW235494 6.791 4.105 5.446 0.5082 0.8345 1.7083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35497 11308SOL OW35495 6.524 3.908 5.385 -0.0115 0.7471 -0.2439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35498 11308SOL HW135496 6.603 3.961 5.416 -0.0733 -0.1067 1.4794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35499 11308SOL HW235497 6.440 3.962 5.396 0.1023 0.8897 -0.0766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35500 11309SOL OW35498 5.636 4.806 3.851 0.0618 0.4860 -0.9200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35501 11309SOL HW135499 5.554 4.841 3.896 1.1800 1.5506 0.3481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35502 11309SOL HW235500 5.653 4.712 3.882 -0.0646 0.6527 -0.3401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35503 11310SOL OW35501 5.543 5.376 4.717 0.1551 -0.0484 -0.1119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35504 11310SOL HW135502 5.527 5.297 4.659 -0.2744 0.4401 -0.6735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35505 11310SOL HW235503 5.641 5.393 4.724 0.2625 -0.7355 0.1716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35506 11311SOL OW35504 6.047 5.399 4.521 -0.5111 -0.6428 -0.1152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35507 11311SOL HW135505 6.113 5.438 4.585 0.9717 0.5183 -2.2315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35508 11311SOL HW235506 6.046 5.300 4.530 1.4630 -0.6827 0.0465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35509 11312SOL OW35507 6.472 4.530 4.770 0.3199 0.1451 -0.2019
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35510 11312SOL HW135508 6.483 4.462 4.842 -0.5692 -0.1633 -0.3462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35511 11312SOL HW235509 6.485 4.622 4.809 -0.4725 -0.0012 0.4204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35512 11313SOL OW35510 5.528 4.489 4.935 -0.5168 0.0642 -0.2366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35513 11313SOL HW135511 5.598 4.557 4.956 0.0924 -0.0744 -1.6452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35514 11313SOL HW235512 5.551 4.403 4.980 -0.8478 0.5551 0.8875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35515 11314SOL OW35513 5.798 4.218 5.354 0.0155 -0.4608 -0.2190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35516 11314SOL HW135514 5.771 4.161 5.276 -0.3891 0.0059 -0.4215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35517 11314SOL HW235515 5.733 4.293 5.365 1.2849 0.7651 -0.7947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35518 11315SOL OW35516 6.950 4.697 5.223 -0.7697 -0.5542 0.3454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35519 11315SOL HW135517 6.938 4.795 5.233 0.1306 -0.1666 -1.8096
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35520 11315SOL HW235518 6.893 4.663 5.148 -0.7558 -1.6112 0.7847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35521 11316SOL OW35519 6.314 4.145 3.976 0.1803 0.3317 -0.5996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35522 11316SOL HW135520 6.284 4.072 3.915 -0.2237 -0.5788 0.6443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35523 11316SOL HW235521 6.236 4.203 4.000 -0.0079 -0.2758 0.3025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35524 11317SOL OW35522 5.774 5.315 5.256 0.3425 -0.3012 -0.5386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35525 11317SOL HW135523 5.762 5.250 5.331 -0.5408 -0.3085 -0.6836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35526 11317SOL HW235524 5.855 5.372 5.274 1.3545 -1.6617 -0.5850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35527 11318SOL OW35525 6.328 4.010 4.831 -0.1273 0.1556 0.4491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35528 11318SOL HW135526 6.230 3.993 4.835 -0.1006 -0.1736 -0.2221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35529 11318SOL HW235527 6.344 4.106 4.808 -0.3174 -0.2433 -1.4962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35530 11319SOL OW35528 6.582 5.307 4.997 -0.0429 -0.1794 -0.1410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35531 11319SOL HW135529 6.504 5.344 5.048 -0.8891 -1.0223 -0.7902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35532 11319SOL HW235530 6.586 5.349 4.907 1.6109 1.5039 0.6606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35533 11320SOL OW35531 5.899 3.948 3.949 -0.0432 -0.0676 0.0166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35534 11320SOL HW135532 5.831 4.003 3.999 0.7830 0.4587 0.5995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35535 11320SOL HW235533 5.932 3.875 4.009 0.7476 0.3951 0.1639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35536 11321SOL OW35534 5.785 4.728 5.231 0.2472 0.1863 -0.3029
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35537 11321SOL HW135535 5.784 4.644 5.286 0.1212 1.2329 1.3842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35538 11321SOL HW235536 5.806 4.706 5.136 2.1631 -1.5784 0.4436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35539 11322SOL OW35537 6.676 4.648 5.009 -0.7672 1.0630 -0.0383
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35540 11322SOL HW135538 6.730 4.593 4.945 -0.4068 -0.2963 1.3757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35541 11322SOL HW235539 6.613 4.706 4.958 -1.4609 -0.9826 -1.6023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35542 11323SOL OW35540 6.826 4.317 3.893 0.3009 0.5732 -0.2608
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35543 11323SOL HW135541 6.861 4.229 3.926 1.2122 1.5566 1.5055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35544 11323SOL HW235542 6.727 4.322 3.910 0.7214 1.0381 2.5120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35545 11324SOL OW35543 0.049 5.541 4.857 0.4276 -0.5777 -0.0433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35546 11324SOL HW135544 0.123 5.476 4.837 -0.4541 -1.6619 0.0650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35547 11324SOL HW235545 0.045 5.558 4.955 0.6723 -0.3487 -0.0738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35548 11325SOL OW35546 6.825 5.480 4.620 -0.0305 0.2615 -0.1072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35549 11325SOL HW135547 6.920 5.494 4.648 0.0501 -1.6356 0.7724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35550 11325SOL HW235548 6.819 5.396 4.565 -1.0313 1.0082 -1.1757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35551 11326SOL OW35549 5.404 4.938 4.681 -0.4933 -0.6162 -0.1125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35552 11326SOL HW135550 5.417 4.916 4.778 -1.5127 -0.3218 0.0989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35553 11326SOL HW235551 5.397 4.854 4.628 0.4112 -0.7811 0.0153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35554 11327SOL OW35552 6.281 5.150 5.475 0.2832 0.5576 0.7366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35555 11327SOL HW135553 6.259 5.247 5.471 1.7554 0.8610 -0.9097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35556 11327SOL HW235554 6.376 5.138 5.502 0.1101 -0.4371 0.9618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35557 11328SOL OW35555 6.856 5.228 4.053 -0.7933 -0.6460 0.2699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35558 11328SOL HW135556 6.924 5.266 3.990 0.4920 -0.4481 1.7063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35559 11328SOL HW235557 6.819 5.301 4.110 0.6296 -1.2396 2.0601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35560 11329SOL OW35558 5.872 5.358 5.576 0.2200 -0.1146 0.4869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35561 11329SOL HW135559 5.945 5.313 5.626 -0.9157 -0.3678 1.9628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35562 11329SOL HW235560 5.783 5.327 5.609 -0.5881 1.4605 -0.0630
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35563 11330SOL OW35561 6.874 4.544 4.190 -0.0141 0.6322 -0.1561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35564 11330SOL HW135562 6.930 4.572 4.268 0.1748 -1.4717 0.5277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35565 11330SOL HW235563 6.837 4.625 4.144 0.6489 1.9471 1.5373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35566 11331SOL OW35564 6.232 5.049 5.015 -0.3967 -0.4644 0.1075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35567 11331SOL HW135565 6.182 5.036 5.101 -1.7545 -1.0853 -0.7323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35568 11331SOL HW235566 6.225 4.965 4.960 3.3194 -1.3553 0.7724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35569 11332SOL OW35567 6.210 5.333 3.881 0.2743 0.2505 0.5134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35570 11332SOL HW135568 6.250 5.361 3.794 2.0434 0.6226 1.4067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35571 11332SOL HW235569 6.150 5.254 3.866 0.8523 0.0537 -0.9760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35572 11333SOL OW35570 5.825 3.982 4.423 -0.0867 -0.1770 -0.0310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35573 11333SOL HW135571 5.911 4.032 4.432 -0.5407 0.6175 -0.0745
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35574 11333SOL HW235572 5.758 4.019 4.486 0.3274 -2.4691 1.9321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35575 11334SOL OW35573 6.692 5.214 3.561 0.2299 -0.2502 0.0191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35576 11334SOL HW135574 6.676 5.116 3.572 0.4014 -0.3673 -0.7140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35577 11334SOL HW235575 6.658 5.263 3.641 -1.2519 -0.7619 -0.2811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35578 11335SOL OW35576 6.369 4.837 5.167 -0.4327 0.2921 0.7581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35579 11335SOL HW135577 6.439 4.908 5.164 -2.5159 2.5533 1.9149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35580 11335SOL HW235578 6.279 4.878 5.150 -1.5805 -2.3766 -0.0993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35581 11336SOL OW35579 6.526 4.671 4.109 -0.2218 0.0454 0.0455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35582 11336SOL HW135580 6.602 4.732 4.088 0.1941 -0.3873 0.2557
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35583 11336SOL HW235581 6.562 4.579 4.129 -0.5865 0.3381 2.2883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35584 11337SOL OW35582 6.986 5.335 3.590 0.1338 -0.2831 0.6305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35585 11337SOL HW135583 6.907 5.291 3.549 -0.5085 1.2197 0.1927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35586 11337SOL HW235584 7.046 5.265 3.630 -0.3364 -1.6042 -0.8688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35587 11338SOL OW35585 5.916 4.791 4.913 -0.6209 -0.4594 0.1476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35588 11338SOL HW135586 5.851 4.859 4.880 0.7777 -0.3310 -2.6720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35589 11338SOL HW235587 5.871 4.702 4.922 -1.2087 -0.4426 -2.0399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35590 11339SOL OW35588 6.611 4.739 4.389 -0.3475 0.3331 0.2850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35591 11339SOL HW135589 6.541 4.671 4.410 -0.0293 -0.2778 -0.5458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35592 11339SOL HW235590 6.615 4.753 4.290 2.2212 -1.3818 0.0501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35593 11340SOL OW35591 6.678 3.800 4.564 0.2760 0.7845 0.1440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35594 11340SOL HW135592 6.635 3.754 4.486 -0.6383 1.1119 0.4373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35595 11340SOL HW235593 6.753 3.744 4.599 0.0538 0.1632 -0.3558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35596 11341SOL OW35594 6.007 5.130 4.242 0.3079 1.1128 0.2799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35597 11341SOL HW135595 6.068 5.075 4.184 -1.3990 -1.3629 0.6676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35598 11341SOL HW235596 5.952 5.190 4.184 -1.2357 -1.1813 -0.8192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35599 11342SOL OW35597 5.818 5.013 4.021 0.0086 0.0377 0.1370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35600 11342SOL HW135598 5.781 4.946 3.956 1.1633 -0.0552 -0.4508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35601 11342SOL HW235599 5.750 5.085 4.037 0.1554 0.8126 -2.2755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35602 11343SOL OW35600 5.712 4.630 5.520 -0.7386 0.2580 0.2918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35603 11343SOL HW135601 5.656 4.693 5.574 0.1528 -0.4699 2.1676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35604 11343SOL HW235602 5.806 4.631 5.554 -0.5514 -1.5762 -0.0552
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35605 11344SOL OW35603 6.174 3.794 5.174 0.1981 0.2726 -0.6783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35606 11344SOL HW135604 6.270 3.807 5.148 -0.0662 0.1145 -1.7729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35607 11344SOL HW235605 6.166 3.799 5.274 1.3069 0.5119 -0.5849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35608 11345SOL OW35606 5.633 3.998 3.552 0.1965 0.4249 0.0106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35609 11345SOL HW135607 5.540 3.985 3.587 0.2919 -0.6580 -0.0854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35610 11345SOL HW235608 5.630 4.045 3.464 -0.4959 -1.8860 -1.2830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35611 11346SOL OW35609 6.974 4.519 5.028 0.2828 0.1451 0.3438
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35612 11346SOL HW135610 6.934 4.489 4.942 -0.0577 -2.5010 1.3469
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35613 11346SOL HW235611 7.055 4.576 5.008 -0.3127 0.3848 -1.6731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35614 11347SOL OW35612 5.316 3.590 4.242 0.2130 1.0363 0.0348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35615 11347SOL HW135613 5.374 3.558 4.317 -1.2775 0.7490 1.1146
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35616 11347SOL HW235614 5.235 3.533 4.236 -0.1414 1.6405 -1.2142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35617 11348SOL OW35615 6.542 4.944 3.880 0.6183 -0.7468 -0.7136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35618 11348SOL HW135616 6.449 4.979 3.867 0.4849 -0.7346 0.1649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35619 11348SOL HW235617 6.580 4.983 3.964 1.3305 -0.9426 -0.9413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35620 11349SOL OW35618 6.174 4.308 5.025 -0.3977 -0.3043 0.1055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35621 11349SOL HW135619 6.188 4.367 5.105 -0.8856 -0.3181 0.2007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35622 11349SOL HW235620 6.226 4.223 5.038 -1.0029 -0.5931 0.7150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35623 11350SOL OW35621 7.076 5.583 4.695 0.1781 -0.1918 0.5138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35624 11350SOL HW135622 7.105 5.574 4.599 -1.2154 -1.9927 0.2081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35625 11350SOL HW235623 7.152 5.559 4.755 0.6802 -0.3304 -0.1599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35626 11351SOL OW35624 6.341 4.291 5.490 -0.2508 -0.0948 -0.0305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35627 11351SOL HW135625 6.434 4.291 5.525 -1.2170 -0.8193 2.8774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35628 11351SOL HW235626 6.283 4.236 5.551 -2.7827 1.1531 -1.1660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35629 11352SOL OW35627 6.944 4.964 5.244 -0.3947 0.2282 -0.5695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35630 11352SOL HW135628 6.903 5.008 5.324 -1.0270 -1.5554 0.1335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35631 11352SOL HW235629 7.021 5.018 5.212 0.4339 0.5566 1.8012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35632 11353SOL OW35630 5.523 5.257 5.337 0.3434 -0.3716 -0.0860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35633 11353SOL HW135631 5.518 5.330 5.406 1.4146 -0.5153 0.1684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35634 11353SOL HW235632 5.585 5.286 5.264 -0.6940 -0.2696 -0.9492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35635 11354SOL OW35633 7.120 4.759 4.907 -0.1052 0.0768 -0.2970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35636 11354SOL HW135634 7.161 4.737 4.818 -0.5499 1.5013 -0.8931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35637 11354SOL HW235635 7.187 4.809 4.962 0.2716 -1.0638 0.3119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35638 11355SOL OW35636 6.828 3.852 4.026 -0.2840 0.1464 -0.0611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35639 11355SOL HW135637 6.887 3.856 4.107 -1.3259 0.7545 0.6816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35640 11355SOL HW235638 6.732 3.859 4.053 -0.8756 -2.6156 -1.0708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35641 11356SOL OW35639 6.164 4.348 4.270 0.1436 0.2118 0.1067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35642 11356SOL HW135640 6.149 4.444 4.295 1.0045 0.5055 -0.4757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35643 11356SOL HW235641 6.113 4.328 4.186 0.9025 0.4954 -0.4313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35644 11357SOL OW35642 0.118 4.647 5.126 -0.3203 0.2931 -0.5134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35645 11357SOL HW135643 0.108 4.747 5.129 1.5176 0.4659 1.4304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35646 11357SOL HW235644 0.146 4.620 5.034 -0.1359 1.6394 -0.8793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35647 11358SOL OW35645 6.291 5.015 3.801 -0.5795 -0.3253 -0.3045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35648 11358SOL HW135646 6.198 5.050 3.805 -0.4243 0.0115 0.4240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35649 11358SOL HW235647 6.332 5.038 3.713 -0.3942 1.5597 0.2422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35650 11359SOL OW35648 6.232 5.496 4.700 -0.1850 0.1535 -0.2126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35651 11359SOL HW135649 6.236 5.584 4.747 0.0598 0.5016 -0.8830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35652 11359SOL HW235650 6.234 5.422 4.768 0.5909 0.6371 0.3059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35653 11360SOL OW35651 6.422 4.586 4.472 1.0061 0.7269 0.5245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35654 11360SOL HW135652 6.457 4.503 4.428 2.9234 1.0446 1.3519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35655 11360SOL HW235653 6.408 4.568 4.569 0.9757 1.2396 0.6175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35656 11361SOL OW35654 6.663 4.706 3.847 -0.3895 -0.5765 -0.1664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35657 11361SOL HW135655 6.600 4.779 3.871 -0.7203 -1.2357 1.0489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35658 11361SOL HW235656 6.632 4.661 3.763 -0.6375 0.1233 -0.4566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35659 11362SOL OW35657 0.314 5.137 4.651 0.1267 0.4495 -0.5970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35660 11362SOL HW135658 0.350 5.231 4.652 0.7158 0.2658 -2.0779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35661 11362SOL HW235659 0.238 5.130 4.715 1.6417 1.2925 1.4226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35662 11363SOL OW35660 5.764 5.075 5.487 0.3869 0.0359 0.2697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35663 11363SOL HW135661 5.701 5.018 5.434 -1.0430 2.5817 -1.0148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35664 11363SOL HW235662 5.744 5.065 5.585 -0.4177 -0.9618 0.0228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35665 11364SOL OW35663 5.611 4.836 4.340 -0.0630 -0.2606 0.1800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35666 11364SOL HW135664 5.625 4.815 4.436 -1.7354 -0.8409 0.3312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35667 11364SOL HW235665 5.662 4.771 4.283 0.9187 0.0806 0.6481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35668 11365SOL OW35666 6.159 5.015 5.251 0.6912 0.1393 0.0071
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35669 11365SOL HW135667 6.078 4.985 5.302 -0.4405 2.0251 -0.5931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35670 11365SOL HW235668 6.221 5.064 5.312 0.9013 -0.4094 0.2422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35671 11366SOL OW35669 7.053 4.042 5.039 0.4927 0.6730 0.4003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35672 11366SOL HW135670 6.992 3.965 5.023 1.1286 -0.1930 1.8862
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35673 11366SOL HW235671 7.012 4.125 5.001 0.1746 -0.4901 -1.9585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35674 11367SOL OW35672 6.210 3.964 4.168 0.3142 0.1425 -0.0701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35675 11367SOL HW135673 6.206 4.018 4.084 -1.9192 -0.3165 -0.3159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35676 11367SOL HW235674 6.270 4.010 4.233 0.6037 1.5117 -1.2421
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35677 11368SOL OW35675 5.911 4.209 4.715 -0.0376 0.3323 -0.4109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35678 11368SOL HW135676 5.969 4.140 4.757 0.1301 0.7349 0.0262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35679 11368SOL HW235677 5.957 4.245 4.633 0.0409 0.1909 -0.4291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35680 11369SOL OW35678 6.249 5.253 4.302 0.5067 -0.0135 0.0824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35681 11369SOL HW135679 6.241 5.350 4.281 0.3930 -0.2956 -1.2644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35682 11369SOL HW235680 6.168 5.205 4.270 -0.0972 -0.3727 2.0182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35683 11370SOL OW35681 6.941 4.096 4.700 -0.2947 -0.3612 -0.2093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35684 11370SOL HW135682 6.977 4.003 4.703 -2.7222 -1.3711 1.6242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35685 11370SOL HW235683 6.883 4.111 4.780 -2.7433 1.5316 -2.1847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35686 11371SOL OW35684 6.810 3.753 4.910 0.3281 -0.4938 0.7855
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35687 11371SOL HW135685 6.844 3.700 4.832 -0.6729 -1.1146 0.7615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35688 11371SOL HW235686 6.747 3.698 4.963 -1.9167 1.1201 -0.0706
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35689 11372SOL OW35687 6.174 4.949 4.075 0.2127 0.2122 0.1085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35690 11372SOL HW135688 6.191 4.852 4.094 -1.3199 -0.0140 0.4085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35691 11372SOL HW235689 6.233 4.978 3.999 0.5956 -0.9866 -0.0846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35692 11373SOL OW35690 5.933 5.277 4.830 0.6890 -0.4304 -0.2471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35693 11373SOL HW135691 6.018 5.305 4.874 1.1841 -0.7129 -1.0145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35694 11373SOL HW235692 5.952 5.213 4.756 0.0349 1.2581 -1.9535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35695 11374SOL OW35693 6.969 3.624 3.924 -0.1332 -0.0660 -0.3275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35696 11374SOL HW135694 6.931 3.586 3.839 -2.7461 0.7566 0.3656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35697 11374SOL HW235695 6.951 3.722 3.927 2.5362 0.4945 -0.0695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35698 11375SOL OW35696 6.752 4.106 4.214 0.3580 0.4025 0.6766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35699 11375SOL HW135697 6.814 4.169 4.168 -1.3377 1.5096 -0.2302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35700 11375SOL HW235698 6.793 4.073 4.299 2.7420 -0.0906 -0.5892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35701 11376SOL OW35699 7.170 4.176 4.562 -0.4493 -0.3410 -0.4055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35702 11376SOL HW135700 7.239 4.228 4.612 -2.4211 1.3938 0.6589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35703 11376SOL HW235701 7.086 4.171 4.617 -1.3433 -1.9836 -1.8277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35704 11377SOL OW35702 5.527 4.514 4.027 -0.5165 -0.0102 -0.8687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35705 11377SOL HW135703 5.615 4.487 3.988 -0.2812 1.8646 -1.7479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35706 11377SOL HW235704 5.529 4.504 4.126 1.4868 1.9657 -0.6368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35707 11378SOL OW35705 6.459 5.373 4.004 0.2219 0.1875 0.4468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35708 11378SOL HW135706 6.361 5.360 3.985 0.2578 0.0693 0.3358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35709 11378SOL HW235707 6.471 5.452 4.063 -0.0123 -0.3570 1.2337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35710 11379SOL OW35708 5.701 4.377 5.731 -0.6346 0.0010 0.0456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35711 11379SOL HW135709 5.718 4.290 5.777 -2.0145 -0.3950 -0.1753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35712 11379SOL HW235710 5.611 4.376 5.688 -1.0677 1.8711 0.8118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35713 11380SOL OW35711 5.734 3.927 6.495 -1.3478 0.2370 0.6792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35714 11380SOL HW135712 5.689 3.888 6.575 -1.7261 -0.9620 -0.0818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35715 11380SOL HW235713 5.676 3.914 6.414 0.7415 -2.4501 -0.5618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35716 11381SOL OW35714 5.565 3.958 6.289 0.5211 0.2076 0.4349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35717 11381SOL HW135715 5.481 3.944 6.343 -0.1017 0.5116 -0.4409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35718 11381SOL HW235716 5.544 3.949 6.192 1.5380 0.1726 0.2095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35719 11382SOL OW35717 6.040 4.810 6.604 0.2125 0.2163 0.1481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35720 11382SOL HW135718 5.998 4.900 6.608 0.0136 0.2673 -2.1100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35721 11382SOL HW235719 5.968 4.740 6.600 0.3152 0.1812 -1.5624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35722 11383SOL OW35720 7.175 5.451 6.297 0.0510 -0.2790 -0.1660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35723 11383SOL HW135721 7.155 5.435 6.394 -0.3393 0.4027 -0.1282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35724 11383SOL HW235722 7.169 5.549 6.278 -1.7521 -0.5770 -1.2840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35725 11384SOL OW35723 6.835 4.500 6.282 0.2367 0.3132 0.1591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35726 11384SOL HW135724 6.842 4.593 6.316 -1.0888 -0.0869 1.6853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35727 11384SOL HW235725 6.819 4.437 6.359 1.7398 -1.2717 -0.7525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35728 11385SOL OW35726 7.210 4.454 5.817 0.2869 0.5083 0.4981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35729 11385SOL HW135727 7.241 4.448 5.723 0.6577 -0.8824 0.6803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35730 11385SOL HW235728 7.196 4.361 5.854 1.1829 0.9787 2.1364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35731 11386SOL OW35729 6.312 4.791 6.650 -0.6913 -0.0960 0.5959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35732 11386SOL HW135730 6.212 4.782 6.644 -0.5196 -1.7205 -0.5550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35733 11386SOL HW235731 6.347 4.832 6.566 -0.1798 -2.4105 -0.4277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35734 11387SOL OW35732 6.340 4.362 0.167 -0.0241 -0.0364 0.2739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35735 11387SOL HW135733 6.381 4.342 0.256 1.6434 -1.8642 -0.8196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35736 11387SOL HW235734 6.397 4.428 0.118 0.0497 -0.3857 -0.1174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35737 11388SOL OW35735 6.339 4.586 6.166 0.3863 -0.5759 0.1122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35738 11388SOL HW135736 6.375 4.569 6.257 -0.2624 -0.0077 0.4885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35739 11388SOL HW235737 6.259 4.646 6.172 -0.0449 -1.0350 -0.7752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35740 11389SOL OW35738 5.898 5.056 6.575 0.1641 0.3068 0.5365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35741 11389SOL HW135739 5.825 5.002 6.532 0.2777 0.4974 0.0946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35742 11389SOL HW235740 5.935 5.120 6.508 1.0512 -0.1055 0.6260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35743 11390SOL OW35741 6.991 5.211 6.871 0.0901 0.2516 0.1913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35744 11390SOL HW135742 6.998 5.185 6.774 -0.3878 -1.1466 0.5053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35745 11390SOL HW235743 7.062 5.165 6.923 -1.3125 -1.1952 0.9004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35746 11391SOL OW35744 6.137 4.055 7.183 0.0293 0.4480 0.1235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35747 11391SOL HW135745 6.114 3.960 7.205 0.5800 -0.9132 -4.2201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35748 11391SOL HW235746 6.228 4.077 7.216 -1.2357 0.6890 3.9081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35749 11392SOL OW35747 5.805 5.350 6.126 1.0315 0.1069 0.0180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35750 11392SOL HW135748 5.730 5.321 6.187 -0.3235 0.8832 -1.2132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35751 11392SOL HW235749 5.869 5.407 6.178 1.0238 -0.9058 1.1996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35752 11393SOL OW35750 5.791 5.117 5.995 -0.6402 0.6069 0.2167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35753 11393SOL HW135751 5.821 5.205 6.031 -1.0535 0.9701 -0.3198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35754 11393SOL HW235752 5.761 5.059 6.071 -1.9419 1.5315 0.4395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35755 11394SOL OW35753 5.918 4.616 6.243 0.3313 -0.2226 -0.0993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35756 11394SOL HW135754 5.964 4.543 6.293 0.4383 -0.0399 0.0672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35757 11394SOL HW235755 5.858 4.666 6.305 -0.0660 -0.4335 -0.3039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35758 11395SOL OW35756 6.024 5.340 7.007 -0.3023 -0.1571 -0.7084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35759 11395SOL HW135757 5.978 5.301 7.087 -2.3682 0.5967 -1.4665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35760 11395SOL HW235758 6.119 5.309 7.005 -0.0595 0.0989 2.2232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35761 11396SOL OW35759 6.177 4.747 5.882 0.2701 -0.3187 -0.2289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35762 11396SOL HW135760 6.136 4.790 5.802 -0.4814 1.7777 1.2078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35763 11396SOL HW235761 6.259 4.696 5.854 1.4206 2.3059 -2.0422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35764 11397SOL OW35762 7.113 3.536 6.938 -0.0101 0.2874 -0.4154
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35765 11397SOL HW135763 7.142 3.574 6.850 0.9200 0.7001 0.0501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35766 11397SOL HW235764 7.013 3.534 6.942 -0.0866 1.5899 -0.9392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35767 11398SOL OW35765 5.553 4.243 6.277 0.4017 0.3696 0.4490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35768 11398SOL HW135766 5.569 4.144 6.285 -0.2115 0.2374 0.0540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35769 11398SOL HW235767 5.551 4.283 6.369 -0.1374 -0.1170 0.6573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35770 11399SOL OW35768 5.629 5.282 5.659 0.2642 -0.1419 0.5080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35771 11399SOL HW135769 5.545 5.231 5.675 -2.0840 2.9429 -1.0825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35772 11399SOL HW235770 5.651 5.337 5.739 -0.1863 0.2861 0.3409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35773 11400SOL OW35771 7.092 5.067 6.047 -0.4415 -0.0776 -0.4791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35774 11400SOL HW135772 7.141 5.152 6.064 0.3307 -0.5453 -0.3106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35775 11400SOL HW235773 7.062 5.064 5.952 1.3949 -0.5267 -1.0945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35776 11401SOL OW35774 5.893 4.507 0.032 -0.5389 -0.3432 0.3090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35777 11401SOL HW135775 5.968 4.459 -0.014 0.8084 1.5622 0.3815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35778 11401SOL HW235776 5.847 4.567 -0.033 0.0486 0.8353 0.9556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35779 11402SOL OW35777 6.210 5.009 6.248 0.5045 0.5747 -0.0499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35780 11402SOL HW135778 6.186 4.912 6.251 0.5072 0.5609 -0.3846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35781 11402SOL HW235779 6.195 5.044 6.155 0.2039 0.9716 0.1447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35782 11403SOL OW35780 6.850 4.808 6.841 -0.0066 0.1813 0.2253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35783 11403SOL HW135781 6.869 4.716 6.808 2.2583 0.4169 0.7100
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35784 11403SOL HW235782 6.859 4.810 6.941 -1.2352 0.6802 0.3381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35785 11404SOL OW35783 6.243 3.776 6.146 -0.7324 0.2560 0.0846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35786 11404SOL HW135784 6.337 3.745 6.129 -0.4426 0.8351 0.5396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35787 11404SOL HW235785 6.188 3.766 6.064 -0.1202 0.4236 -0.3499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35788 11405SOL OW35786 5.820 4.613 6.705 -0.2155 -0.2725 -0.8276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35789 11405SOL HW135787 5.775 4.561 6.633 -2.9679 -1.3363 1.4838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35790 11405SOL HW235788 5.860 4.550 6.773 0.7935 0.6865 -0.4889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35791 11406SOL OW35789 7.155 4.703 5.727 -0.1145 -0.5630 -0.1783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35792 11406SOL HW135790 7.066 4.722 5.684 -0.5602 0.3867 1.0874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35793 11406SOL HW235791 7.159 4.606 5.753 0.0874 -1.1049 -2.1234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35794 11407SOL OW35792 6.966 5.701 6.996 0.4649 -0.0855 -0.1035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35795 11407SOL HW135793 6.926 5.610 6.990 -1.6682 0.7307 0.9387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35796 11407SOL HW235794 6.984 5.724 7.092 0.1016 0.9466 -0.2742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35797 11408SOL OW35795 5.854 4.271 0.195 -0.0858 -0.4891 -0.7880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35798 11408SOL HW135796 5.867 4.366 0.167 -1.5139 -0.3853 -1.1782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35799 11408SOL HW235797 5.774 4.233 0.148 -0.6785 -1.2815 0.7736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35800 11409SOL OW35798 6.942 5.134 6.614 -0.4643 0.0277 0.3234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35801 11409SOL HW135799 6.849 5.132 6.580 -1.4685 -1.3494 2.8743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35802 11409SOL HW235800 6.991 5.052 6.584 0.2571 1.1190 -1.6644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35803 11410SOL OW35801 7.168 5.720 6.231 0.1628 0.0531 -0.2561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35804 11410SOL HW135802 7.144 5.817 6.241 0.1372 0.0294 -0.0829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35805 11410SOL HW235803 7.230 5.709 6.154 2.5094 0.6085 1.4422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35806 11411SOL OW35804 6.194 4.322 5.883 0.1597 0.1786 0.2366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35807 11411SOL HW135805 6.237 4.412 5.889 -1.1529 0.9016 -0.7095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35808 11411SOL HW235806 6.104 4.325 5.926 -1.3074 0.2920 -2.6334
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35809 11412SOL OW35807 6.818 4.117 6.503 -0.0870 0.3791 0.6891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35810 11412SOL HW135808 6.722 4.099 6.481 -0.0532 0.7940 0.1861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35811 11412SOL HW235809 6.853 4.044 6.562 -0.3435 -0.4501 -0.1659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35812 11413SOL OW35810 7.069 5.367 6.066 0.1380 -0.5757 -0.1861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35813 11413SOL HW135811 7.097 5.393 6.158 -0.2697 -1.0713 0.0831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35814 11413SOL HW235812 6.988 5.419 6.039 0.0843 -0.6395 -0.1493
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35815 11414SOL OW35813 6.428 4.265 6.990 -0.1158 0.4769 0.4826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35816 11414SOL HW135814 6.427 4.224 7.081 0.1034 1.4267 0.9252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35817 11414SOL HW235815 6.353 4.227 6.935 1.2637 -1.9971 0.1784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35818 11415SOL OW35816 6.486 4.509 7.252 0.0904 0.3861 -0.1650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35819 11415SOL HW135817 6.548 4.444 7.208 -0.7597 -1.5355 1.3237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35820 11415SOL HW235818 6.422 4.545 7.184 1.3758 0.6731 -1.2658
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35821 11416SOL OW35819 6.491 3.959 6.869 -0.4509 -0.3003 0.2728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35822 11416SOL HW135820 6.420 4.010 6.819 0.3239 -0.2709 -0.8169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35823 11416SOL HW235821 6.448 3.908 6.944 -1.6072 -0.1721 -0.2791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35824 11417SOL OW35822 6.714 4.367 6.050 0.1422 0.5243 0.0612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35825 11417SOL HW135823 6.771 4.426 6.107 -0.0075 0.3125 0.4356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35826 11417SOL HW235824 6.687 4.287 6.102 1.5742 -0.6399 -0.9162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35827 11418SOL OW35825 5.714 4.417 6.540 0.2577 0.4741 0.9048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35828 11418SOL HW135826 5.803 4.425 6.495 0.2813 0.7163 0.9943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35829 11418SOL HW235827 5.643 4.454 6.479 -0.0874 -1.6933 -0.1109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35830 11419SOL OW35828 5.568 5.494 7.127 0.1488 0.2944 0.0420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35831 11419SOL HW135829 5.513 5.576 7.142 3.6438 2.7757 0.7021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35832 11419SOL HW235830 5.543 5.452 7.040 -1.8274 2.0035 -0.2932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35833 11420SOL OW35831 6.446 3.857 5.889 0.3103 0.1865 0.2710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35834 11420SOL HW135832 6.521 3.861 5.823 0.0319 -1.3981 -0.2042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35835 11420SOL HW235833 6.362 3.829 5.842 -0.1702 0.2263 1.0920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35836 11421SOL OW35834 6.846 4.868 5.983 0.1239 0.2612 -0.0692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35837 11421SOL HW135835 6.781 4.792 5.986 -1.0045 1.2302 0.7685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35838 11421SOL HW235836 6.805 4.949 6.025 0.7423 1.7626 -2.1937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35839 11422SOL OW35837 5.989 3.783 6.488 -0.6485 0.3835 0.0070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35840 11422SOL HW135838 5.931 3.844 6.541 0.8884 1.8340 0.0931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35841 11422SOL HW235839 6.068 3.833 6.453 -0.0256 -1.2518 -1.0733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35842 11423SOL OW35840 6.411 5.152 5.916 0.0642 -0.6389 -0.5410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35843 11423SOL HW135841 6.336 5.149 5.851 0.5420 -0.4983 -1.1052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35844 11423SOL HW235842 6.388 5.214 5.991 -1.1815 -2.0857 0.3243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35845 11424SOL OW35843 5.980 5.455 6.309 -0.1461 -0.0949 -0.0547
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35846 11424SOL HW135844 6.016 5.363 6.296 0.7017 0.1009 0.8343
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35847 11424SOL HW235845 5.964 5.472 6.406 3.4602 2.0314 0.3437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35848 11425SOL OW35846 7.106 4.890 6.249 0.2571 -0.5991 -0.0050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35849 11425SOL HW135847 7.179 4.827 6.222 -0.9744 -1.3675 -1.6921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35850 11425SOL HW235848 7.094 4.959 6.178 2.9970 3.0309 2.6622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35851 11426SOL OW35849 6.791 5.081 7.018 0.0824 -0.5557 0.0516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35852 11426SOL HW135850 6.853 5.004 7.035 0.7895 0.0321 0.1729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35853 11426SOL HW235851 6.825 5.136 6.942 -1.3131 -1.2909 -1.1560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35854 11427SOL OW35852 5.896 4.546 5.766 -0.1382 0.0346 -0.1412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35855 11427SOL HW135853 5.941 4.550 5.677 -0.1525 0.2080 -0.1409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35856 11427SOL HW235854 5.813 4.490 5.759 0.1968 -0.4812 -0.0882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35857 11428SOL OW35855 0.162 4.505 6.359 -0.5559 -0.0238 -0.3850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35858 11428SOL HW135856 0.070 4.465 6.362 0.4579 -2.5038 -0.5068
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35859 11428SOL HW235857 0.199 4.510 6.452 -0.6119 0.5585 -0.3874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35860 11429SOL OW35858 6.029 4.830 0.061 -0.2976 0.1873 0.1982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35861 11429SOL HW135859 5.940 4.820 0.017 0.7309 -0.4312 -1.8662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35862 11429SOL HW235860 6.065 4.739 0.084 1.4402 0.0117 -2.6219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35863 11430SOL OW35861 6.793 5.494 5.744 -0.2845 -0.2272 0.7308
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35864 11430SOL HW135862 6.693 5.491 5.750 -0.4509 -0.1600 -1.4624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35865 11430SOL HW235863 6.828 5.405 5.715 0.1700 0.1512 0.0883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35866 11431SOL OW35864 5.489 4.049 6.879 0.4976 -1.1077 -0.2440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35867 11431SOL HW135865 5.559 4.107 6.838 -2.8961 3.3073 -0.6039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35868 11431SOL HW235866 5.497 4.053 6.979 0.5052 -0.2707 -0.2729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35869 11432SOL OW35867 6.087 5.314 5.750 0.6884 0.7786 -0.0516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35870 11432SOL HW135868 6.093 5.375 5.828 -2.5161 1.0114 0.1710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35871 11432SOL HW235869 6.127 5.225 5.773 0.9249 1.2427 1.4144
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35872 11433SOL OW35870 6.806 3.712 6.113 0.2179 -0.1271 -0.3504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35873 11433SOL HW135871 6.825 3.658 6.030 -2.0381 -0.6041 -0.6020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35874 11433SOL HW235872 6.878 3.694 6.181 1.9388 0.0211 -2.0372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35875 11434SOL OW35873 5.658 5.417 6.721 -0.6632 0.2371 -0.1161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35876 11434SOL HW135874 5.709 5.332 6.735 -0.5440 0.1681 -0.9458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35877 11434SOL HW235875 5.645 5.432 6.623 1.1653 2.2617 -0.1134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35878 11435SOL OW35876 6.403 5.279 6.374 0.1660 0.0868 0.2291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35879 11435SOL HW135877 6.501 5.296 6.384 0.3281 -0.2393 -0.7568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35880 11435SOL HW235878 6.379 5.274 6.277 -0.6124 -1.0261 0.4565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35881 11436SOL OW35879 5.944 4.386 5.978 0.1286 -0.3552 0.2575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35882 11436SOL HW135880 5.858 4.335 5.974 0.4564 -0.8557 -0.6597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35883 11436SOL HW235881 5.943 4.458 5.910 0.0434 0.2997 0.9324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35884 11437SOL OW35882 6.323 3.712 5.636 0.6748 -0.0523 -0.2153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35885 11437SOL HW135883 6.415 3.753 5.635 0.4383 0.6255 -2.7165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35886 11437SOL HW235884 6.316 3.647 5.561 -0.4041 -1.3462 0.9769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35887 11438SOL OW35885 6.130 3.915 0.208 0.2464 -0.3118 0.4713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35888 11438SOL HW135886 6.225 3.945 0.221 -0.1172 1.5655 -0.8647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35889 11438SOL HW235887 6.129 3.835 0.147 0.9534 -0.2034 0.3040
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35890 11439SOL OW35888 6.454 5.149 6.728 -0.2701 -0.0196 0.0134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35891 11439SOL HW135889 6.375 5.161 6.667 1.4198 -1.0455 -2.5408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35892 11439SOL HW235890 6.486 5.055 6.722 1.0655 0.3416 1.1373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35893 11440SOL OW35891 6.871 4.234 7.001 0.1714 0.1302 -0.2069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35894 11440SOL HW135892 6.895 4.197 7.090 -0.3581 0.4394 0.0705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35895 11440SOL HW235893 6.913 4.324 6.989 -1.5000 1.0609 0.6366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35896 11441SOL OW35894 6.417 4.968 6.465 0.4135 0.2897 -0.0874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35897 11441SOL HW135895 6.488 5.038 6.475 0.7860 -0.2844 1.5682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35898 11441SOL HW235896 6.350 4.998 6.397 1.1893 1.7229 -0.2585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35899 11442SOL OW35897 6.545 4.104 6.469 -0.5529 0.0276 0.3747
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35900 11442SOL HW135898 6.562 4.104 6.371 0.3648 0.3099 0.5264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35901 11442SOL HW235899 6.522 4.011 6.499 2.3403 -0.7968 0.3856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35902 11443SOL OW35900 6.092 3.729 5.918 -0.1608 -0.2558 -0.5361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35903 11443SOL HW135901 6.005 3.721 5.967 -0.7774 0.9494 -1.3858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35904 11443SOL HW235902 6.099 3.820 5.878 1.7810 -0.1197 0.0266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35905 11444SOL OW35903 6.859 5.029 5.484 -0.4495 0.1685 -0.3194
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35906 11444SOL HW135904 6.913 4.952 5.519 -1.5012 -0.2789 0.3519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35907 11444SOL HW235905 6.801 5.066 5.556 -2.6116 -0.7149 -1.5037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35908 11445SOL OW35906 5.701 3.702 5.619 -0.3611 -0.6473 -0.4472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35909 11445SOL HW135907 5.668 3.734 5.708 0.6306 0.2829 -0.3918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35910 11445SOL HW235908 5.784 3.649 5.632 -0.0020 -0.1852 -0.8459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35911 11446SOL OW35909 6.535 3.719 6.108 0.0989 0.2899 -0.4287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35912 11446SOL HW135910 6.496 3.788 6.047 -0.3884 1.2940 0.9742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35913 11446SOL HW235911 6.627 3.694 6.076 0.2183 1.4736 -1.0459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35914 11447SOL OW35912 6.652 4.357 7.091 -0.1387 -0.1735 0.3822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35915 11447SOL HW135913 6.570 4.332 7.040 0.8336 -1.8397 -0.4413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35916 11447SOL HW235914 6.729 4.302 7.060 1.1891 0.9444 1.5332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35917 11448SOL OW35915 6.680 5.329 6.382 -0.4861 0.2238 -0.3799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35918 11448SOL HW135916 6.704 5.328 6.285 0.5414 -0.4985 -0.1385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35919 11448SOL HW235917 6.675 5.235 6.416 -0.1890 0.4825 0.4088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35920 11449SOL OW35918 6.134 4.761 6.161 -0.4060 -0.1508 -0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35921 11449SOL HW135919 6.049 4.715 6.188 -1.0932 0.4011 -1.2659
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35922 11449SOL HW235920 6.143 4.757 6.061 1.1508 -0.6371 -0.0182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35923 11450SOL OW35921 6.579 5.629 6.022 -0.6357 0.6019 0.3296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35924 11450SOL HW135922 6.628 5.714 6.038 -1.4821 1.0578 0.5242
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35925 11450SOL HW235923 6.504 5.620 6.087 0.4385 -1.0975 1.4420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35926 11451SOL OW35924 6.594 4.294 5.617 -0.5005 0.4318 -0.1826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35927 11451SOL HW135925 6.628 4.387 5.631 0.4844 0.2700 -1.3900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35928 11451SOL HW235926 6.600 4.243 5.703 -0.3346 1.2474 0.2978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35929 11452SOL OW35927 5.899 4.438 6.929 0.0930 1.0541 0.2713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35930 11452SOL HW135928 5.908 4.360 6.990 3.4893 0.7329 -0.4458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35931 11452SOL HW235929 5.892 4.522 6.983 -0.1946 0.5226 1.0662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35932 11453SOL OW35930 5.996 4.027 6.772 -0.3227 0.2055 0.2306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35933 11453SOL HW135931 5.958 3.937 6.794 -1.0803 -0.1512 -2.2598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35934 11453SOL HW235932 5.941 4.070 6.700 -0.6075 3.1599 2.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35935 11454SOL OW35933 6.577 4.128 6.204 0.3340 0.5731 0.3925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35936 11454SOL HW135934 6.510 4.122 6.131 1.8180 3.1298 -1.3285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35937 11454SOL HW235935 6.661 4.082 6.177 -0.4106 -2.1920 2.3385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35938 11455SOL OW35936 6.221 3.913 6.385 -0.1331 -0.1124 -0.2704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35939 11455SOL HW135937 6.228 3.861 6.300 -0.1331 0.4836 -0.6348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35940 11455SOL HW235938 6.188 4.005 6.366 -0.7308 -0.1675 0.4479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35941 11456SOL OW35939 6.814 5.083 6.150 -0.3822 -0.0502 -0.0892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35942 11456SOL HW135940 6.913 5.093 6.138 -0.2640 1.5266 1.8056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35943 11456SOL HW235941 6.771 5.173 6.149 -1.6224 -0.6227 0.3847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35944 11457SOL OW35942 7.108 4.302 6.618 -0.8846 -0.7528 0.0756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35945 11457SOL HW135943 7.065 4.234 6.678 -0.6346 -1.6720 -0.7548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35946 11457SOL HW235944 7.175 4.256 6.559 0.4110 0.4637 0.5407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35947 11458SOL OW35945 7.233 4.496 6.095 0.4672 0.1974 -0.5611
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35948 11458SOL HW135946 7.233 4.585 6.140 1.8565 0.4278 -0.9644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35949 11458SOL HW235947 7.244 4.508 5.996 -0.0085 -0.3974 -0.6921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35950 11459SOL OW35948 6.000 4.873 5.689 -0.2775 -0.5538 -0.1795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35951 11459SOL HW135949 5.905 4.892 5.714 -0.1726 -0.5538 0.2206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35952 11459SOL HW235950 6.007 4.865 5.590 -0.6446 -0.2675 -0.2302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35953 11460SOL OW35951 6.949 4.187 5.749 -0.1625 -0.5127 -0.2078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35954 11460SOL HW135952 6.851 4.168 5.762 -0.4153 1.0020 0.2716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35955 11460SOL HW235953 6.990 4.207 5.838 -0.1390 1.9898 -0.7149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35956 11461SOL OW35954 6.138 3.929 5.757 -1.1673 0.0044 -0.4481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35957 11461SOL HW135955 6.156 3.856 5.690 -1.9287 1.1916 -2.0273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35958 11461SOL HW235956 6.134 4.017 5.710 -1.2093 0.9683 1.2713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35959 11462SOL OW35957 6.621 4.912 6.688 -0.1428 -0.1905 0.2764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35960 11462SOL HW135958 6.567 4.831 6.665 -1.2699 -0.2689 2.8603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35961 11462SOL HW235959 6.691 4.888 6.755 -0.0735 0.8468 0.5970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35962 11463SOL OW35960 6.696 5.078 6.491 -0.1715 0.0863 0.4714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35963 11463SOL HW135961 6.653 5.030 6.568 1.9396 -0.8923 1.1328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35964 11463SOL HW235962 6.709 5.014 6.415 1.7684 -0.2296 0.9996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35965 11464SOL OW35963 0.016 4.899 6.659 -0.2337 0.2999 -0.0219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35966 11464SOL HW135964 0.040 4.906 6.756 -0.9101 -0.0333 0.1750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35967 11464SOL HW235965 -0.076 4.860 6.650 -0.4314 0.9341 -0.7782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35968 11465SOL OW35966 6.504 3.656 7.023 0.6432 -0.2573 0.1597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35969 11465SOL HW135967 6.502 3.607 6.936 1.5218 -0.3942 0.2120
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35970 11465SOL HW235968 6.592 3.701 7.035 0.9079 -1.0376 1.4074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35971 11466SOL OW35969 6.356 4.547 5.888 0.0439 -0.1160 0.1400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35972 11466SOL HW135970 6.348 4.568 5.985 -1.1467 0.7340 -0.1157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35973 11466SOL HW235971 6.452 4.535 5.864 0.5327 1.6879 1.0278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35974 11467SOL OW35972 6.059 4.338 6.722 0.2071 0.2052 0.3320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35975 11467SOL HW135973 5.989 4.355 6.791 -1.3265 -2.0302 -0.5486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35976 11467SOL HW235974 6.114 4.259 6.749 -0.9368 -1.2142 -1.2757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35977 11468SOL OW35975 6.769 3.987 6.921 0.1016 -0.2195 -0.5304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35978 11468SOL HW135976 6.794 4.074 6.964 -0.8815 -0.9951 1.7702
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35979 11468SOL HW235977 6.672 3.990 6.894 -0.3112 -1.0257 0.7898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35980 11469SOL OW35978 5.615 5.129 6.985 0.2543 -0.1030 -0.0812
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35981 11469SOL HW135979 5.691 5.158 6.928 0.7599 0.5177 0.8769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35982 11469SOL HW235980 5.646 5.119 7.080 -1.1266 1.6096 0.6254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35983 11470SOL OW35981 5.806 4.674 6.004 0.0214 -0.0320 0.4942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35984 11470SOL HW135982 5.861 4.645 6.082 -0.2479 -1.4868 0.1823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35985 11470SOL HW235983 5.853 4.649 5.919 -0.8016 -0.7404 0.2203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35986 11471SOL OW35984 6.137 4.169 6.376 -0.1016 0.8029 0.4707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35987 11471SOL HW135985 6.137 4.241 6.306 -0.5806 0.2677 -0.0930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35988 11471SOL HW235986 6.201 4.193 6.448 1.1812 0.8772 -0.6477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35989 11472SOL OW35987 6.530 5.277 5.623 -0.2778 -0.0189 0.0615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35990 11472SOL HW135988 6.536 5.352 5.558 1.4297 -0.3862 -0.2669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35991 11472SOL HW235989 6.530 5.313 5.716 -0.4926 0.4235 -0.1066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35992 11473SOL OW35990 6.865 5.452 6.939 -0.0880 0.1379 -0.5427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35993 11473SOL HW135991 6.922 5.369 6.930 0.6143 0.7112 -1.5974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35994 11473SOL HW235992 6.770 5.429 6.918 0.2070 -0.2831 -1.4750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35995 11474SOL OW35993 7.064 4.336 6.228 0.6132 0.3429 -0.4439
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35996 11474SOL HW135994 6.989 4.395 6.259 -1.3348 0.2433 -4.2507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35997 11474SOL HW235995 7.139 4.392 6.193 1.4146 0.4449 1.3486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35998 11475SOL OW35996 5.839 5.217 6.799 0.1337 -0.4858 0.5810
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
35999 11475SOL HW135997 5.861 5.154 6.725 -2.5056 -1.5789 0.6018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36000 11475SOL HW235998 5.923 5.255 6.837 1.6738 -1.8424 -1.2822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36001 11476SOL OW35999 6.094 4.381 7.152 -0.3552 0.2730 0.5080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36002 11476SOL HW136000 6.170 4.422 7.101 -1.4144 0.1871 -1.1963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36003 11476SOL HW236001 6.111 4.283 7.164 -0.1768 0.2624 0.1805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36004 11477SOL OW36002 6.936 4.832 7.116 -0.4638 -0.0757 -0.0780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36005 11477SOL HW136003 6.882 4.778 7.180 0.9092 -0.2587 0.9637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36006 11477SOL HW236004 7.032 4.804 7.121 -0.4844 -1.2632 -3.3773
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36007 11478SOL OW36005 6.248 4.522 6.619 0.3979 -0.1530 0.3278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36008 11478SOL HW136006 6.251 4.614 6.656 -0.0051 0.7962 -1.8304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36009 11478SOL HW236007 6.179 4.468 6.669 -2.2343 1.9281 -0.7918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36010 11479SOL OW36008 6.948 4.541 6.756 0.4385 0.4304 0.1170
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36011 11479SOL HW136009 6.860 4.496 6.772 -0.4875 2.3256 0.5957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36012 11479SOL HW236010 7.015 4.473 6.728 -1.4633 -0.9224 -1.4749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36013 11480SOL OW36011 6.675 4.187 5.857 0.4377 -0.3032 -0.3587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36014 11480SOL HW136012 6.693 4.103 5.909 1.6965 -1.3248 -2.3303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36015 11480SOL HW236013 6.696 4.266 5.914 1.3701 -1.3581 0.8357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36016 11481SOL OW36014 5.575 3.855 6.691 0.4217 -0.0296 0.1075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36017 11481SOL HW136015 5.539 3.913 6.764 1.2381 0.3900 0.1900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36018 11481SOL HW236016 5.548 3.760 6.708 0.6920 0.0477 1.0243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36019 11482SOL OW36017 5.647 4.919 6.572 0.3039 -0.1548 -0.1935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36020 11482SOL HW136018 5.695 4.903 6.658 0.6116 -0.6302 -0.4524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36021 11482SOL HW236019 5.548 4.921 6.589 0.3206 -0.9936 0.0601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36022 11483SOL OW36020 6.334 4.242 6.554 0.1397 0.3733 -0.7711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36023 11483SOL HW136021 6.424 4.214 6.522 0.3142 0.4363 -0.3319
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36024 11483SOL HW236022 6.333 4.341 6.568 0.0727 0.3384 -0.5400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36025 11484SOL OW36023 5.870 3.685 6.070 0.2650 -0.1534 -0.0612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36026 11484SOL HW136024 5.848 3.780 6.091 0.2850 -0.3333 0.8003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36027 11484SOL HW236025 5.871 3.631 6.154 0.5718 -0.8552 -0.5024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36028 11485SOL OW36026 7.110 4.186 5.975 0.3410 0.2311 -0.0471
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36029 11485SOL HW136027 7.139 4.092 5.995 -3.2215 -1.4404 -1.9408
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36030 11485SOL HW236028 7.089 4.232 6.061 0.1165 -1.4375 0.8527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36031 11486SOL OW36029 6.644 4.396 6.514 -0.3595 0.4143 -0.2252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36032 11486SOL HW136030 6.668 4.448 6.596 -3.3420 1.2628 0.1999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36033 11486SOL HW236031 6.697 4.311 6.512 1.9749 1.7470 0.9516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36034 11487SOL OW36032 7.025 3.921 5.645 -0.4970 0.8439 -0.3573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36035 11487SOL HW136033 6.996 4.003 5.694 0.1967 0.2694 1.0771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36036 11487SOL HW236034 7.067 3.947 5.558 -2.4023 1.8470 -1.0359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36037 11488SOL OW36035 6.893 4.533 5.439 0.3830 0.3591 -0.1714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36038 11488SOL HW136036 6.922 4.437 5.439 -0.5685 0.0538 0.6781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36039 11488SOL HW236037 6.919 4.575 5.352 -0.1098 -0.9589 -0.9933
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36040 11489SOL OW36038 6.669 4.899 6.308 0.1671 0.0278 0.4730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36041 11489SOL HW136039 6.572 4.887 6.290 0.3439 -1.1101 0.1930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36042 11489SOL HW236040 6.712 4.943 6.229 -0.2224 1.1494 0.8677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36043 11490SOL OW36041 5.988 4.431 6.457 -0.5480 -0.2165 0.5882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36044 11490SOL HW136042 6.053 4.417 6.382 -1.5262 1.0864 -0.5542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36045 11490SOL HW236043 6.032 4.407 6.544 2.0903 2.1838 0.0823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36046 11491SOL OW36044 5.926 4.130 6.520 -0.1086 -0.3091 -0.3873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36047 11491SOL HW136045 5.858 4.070 6.478 -1.1003 0.3693 0.2050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36048 11491SOL HW236046 6.005 4.140 6.458 -0.4168 -1.3234 -0.9615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36049 11492SOL OW36047 6.747 3.733 7.049 0.6352 0.1400 0.1283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36050 11492SOL HW136048 6.791 3.736 7.138 0.0872 1.8332 0.3751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36051 11492SOL HW236049 6.783 3.807 6.992 -0.2949 0.1652 -0.4368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36052 11493SOL OW36050 5.483 5.034 5.694 -0.0224 -0.0570 0.1204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36053 11493SOL HW136051 5.397 5.060 5.737 0.5420 -1.1027 1.9663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36054 11493SOL HW236052 5.493 4.934 5.697 -0.9100 -0.4985 -4.3891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36055 11494SOL OW36053 5.674 5.434 6.457 0.4349 -0.5692 0.2304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36056 11494SOL HW136054 5.674 5.337 6.432 -0.7407 -0.2396 -1.1561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36057 11494SOL HW236055 5.754 5.478 6.416 1.0963 -0.9851 1.0536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36058 11495SOL OW36056 6.045 5.180 6.387 -0.1549 0.3879 -0.0550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36059 11495SOL HW136057 6.110 5.236 6.437 -0.3588 1.6951 -1.2035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36060 11495SOL HW236058 6.093 5.105 6.341 0.3610 0.6218 0.1054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36061 11496SOL OW36059 6.683 4.489 6.820 0.4432 0.0348 0.0650
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36062 11496SOL HW136060 6.643 4.398 6.829 0.4767 -0.0878 -0.9067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36063 11496SOL HW236061 6.619 4.558 6.854 -0.3203 -0.2142 -0.8234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36064 11497SOL OW36062 5.713 4.196 6.755 0.0614 0.2481 -0.2825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36065 11497SOL HW136063 5.774 4.196 6.675 3.6155 -1.9265 2.1486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36066 11497SOL HW236064 5.760 4.238 6.832 -0.7557 -2.8916 2.1448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36067 11498SOL OW36065 6.389 4.102 5.996 -0.2773 0.1212 -0.4389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36068 11498SOL HW136066 6.403 4.014 5.950 -1.8317 -0.2734 -0.2241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36069 11498SOL HW236067 6.347 4.167 5.932 0.3915 0.5505 -0.4481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36070 11499SOL OW36068 5.977 5.173 7.214 0.4432 0.3126 0.0831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36071 11499SOL HW136069 5.897 5.114 7.207 0.8797 -0.1827 -0.9508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36072 11499SOL HW236070 5.972 5.226 7.299 0.6165 -2.0412 1.6325
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36073 11500SOL OW36071 6.245 4.144 6.805 0.1166 0.4824 0.3927
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36074 11500SOL HW136072 6.166 4.084 6.811 -0.4572 1.3354 1.6612
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36075 11500SOL HW236073 6.265 4.162 6.708 -0.6181 -0.5150 0.0366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36076 11501SOL OW36074 6.626 5.361 6.821 0.3521 -0.1325 -0.2955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36077 11501SOL HW136075 6.590 5.273 6.792 0.0659 -0.2017 0.2536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36078 11501SOL HW236076 6.631 5.423 6.742 0.2647 -0.5393 -0.6227
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36079 11502SOL OW36077 6.156 4.187 5.641 0.2345 -0.8159 -0.2967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36080 11502SOL HW136078 6.174 4.232 5.729 0.0310 0.2457 -0.7836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36081 11502SOL HW236079 6.076 4.229 5.598 0.4753 -1.1687 -1.0928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36082 11503SOL OW36080 5.771 4.857 6.801 0.3304 -0.3081 0.3492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36083 11503SOL HW136081 5.835 4.888 6.871 1.3385 0.9099 -1.0415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36084 11503SOL HW236082 5.797 4.765 6.772 0.5716 -0.3882 0.7987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36085 11504SOL OW36083 7.009 4.866 6.607 -0.3231 -0.1364 -0.1843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36086 11504SOL HW136084 6.983 4.796 6.540 -0.9820 0.0313 -0.1160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36087 11504SOL HW236085 6.955 4.854 6.690 -0.0676 0.1349 0.0243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36088 11505SOL OW36086 6.977 4.768 5.529 -0.1746 0.5160 1.1881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36089 11505SOL HW136087 7.065 4.777 5.483 -0.2021 0.6719 1.1663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36090 11505SOL HW236088 6.936 4.680 5.506 -0.1313 0.5418 1.0133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36091 11506SOL OW36089 0.167 5.240 6.599 -0.1515 0.2998 -0.5986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36092 11506SOL HW136090 0.118 5.182 6.534 0.7569 -1.0941 -0.0995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36093 11506SOL HW236091 0.195 5.185 6.678 1.3318 1.2441 -0.4176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36094 11507SOL OW36092 6.960 5.569 6.697 0.0961 0.0046 0.2629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36095 11507SOL HW136093 7.036 5.516 6.660 -0.3598 -0.6933 0.2979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36096 11507SOL HW236094 6.917 5.518 6.771 0.1576 0.8014 0.8513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36097 11508SOL OW36095 5.712 4.736 6.397 -0.3663 0.0880 0.0786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36098 11508SOL HW136096 5.682 4.812 6.453 1.8984 0.3665 1.0190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36099 11508SOL HW236097 5.647 4.660 6.405 -1.7043 1.2600 0.5566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36100 11509SOL OW36098 6.686 5.353 6.100 -0.6210 -0.2198 -0.3626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36101 11509SOL HW136099 6.677 5.451 6.084 -1.4318 -0.5049 -1.8774
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36102 11509SOL HW236100 6.727 5.310 6.019 0.2942 -1.0551 0.5274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36103 11510SOL OW36101 6.890 4.738 6.358 -0.7107 -0.2426 0.0882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36104 11510SOL HW136102 6.964 4.780 6.306 -1.2926 -2.6571 -3.0351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36105 11510SOL HW236103 6.813 4.802 6.365 -0.5493 0.2450 -2.0141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36106 11511SOL OW36104 6.549 4.992 7.031 0.2689 -0.2227 0.5890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36107 11511SOL HW136105 6.634 5.036 7.004 1.2615 -0.2851 3.3069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36108 11511SOL HW236106 6.481 5.062 7.056 0.3076 -0.1944 0.6147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36109 11512SOL OW36107 6.216 5.070 5.722 0.2473 -0.4027 0.7618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36110 11512SOL HW136108 6.244 5.107 5.633 -0.8232 2.4436 1.4733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36111 11512SOL HW236109 6.139 5.007 5.710 1.5406 -1.8072 -0.4675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36112 11513SOL OW36110 5.786 3.948 6.139 -0.5511 0.9377 0.1310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36113 11513SOL HW136111 5.694 3.956 6.101 -0.7108 0.2979 0.3604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36114 11513SOL HW236112 5.787 3.985 6.232 -1.0495 -0.6811 0.8279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36115 11514SOL OW36113 6.854 5.321 5.477 -0.4295 0.2604 -0.4894
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36116 11514SOL HW136114 6.901 5.234 5.491 1.1746 1.2649 0.8347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36117 11514SOL HW236115 6.787 5.312 5.404 1.4490 -1.4227 -2.1384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36118 11515SOL OW36116 6.443 4.742 6.891 0.4253 0.4924 -0.2346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36119 11515SOL HW136117 6.397 4.758 6.803 0.8823 -1.2944 -0.8420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36120 11515SOL HW236118 6.495 4.823 6.916 -1.1546 1.7059 -0.6911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36121 11516SOL OW36119 6.625 4.565 5.868 -0.3539 0.1526 -0.0367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36122 11516SOL HW136120 6.645 4.573 5.771 -1.0525 -0.0203 -0.2030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36123 11516SOL HW236121 6.670 4.483 5.905 -2.3389 -1.4222 -0.8718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36124 11517SOL OW36122 7.084 5.430 5.585 0.3169 0.6554 -0.1841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36125 11517SOL HW136123 7.001 5.405 5.536 0.1242 1.4066 -0.2456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36126 11517SOL HW236124 7.123 5.348 5.628 -0.7106 0.3780 0.2514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36127 11518SOL OW36125 5.992 4.885 6.946 -0.1454 -0.1157 0.3861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36128 11518SOL HW136126 6.061 4.920 7.009 0.1994 0.8059 -0.4867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36129 11518SOL HW236127 6.022 4.898 6.852 -1.7803 0.9569 -0.0443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36130 11519SOL OW36128 6.593 4.716 6.066 0.7318 0.4162 -0.1924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36131 11519SOL HW136129 6.580 4.657 6.145 -0.5362 -1.2406 -1.5729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36132 11519SOL HW236130 6.601 4.661 5.983 -1.7453 2.1548 -1.7220
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36133 11520SOL OW36131 6.439 3.844 6.521 -0.3919 -0.1012 -0.1236
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36134 11520SOL HW136132 6.357 3.866 6.467 -0.8948 1.6164 1.2312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36135 11520SOL HW236133 6.412 3.827 6.616 0.8562 1.1769 0.4928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36136 11521SOL OW36134 6.082 5.082 5.997 0.2167 0.3264 -0.1590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36137 11521SOL HW136135 6.128 5.014 5.941 -0.7536 1.9393 -3.1301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36138 11521SOL HW236136 5.984 5.081 5.978 -0.5269 -0.2856 3.0131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36139 11522SOL OW36137 5.749 4.978 5.745 -0.5754 0.0744 0.1844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36140 11522SOL HW136138 5.650 4.978 5.758 -0.3075 -0.7424 2.7265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36141 11522SOL HW236139 5.791 5.047 5.805 0.4532 -0.1449 -0.2568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36142 11523SOL OW36140 5.838 4.681 7.069 -0.3064 -0.6042 -0.1907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36143 11523SOL HW136141 5.900 4.749 7.032 -1.4554 0.1341 -0.8228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36144 11523SOL HW236142 5.744 4.716 7.066 -0.8071 -1.8313 0.3866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36145 11524SOL OW36143 6.197 3.726 6.949 -0.1066 0.1727 -0.2053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36146 11524SOL HW136144 6.257 3.697 6.874 -1.2629 0.6105 -1.3423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36147 11524SOL HW236145 6.253 3.756 7.026 1.1359 0.2841 -1.1087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36148 11525SOL OW36146 5.546 4.066 5.618 0.2859 -0.2061 0.0921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36149 11525SOL HW136147 5.493 4.074 5.533 -0.8286 -0.0106 0.7864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36150 11525SOL HW236148 5.503 4.120 5.690 2.7925 2.0299 0.0859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36151 11526SOL OW36149 6.977 4.477 7.034 -0.1417 0.1789 -0.3357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36152 11526SOL HW136150 6.947 4.562 6.989 0.8291 0.0744 -1.2150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36153 11526SOL HW236151 6.979 4.491 7.133 -0.6479 0.9699 -0.4246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36154 11527SOL OW36152 5.454 3.831 5.766 0.1255 -0.4948 -0.6054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36155 11527SOL HW136153 5.364 3.831 5.722 -0.3684 0.2255 0.3723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36156 11527SOL HW236154 5.514 3.895 5.719 -0.5592 0.6677 0.0641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36157 11528SOL OW36155 6.726 5.120 5.716 -0.8175 0.6124 0.2216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36158 11528SOL HW136156 6.674 5.061 5.777 -2.5818 0.0639 -1.6765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36159 11528SOL HW236157 6.664 5.179 5.666 0.7084 2.2474 0.1605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36160 11529SOL OW36158 6.326 4.524 7.040 -0.3722 0.1079 0.4652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36161 11529SOL HW136159 6.374 4.605 7.009 0.3311 0.2213 1.7799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36162 11529SOL HW236160 6.344 4.448 6.977 -0.2902 0.7227 -0.2634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36163 11530SOL OW36161 7.116 5.355 6.554 0.4974 -0.4236 0.7842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36164 11530SOL HW136162 7.046 5.283 6.553 1.6850 -1.6598 -1.5198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36165 11530SOL HW236163 7.202 5.317 6.589 1.3755 -0.4640 -1.2648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36166 11531SOL OW36164 6.403 4.151 7.238 -0.1150 0.2787 -0.4336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36167 11531SOL HW136165 6.367 4.196 7.319 -1.8979 -1.2251 -0.3335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36168 11531SOL HW236166 6.480 4.093 7.263 -0.0350 0.5752 0.0004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36169 11532SOL OW36167 5.849 5.544 7.138 -0.4610 0.1522 0.2589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36170 11532SOL HW136168 5.756 5.510 7.155 0.2784 -1.9002 0.4422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36171 11532SOL HW236169 5.896 5.484 7.073 1.4747 -0.1990 1.8669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36172 11533SOL OW36170 0.049 4.416 6.770 -0.0834 -0.8925 0.0436
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36173 11533SOL HW136171 0.116 4.445 6.701 -1.8106 1.5409 -0.7589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36174 11533SOL HW236172 -0.035 4.386 6.724 -1.7699 2.0496 0.9568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36175 11534SOL OW36173 6.809 3.996 6.103 -0.1971 0.0583 0.4312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36176 11534SOL HW136174 6.817 3.897 6.091 -0.3249 0.2720 -1.8305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36177 11534SOL HW236175 6.885 4.029 6.158 -0.3474 -1.3152 1.5266
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36178 11535SOL OW36176 6.119 4.400 6.213 0.1376 -0.0613 -1.0234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36179 11535SOL HW136177 6.205 4.425 6.169 -0.8259 1.3844 -2.1676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36180 11535SOL HW236178 6.048 4.389 6.144 -0.7685 -0.5754 -0.0459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36181 11536SOL OW36179 7.249 4.435 7.022 0.3643 0.5358 0.7880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36182 11536SOL HW136180 7.283 4.443 6.928 -0.3164 -0.8056 0.4004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36183 11536SOL HW236181 7.153 4.407 7.020 0.1054 1.2803 1.8947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36184 11537SOL OW36182 6.450 4.870 5.608 0.1933 -0.0657 0.3339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36185 11537SOL HW136183 6.466 4.773 5.588 -0.6344 -0.2269 0.4233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36186 11537SOL HW236184 6.483 4.891 5.700 -0.3783 -0.4639 0.6372
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36187 11538SOL OW36185 6.248 5.260 6.590 0.5593 0.5150 -0.0396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36188 11538SOL HW136186 6.233 5.355 6.615 0.5424 0.7452 -0.9105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36189 11538SOL HW236187 6.320 5.254 6.521 1.5218 -0.2225 0.9901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36190 11539SOL OW36188 6.444 4.554 6.407 0.2352 0.3818 -0.0346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36191 11539SOL HW136189 6.524 4.500 6.434 -0.5568 -0.8098 0.0089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36192 11539SOL HW236190 6.376 4.549 6.480 0.5339 2.2942 0.4165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36193 11540SOL OW36191 6.674 4.572 5.615 0.1137 0.1876 -0.3909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36194 11540SOL HW136192 6.591 4.583 5.559 -0.3045 -0.8610 0.0105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36195 11540SOL HW236193 6.754 4.569 5.555 -0.2533 -0.0921 -0.8708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36196 11541SOL OW36194 0.351 4.911 6.283 -0.1451 -1.0154 0.1544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36197 11541SOL HW136195 0.399 4.963 6.354 2.4337 -2.2907 -0.5363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36198 11541SOL HW236196 0.310 4.975 6.218 1.8598 0.2034 -0.0037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36199 11542SOL OW36197 5.708 4.907 6.166 -0.4958 -0.3052 0.0712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36200 11542SOL HW136198 5.704 4.854 6.251 -1.6880 -1.5835 -0.7401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36201 11542SOL HW236199 5.723 4.845 6.089 -0.1232 0.7550 -0.7272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36202 11543SOL OW36200 6.360 4.835 7.226 -0.0100 -0.2228 0.5036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36203 11543SOL HW136201 6.266 4.823 7.196 -0.6925 2.1482 1.4640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36204 11543SOL HW236202 6.417 4.859 7.148 -0.3842 -0.7289 0.0677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36205 11544SOL OW36203 7.258 3.625 6.684 0.2640 0.6606 -0.4276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36206 11544SOL HW136204 7.188 3.627 6.612 -0.0510 -3.1936 -0.4151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36207 11544SOL HW236205 7.346 3.601 6.644 0.1712 -1.0692 0.3486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36208 11545SOL OW36206 5.799 4.129 5.871 0.1772 -0.3685 -0.0797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36209 11545SOL HW136207 5.830 4.081 5.789 2.2004 -0.6401 0.7714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36210 11545SOL HW236208 5.807 4.068 5.950 -0.9250 0.1651 0.4680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36211 11546SOL OW36209 5.940 4.146 7.031 0.3378 0.1383 -0.4381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36212 11546SOL HW136210 6.016 4.124 7.093 1.1083 1.7849 -0.7387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36213 11546SOL HW236211 5.950 4.093 6.947 0.3879 -0.6641 0.0669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36214 11547SOL OW36212 6.270 5.306 6.087 0.0186 -0.3595 -0.3822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36215 11547SOL HW136213 6.240 5.381 6.029 0.8045 0.4457 0.2176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36216 11547SOL HW236214 6.206 5.230 6.080 -0.6620 0.2744 -1.1847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36217 11548SOL OW36215 6.897 3.939 6.683 -0.2957 0.1194 -0.2397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36218 11548SOL HW136216 6.882 3.843 6.660 -1.4783 0.0588 0.6380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36219 11548SOL HW236217 6.860 3.957 6.775 1.5764 0.9961 0.3878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36220 11549SOL OW36218 6.329 3.659 6.723 -0.4085 0.0191 0.5141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36221 11549SOL HW136219 6.262 3.624 6.658 -0.5592 1.6832 -0.2580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36222 11549SOL HW236220 6.412 3.602 6.719 -1.7561 -2.1707 1.6035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36223 11550SOL OW36221 6.543 4.937 5.886 -0.1099 -0.2728 -0.6625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36224 11550SOL HW136222 6.536 4.869 5.960 0.8917 -2.4879 -2.4639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36225 11550SOL HW236223 6.487 5.016 5.908 0.1287 -0.8203 2.4455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36226 11551SOL OW36224 6.209 5.042 7.085 -0.0500 -0.4235 0.0624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36227 11551SOL HW136225 6.154 5.099 7.147 -1.2631 0.8500 -2.0480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36228 11551SOL HW236226 6.241 5.098 7.009 2.2847 -1.7010 0.0091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36229 11552SOL OW36227 6.822 3.478 5.924 -0.5027 -0.4510 0.3593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36230 11552SOL HW136228 6.868 3.486 5.836 -0.4932 -0.4135 0.3672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36231 11552SOL HW236229 6.723 3.474 5.909 -0.5773 0.7896 0.4131
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36232 11553SOL OW36230 7.002 4.080 6.284 0.1770 -0.4144 0.2656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36233 11553SOL HW136231 7.021 4.178 6.287 -1.0627 -0.1743 1.0932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36234 11553SOL HW236232 6.977 4.048 6.375 1.2159 -1.6552 0.1432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36235 11554SOL OW36233 7.196 3.999 6.631 -0.9752 0.1361 0.3533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36236 11554SOL HW136234 7.097 3.993 6.645 -0.7751 0.8398 2.5972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36237 11554SOL HW236235 7.242 3.976 6.717 0.6819 2.6701 0.2566
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36238 11555SOL OW36236 5.550 4.638 5.918 -0.3313 -0.0603 -0.2075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36239 11555SOL HW136237 5.646 4.655 5.943 0.2054 -0.7460 -1.6857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36240 11555SOL HW236238 5.526 4.544 5.941 -0.9165 0.3337 0.8746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36241 11556SOL OW36239 6.540 5.487 5.809 0.1229 -0.0547 -0.1760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36242 11556SOL HW136240 6.449 5.523 5.789 0.8265 1.0322 -1.5468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36243 11556SOL HW236241 6.576 5.530 5.892 -0.3744 -0.0914 0.0643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36244 11557SOL OW36242 5.922 6.325 0.037 0.5611 0.9504 -0.3270
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36245 11557SOL HW136243 5.874 6.238 0.047 2.4086 0.1060 2.2010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36246 11557SOL HW236244 6.004 6.311 -0.019 0.1593 1.4172 -1.0537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36247 11558SOL OW36245 5.621 6.026 0.931 0.0727 -0.0180 -0.0114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36248 11558SOL HW136246 5.529 6.003 0.962 -0.3338 0.0025 -1.1790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36249 11558SOL HW236247 5.616 6.087 0.852 1.0493 -1.3518 -1.1477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36250 11559SOL OW36248 5.471 5.853 0.624 -0.2094 0.4205 -0.0688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36251 11559SOL HW136249 5.403 5.925 0.640 -1.2690 -0.1258 -1.8581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36252 11559SOL HW236250 5.428 5.777 0.576 1.2640 -0.7587 0.3991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36253 11560SOL OW36251 5.996 6.684 1.241 -0.2855 0.5333 0.1151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36254 11560SOL HW136252 5.992 6.686 1.341 -1.6100 3.2935 0.0915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36255 11560SOL HW236253 6.080 6.638 1.212 0.1981 -0.2061 2.4740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36256 11561SOL OW36254 7.027 7.126 0.512 0.3885 0.7273 -0.5271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36257 11561SOL HW136255 6.983 7.036 0.510 -0.9135 1.3533 -1.2295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36258 11561SOL HW236256 7.035 7.161 0.419 0.8972 1.3551 -0.2554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36259 11562SOL OW36257 6.572 6.104 0.525 -0.0778 -0.3165 -0.1434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36260 11562SOL HW136258 6.600 6.197 0.547 0.6402 -1.0617 2.4639
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36261 11562SOL HW236259 6.495 6.077 0.583 -0.6300 -1.1897 -1.2405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36262 11563SOL OW36260 7.147 6.298 0.199 0.2499 -0.1911 0.9462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36263 11563SOL HW136261 7.118 6.387 0.164 0.2836 -0.1751 0.9581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36264 11563SOL HW236262 7.067 6.245 0.224 0.0358 -1.2788 -1.7059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36265 11564SOL OW36263 6.217 6.598 1.113 -0.6398 -0.5392 0.5619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36266 11564SOL HW136264 6.197 6.501 1.098 -2.8387 -0.0570 -0.0426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36267 11564SOL HW236265 6.228 6.643 1.024 -0.2530 -0.1140 0.8234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36268 11565SOL OW36266 6.233 6.369 1.786 -0.8616 -0.3065 0.3442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36269 11565SOL HW136267 6.269 6.351 1.878 -2.6938 -0.2408 1.1189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36270 11565SOL HW236268 6.254 6.463 1.760 -0.0605 -0.4184 0.5556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36271 11566SOL OW36269 6.100 6.464 0.696 -0.0165 -0.6819 -0.3879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36272 11566SOL HW136270 6.143 6.478 0.606 0.6899 -0.7834 -0.0740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36273 11566SOL HW236271 6.045 6.544 0.719 -2.0928 -1.5815 -1.9188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36274 11567SOL OW36272 6.317 6.872 1.736 0.0936 0.0031 0.0360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36275 11567SOL HW136273 6.404 6.917 1.716 0.0680 0.4400 0.8882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36276 11567SOL HW236274 6.309 6.856 1.834 0.9046 -3.5003 -0.3299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36277 11568SOL OW36275 5.924 6.921 1.112 -0.0262 -0.0796 -0.0757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36278 11568SOL HW136276 5.952 6.841 1.165 0.3110 1.2022 1.7776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36279 11568SOL HW236277 5.971 6.920 1.024 -1.4522 -2.8634 -0.9245
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36280 11569SOL OW36278 6.789 6.952 1.284 0.0648 0.2399 -0.3895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36281 11569SOL HW136279 6.720 7.021 1.261 0.0332 0.5537 0.6232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36282 11569SOL HW236280 6.752 6.889 1.352 -0.0064 -0.9780 -1.5088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36283 11570SOL OW36281 5.802 5.688 1.343 0.1254 -0.2078 -0.2757
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36284 11570SOL HW136282 5.864 5.765 1.359 -1.6297 1.2059 0.0000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36285 11570SOL HW236283 5.794 5.634 1.428 -1.2412 1.3136 0.6093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36286 11571SOL OW36284 6.690 6.868 1.860 0.2049 0.5977 -0.5879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36287 11571SOL HW136285 6.772 6.830 1.816 0.7184 -1.2611 1.7589
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36288 11571SOL HW236286 6.622 6.796 1.870 -0.0431 1.0555 1.2138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36289 11572SOL OW36287 5.627 7.180 0.489 -0.2542 0.5620 -0.0963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36290 11572SOL HW136288 5.670 7.127 0.562 -1.0625 -1.2718 -0.8834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36291 11572SOL HW236289 5.528 7.186 0.505 -0.4894 -0.1275 -1.1690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36292 11573SOL OW36290 5.773 6.568 1.027 -0.0915 0.2021 0.1539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36293 11573SOL HW136291 5.803 6.600 1.117 -0.2928 2.1004 -0.4067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36294 11573SOL HW236292 5.676 6.588 1.016 0.0623 0.5049 -0.7027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36295 11574SOL OW36293 6.031 6.372 0.376 -0.1051 -0.6244 -0.0924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36296 11574SOL HW136294 5.985 6.409 0.295 -0.9466 2.7354 1.7442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36297 11574SOL HW236295 6.125 6.406 0.378 -0.2183 -0.3461 0.5360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36298 11575SOL OW36296 6.906 5.893 1.457 0.5784 0.0709 -0.2877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36299 11575SOL HW136297 6.877 5.837 1.380 -1.3414 0.1666 0.3177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36300 11575SOL HW236298 6.900 5.839 1.541 0.3954 0.6704 0.0886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36301 11576SOL OW36299 5.659 6.050 0.551 0.0146 -0.2905 -0.0690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36302 11576SOL HW136300 5.612 5.966 0.574 -1.8960 0.4728 -0.9916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36303 11576SOL HW236301 5.648 6.117 0.625 -2.5196 0.7136 -1.2574
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36304 11577SOL OW36302 5.573 7.208 0.210 0.3053 0.8652 -0.3160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36305 11577SOL HW136303 5.616 7.219 0.299 1.0189 1.6048 -0.7365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36306 11577SOL HW236304 5.640 7.229 0.138 0.2106 -1.2391 -1.0795
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36307 11578SOL OW36305 6.976 6.531 0.374 -0.2124 -0.0683 0.2525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36308 11578SOL HW136306 6.976 6.441 0.417 1.9992 -0.4452 -0.4296
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36309 11578SOL HW236307 7.059 6.581 0.400 0.2713 0.4240 -2.0260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36310 11579SOL OW36308 5.647 6.207 1.521 -0.1296 0.6206 -0.1173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36311 11579SOL HW136309 5.745 6.226 1.527 -0.5910 3.0421 0.7030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36312 11579SOL HW236310 5.600 6.284 1.477 -1.3843 -1.7137 -3.2642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36313 11580SOL OW36311 6.144 6.832 0.744 0.2854 -0.0191 -0.0175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36314 11580SOL HW136312 6.068 6.777 0.777 0.7931 -0.1212 1.0230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36315 11580SOL HW236313 6.158 6.816 0.646 -0.3348 -0.8116 0.0210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36316 11581SOL OW36314 6.628 6.878 1.484 -0.1379 -0.5004 0.3511
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36317 11581SOL HW136315 6.597 6.786 1.509 0.3317 -0.8705 -0.3804
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36318 11581SOL HW236316 6.609 6.941 1.559 -2.9312 -0.6209 -0.1271
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36319 11582SOL OW36317 6.105 5.572 0.438 0.3061 -0.4463 -0.0256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36320 11582SOL HW136318 6.148 5.525 0.361 -1.4482 -1.9201 -0.1664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36321 11582SOL HW236319 6.013 5.536 0.453 -0.2234 1.3100 1.4182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36322 11583SOL OW36320 5.527 6.402 1.346 -0.1527 -0.5951 0.8797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36323 11583SOL HW136321 5.561 6.334 1.281 0.5713 -0.9390 1.6042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36324 11583SOL HW236322 5.439 6.437 1.314 0.5209 -0.2293 -0.6528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36325 11584SOL OW36323 7.088 6.522 0.047 0.2952 0.0282 0.3737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36326 11584SOL HW136324 7.141 6.547 -0.035 -0.8121 -1.0976 -0.7145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36327 11584SOL HW236325 7.063 6.606 0.096 2.1668 0.6461 0.3595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36328 11585SOL OW36326 6.010 5.977 1.624 -0.2603 -0.4442 0.9475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36329 11585SOL HW136327 6.045 6.008 1.713 -0.3380 0.0708 0.8027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36330 11585SOL HW236328 5.913 5.956 1.632 -0.2975 -0.2740 0.9587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36331 11586SOL OW36329 6.799 6.832 0.809 -0.2247 -0.8833 0.0301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36332 11586SOL HW136330 6.877 6.878 0.851 -0.9858 0.8477 -0.3930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36333 11586SOL HW236331 6.830 6.747 0.766 1.3150 -0.5262 0.3731
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36334 11587SOL OW36332 0.231 0.032 0.615 -0.4918 -0.3708 0.0043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36335 11587SOL HW136333 0.134 0.050 0.598 -1.1557 -2.2208 1.5339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36336 11587SOL HW236334 0.263 0.090 0.690 -0.1275 0.8866 -1.0820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36337 11588SOL OW36335 6.044 6.107 0.375 0.2449 0.5033 0.1138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36338 11588SOL HW136336 6.060 6.205 0.363 -1.2531 0.7312 -0.2037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36339 11588SOL HW236337 6.033 6.086 0.472 1.2845 0.5100 0.2467
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36340 11589SOL OW36338 6.778 5.814 0.969 0.3453 -0.0124 -0.1379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36341 11589SOL HW136339 6.862 5.781 0.926 0.9630 0.7058 0.4947
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36342 11589SOL HW236340 6.768 5.771 1.059 0.0183 -0.1145 -0.2211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36343 11590SOL OW36341 7.257 7.195 0.245 0.1340 0.1549 0.3693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36344 11590SOL HW136342 7.296 7.279 0.207 0.0582 -0.3264 -0.8171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36345 11590SOL HW236343 7.167 7.179 0.203 0.5891 -1.0328 -0.2089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36346 11591SOL OW36344 6.244 6.126 1.491 0.4926 -0.1436 0.0243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36347 11591SOL HW136345 6.172 6.107 1.557 -0.0397 1.1742 -0.1315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36348 11591SOL HW236346 6.227 6.076 1.406 0.7763 -1.2592 0.6145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36349 11592SOL OW36347 6.810 6.107 1.596 -0.0318 0.2979 -0.2359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36350 11592SOL HW136348 6.813 6.105 1.696 -1.0870 1.2744 -0.1577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36351 11592SOL HW236349 6.837 6.018 1.560 0.3601 -0.0706 0.9087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36352 11593SOL OW36350 6.537 6.615 1.527 0.4889 0.1767 0.6052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36353 11593SOL HW136351 6.575 6.528 1.498 0.5872 -0.3217 2.1320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36354 11593SOL HW236352 6.477 6.651 1.455 1.3825 -0.5422 -0.5339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36355 11594SOL OW36353 6.465 6.030 1.085 0.3169 -0.3027 0.2090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36356 11594SOL HW136354 6.407 6.003 1.008 0.1557 1.3249 -0.2723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36357 11594SOL HW236355 6.440 6.122 1.114 0.2464 -0.9433 2.3452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36358 11595SOL OW36356 6.496 5.900 0.335 -0.4778 -0.1417 -0.4030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36359 11595SOL HW136357 6.515 5.988 0.380 0.9466 -0.0264 -1.1452
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36360 11595SOL HW236358 6.419 5.856 0.380 1.5038 -0.5800 2.9567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36361 11596SOL OW36359 5.610 6.231 0.752 -0.1042 -0.0024 1.1682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36362 11596SOL HW136360 5.538 6.298 0.732 0.2352 0.8159 2.6269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36363 11596SOL HW236361 5.681 6.273 0.809 0.5126 -1.3799 1.4517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36364 11597SOL OW36362 5.597 0.100 1.521 0.1628 -0.5726 -0.0211
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36365 11597SOL HW136363 5.574 0.084 1.617 0.0456 1.2644 0.2842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36366 11597SOL HW236364 5.572 0.019 1.467 -0.3954 -1.3679 1.3819
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36367 11598SOL OW36365 6.307 5.544 0.007 -0.6967 -0.0328 -0.1310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36368 11598SOL HW136366 6.297 5.643 0.006 0.4961 0.0960 -1.1854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36369 11598SOL HW236367 6.344 5.513 -0.080 0.4251 -1.2438 0.7488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36370 11599SOL OW36368 7.154 6.036 1.733 -0.5718 0.0909 -0.4816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36371 11599SOL HW136369 7.129 6.132 1.735 -0.6447 0.0838 -0.9973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36372 11599SOL HW236370 7.157 6.004 1.639 -0.0534 -0.2836 -0.3445
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36373 11600SOL OW36371 6.818 6.744 0.309 -0.1356 -0.1156 0.3691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36374 11600SOL HW136372 6.882 6.668 0.303 1.2515 1.0222 0.2310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36375 11600SOL HW236373 6.813 6.775 0.404 0.3448 0.4617 0.2140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36376 11601SOL OW36374 6.049 5.553 0.945 0.0620 0.1427 -0.0250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36377 11601SOL HW136375 6.013 5.539 1.037 2.0026 -3.0258 0.4351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36378 11601SOL HW236376 6.072 5.650 0.932 1.9183 0.4056 3.7765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36379 11602SOL OW36377 6.604 7.009 0.448 -0.0515 0.7281 -0.3217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36380 11602SOL HW136378 6.624 7.081 0.382 -2.1642 3.1651 1.5181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36381 11602SOL HW236379 6.507 6.985 0.443 0.4687 -1.6218 -0.4442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36382 11603SOL OW36380 5.804 0.041 0.785 -0.2126 -0.2473 -0.1864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36383 11603SOL HW136381 5.887 0.023 0.731 -0.7611 1.2178 -1.5907
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36384 11603SOL HW236382 5.793 0.140 0.797 -1.0053 -0.4840 1.2148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36385 11604SOL OW36383 7.029 6.853 0.924 0.1736 0.4374 0.0267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36386 11604SOL HW136384 7.013 6.778 0.987 0.3204 1.0447 0.8058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36387 11604SOL HW236385 7.096 6.916 0.964 0.6231 0.5949 -0.9360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36388 11605SOL OW36386 6.586 7.135 1.226 -0.7479 -0.9292 0.0235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36389 11605SOL HW136387 6.518 7.062 1.223 0.6598 -2.3197 0.2088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36390 11605SOL HW236388 6.562 7.201 1.296 -1.9766 -1.3009 -0.0262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36391 11606SOL OW36389 5.863 6.532 0.203 0.7459 -0.1757 0.2544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36392 11606SOL HW136390 5.904 6.454 0.156 -0.4737 0.0877 -1.3588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36393 11606SOL HW236391 5.776 6.504 0.245 -1.6594 0.9015 -3.4480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36394 11607SOL OW36392 6.933 6.201 0.809 0.0863 0.8763 -0.0789
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36395 11607SOL HW136393 6.878 6.225 0.889 -0.1084 0.2375 -0.0196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36396 11607SOL HW236394 7.029 6.226 0.827 -0.1420 1.8317 -0.1198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36397 11608SOL OW36395 6.125 7.080 1.803 -0.3861 -0.1112 0.1435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36398 11608SOL HW136396 6.152 7.170 1.768 -0.0746 -0.4063 -0.3776
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36399 11608SOL HW236397 6.144 7.010 1.734 -0.1680 -0.6430 0.7369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36400 11609SOL OW36398 5.536 5.678 1.491 -0.1258 0.2683 -0.2528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36401 11609SOL HW136399 5.517 5.736 1.412 -1.1864 0.4060 0.0946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36402 11609SOL HW236400 5.487 5.714 1.571 1.1650 0.3173 0.5537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36403 11610SOL OW36401 7.011 5.720 0.852 0.2135 0.3690 -1.0028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36404 11610SOL HW136402 7.079 5.729 0.925 0.4471 -1.0730 -1.0292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36405 11610SOL HW236403 7.032 5.786 0.779 0.4100 1.3018 -0.1279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36406 11611SOL OW36404 5.944 6.041 0.627 0.4000 -0.2616 -0.5373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36407 11611SOL HW136405 5.964 5.944 0.640 -1.3723 -0.5021 0.8147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36408 11611SOL HW236406 5.845 6.053 0.615 0.5007 1.4602 0.1415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36409 11612SOL OW36407 6.867 5.737 1.658 0.1461 0.3398 0.3301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36410 11612SOL HW136408 6.913 5.750 1.746 -1.2640 0.0603 1.1459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36411 11612SOL HW236409 6.806 5.658 1.664 1.2057 -0.6498 -1.4215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36412 11613SOL OW36410 5.944 5.741 0.069 -0.6238 0.0759 0.0184
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36413 11613SOL HW136411 5.976 5.663 0.016 1.6861 1.1343 -0.3000
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36414 11613SOL HW236412 5.903 5.809 0.009 -0.1574 0.2619 -0.0925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36415 11614SOL OW36413 6.285 5.861 1.907 0.1074 0.3036 0.2604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36416 11614SOL HW136414 6.295 5.814 1.818 -2.1144 -0.2866 0.2539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36417 11614SOL HW236415 6.277 5.792 1.979 2.5617 0.7806 1.0826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36418 11615SOL OW36416 6.368 6.969 1.038 -0.0726 0.0176 -0.2089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36419 11615SOL HW136417 6.351 6.888 0.982 -0.6297 0.1927 -0.2951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36420 11615SOL HW236418 6.386 6.941 1.132 0.8563 -0.2764 -0.4605
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36421 11616SOL OW36419 6.679 6.324 1.518 0.3211 -0.3871 0.7575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36422 11616SOL HW136420 6.734 6.243 1.536 0.5397 -0.1516 1.1691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36423 11616SOL HW236421 6.738 6.399 1.490 0.0391 -0.5893 -0.4228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36424 11617SOL OW36422 6.335 6.756 0.897 -0.0106 0.0394 0.3302
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36425 11617SOL HW136423 6.413 6.741 0.836 0.2626 2.3080 0.0329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36426 11617SOL HW236424 6.255 6.781 0.842 -0.9317 -1.9703 0.6580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36427 11618SOL OW36425 6.358 5.907 0.729 -0.3513 0.0838 0.3311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36428 11618SOL HW136426 6.344 5.855 0.645 0.3461 -0.1254 0.3326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36429 11618SOL HW236427 6.446 5.882 0.769 0.5913 2.1466 -0.3137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36430 11619SOL OW36428 5.837 5.594 0.471 -0.3169 0.0965 0.1381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36431 11619SOL HW136429 5.791 5.536 0.404 -0.3221 -0.5396 0.6767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36432 11619SOL HW236430 5.857 5.683 0.430 -2.4938 0.6069 0.0138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36433 11620SOL OW36431 6.820 6.502 0.003 0.4730 -0.0808 0.1539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36434 11620SOL HW136432 6.917 6.514 0.024 -0.1390 3.0726 1.8232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36435 11620SOL HW236433 6.771 6.475 0.085 -0.1846 -1.0081 -0.5337
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36436 11621SOL OW36434 5.567 5.682 0.310 -0.2426 -0.2475 -0.2801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36437 11621SOL HW136435 5.606 5.593 0.286 0.4082 -0.8909 2.7672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36438 11621SOL HW236436 5.641 5.747 0.324 -0.5905 0.1179 -0.1272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36439 11622SOL OW36437 6.480 5.546 0.431 -0.0402 -0.4112 0.4078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36440 11622SOL HW136438 6.505 5.510 0.341 -2.0512 -1.7419 0.3178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36441 11622SOL HW236439 6.407 5.613 0.420 -1.3109 -1.6392 1.1260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36442 11623SOL OW36440 6.436 6.301 1.399 -0.4347 0.3251 0.0246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36443 11623SOL HW136441 6.371 6.244 1.451 -1.7023 -0.3335 -2.1264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36444 11623SOL HW236442 6.524 6.302 1.445 -1.0396 -1.5156 1.3525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36445 11624SOL OW36443 6.893 0.060 0.669 -0.3712 0.4592 -1.2696
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36446 11624SOL HW136444 6.848 0.018 0.747 -0.4243 1.7665 -0.5818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36447 11624SOL HW236445 6.951 -0.008 0.623 0.3254 -0.1067 0.4023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36448 11625SOL OW36446 5.940 6.687 0.817 -0.0366 -0.2754 0.1048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36449 11625SOL HW136447 5.900 6.624 0.883 -0.4888 0.0134 0.1090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36450 11625SOL HW236448 5.868 6.743 0.777 -0.1742 -2.1108 -2.4842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36451 11626SOL OW36449 6.353 5.850 0.003 -0.6618 0.3421 0.9381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36452 11626SOL HW136450 6.345 5.882 0.098 -0.8741 -0.7460 1.2921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36453 11626SOL HW236451 6.449 5.851 -0.024 -0.3940 -0.8669 1.7351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36454 11627SOL OW36452 5.613 5.994 1.348 -0.9645 -0.9763 0.2995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36455 11627SOL HW136453 5.711 6.001 1.328 -1.3504 0.4886 -1.3889
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36456 11627SOL HW236454 5.586 6.069 1.409 -0.9912 -1.5463 0.9945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36457 11628SOL OW36455 5.920 5.494 1.175 -0.1982 -0.1263 0.7851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36458 11628SOL HW136456 5.976 5.441 1.239 -0.9513 -0.7739 0.9171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36459 11628SOL HW236457 5.870 5.565 1.225 -0.9944 -0.8067 0.9544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36460 11629SOL OW36458 6.282 5.772 0.485 0.5450 -0.0692 0.0448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36461 11629SOL HW136459 6.247 5.833 0.413 0.5102 -1.5784 -1.2813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36462 11629SOL HW236460 6.218 5.696 0.498 0.8306 -0.1108 1.3025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36463 11630SOL OW36461 6.704 5.679 0.555 0.1153 -0.1952 -0.0775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36464 11630SOL HW136462 6.634 5.632 0.500 1.0584 -1.7639 0.0313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36465 11630SOL HW236463 6.666 5.701 0.645 -0.5414 -0.1350 -0.3616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36466 11631SOL OW36464 6.855 6.621 0.652 -0.3427 0.0977 -0.4272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36467 11631SOL HW136465 6.914 6.606 0.572 -0.3108 -1.9112 -0.0913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36468 11631SOL HW236466 6.904 6.593 0.735 -1.0241 0.4235 0.0966
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36469 11632SOL OW36467 6.823 6.061 1.085 -0.0980 -0.6936 0.1714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36470 11632SOL HW136468 6.819 5.974 1.037 -1.0700 -1.2544 1.2197
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36471 11632SOL HW236469 6.915 6.076 1.120 0.3792 -0.7098 -1.0354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36472 11633SOL OW36470 7.256 6.377 0.437 -0.0688 -0.2143 0.7031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36473 11633SOL HW136471 7.307 6.315 0.497 0.5039 -0.7288 -0.3048
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36474 11633SOL HW236472 7.214 6.325 0.363 2.1304 0.7865 -1.3647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36475 11634SOL OW36473 5.967 6.757 0.365 -0.1964 -0.4831 0.2831
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36476 11634SOL HW136474 5.880 6.805 0.354 -0.3078 -0.5536 0.8235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36477 11634SOL HW236475 5.971 6.680 0.303 0.2567 0.5935 -1.0710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36478 11635SOL OW36476 6.704 5.845 7.081 0.4504 -0.3459 0.0963
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36479 11635SOL HW136477 6.710 5.877 7.175 2.4162 0.1529 -0.1435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36480 11635SOL HW236478 6.796 5.821 7.048 -0.1484 -0.2304 -1.7847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36481 11636SOL OW36479 5.833 5.821 0.308 0.3695 -0.5165 -0.3800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36482 11636SOL HW136480 5.888 5.791 0.230 1.1938 1.3426 -0.5535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36483 11636SOL HW236481 5.812 5.918 0.298 -0.3826 -0.4991 1.2181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36484 11637SOL OW36482 6.418 6.943 1.306 0.2661 -0.4633 0.1971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36485 11637SOL HW136483 6.345 7.002 1.340 0.1007 -0.7551 0.3621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36486 11637SOL HW236484 6.486 6.930 1.378 0.2221 -0.5968 0.2162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36487 11638SOL OW36485 6.981 6.887 1.541 0.2032 -0.2429 0.3085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36488 11638SOL HW136486 7.016 6.959 1.601 -0.0254 -0.9092 1.2673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36489 11638SOL HW236487 6.924 6.928 1.470 2.3810 0.8190 -0.9548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36490 11639SOL OW36488 6.582 6.609 1.002 0.6436 0.2613 0.1028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36491 11639SOL HW136489 6.666 6.664 1.004 -0.4155 1.9156 0.9192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36492 11639SOL HW236490 6.504 6.668 0.980 -0.4356 -1.0915 0.1762
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36493 11640SOL OW36491 6.999 6.644 1.129 0.1755 -0.0830 -0.3536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36494 11640SOL HW136492 7.034 6.670 1.218 -0.9847 0.8449 -0.1542
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36495 11640SOL HW236493 6.906 6.609 1.138 0.0180 0.0839 -1.2017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36496 11641SOL OW36494 6.330 5.824 1.318 0.0435 0.5233 -0.2045
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36497 11641SOL HW136495 6.357 5.767 1.241 -1.1744 1.4135 -1.3306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36498 11641SOL HW236496 6.394 5.811 1.393 1.1964 -0.4483 -1.3162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36499 11642SOL OW36497 6.514 6.633 1.804 0.4010 -0.1929 0.0058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36500 11642SOL HW136498 6.427 6.680 1.792 0.2578 -0.1765 0.9826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36501 11642SOL HW236499 6.552 6.608 1.715 0.3168 1.4770 -0.5341
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36502 11643SOL OW36500 6.374 6.455 0.202 0.4187 -0.1601 -0.1321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36503 11643SOL HW136501 6.453 6.409 0.162 1.3291 1.5496 -0.3937
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36504 11643SOL HW236502 6.349 6.534 0.147 0.4172 1.0596 1.5291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36505 11644SOL OW36503 5.955 6.311 1.227 0.1659 -0.0077 0.0540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36506 11644SOL HW136504 5.936 6.323 1.325 1.9786 -1.8167 0.6920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36507 11644SOL HW236505 5.927 6.219 1.198 -1.3670 0.8686 -1.4563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36508 11645SOL OW36506 6.612 5.948 1.297 0.2816 0.5018 0.5488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36509 11645SOL HW136507 6.681 6.020 1.293 0.4612 0.3267 0.4303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36510 11645SOL HW236508 6.539 5.968 1.231 -0.0237 0.9317 1.0159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36511 11646SOL OW36509 5.683 7.075 1.198 0.0936 -0.0119 0.7323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36512 11646SOL HW136510 5.686 7.153 1.135 -1.1772 -1.3033 -1.0066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36513 11646SOL HW236511 5.754 7.009 1.173 0.0040 -0.2461 1.0805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36514 11647SOL OW36512 5.661 6.763 0.581 -0.4372 0.7618 -1.1520
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36515 11647SOL HW136513 5.675 6.827 0.505 -0.7197 -1.3016 -3.0549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36516 11647SOL HW236514 5.716 6.681 0.566 -1.1075 -0.0407 0.4950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36517 11648SOL OW36515 6.088 5.828 0.922 -0.2062 0.1454 -0.4825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36518 11648SOL HW136516 6.091 5.823 0.823 0.1247 1.2568 -0.5516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36519 11648SOL HW236517 6.127 5.915 0.952 -0.1859 -0.2238 0.6295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36520 11649SOL OW36518 6.820 6.933 0.563 -0.0551 -0.0646 0.1800
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36521 11649SOL HW136519 6.826 6.891 0.654 1.1543 -2.1572 -0.7753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36522 11649SOL HW236520 6.731 6.976 0.552 -1.1283 -1.7624 1.5685
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36523 11650SOL OW36521 6.999 7.081 1.214 -0.1505 0.3281 -0.4262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36524 11650SOL HW136522 7.081 7.034 1.182 0.4921 1.7184 -0.9190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36525 11650SOL HW236523 6.928 7.014 1.236 2.0207 -1.1242 2.7737
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36526 11651SOL OW36524 6.967 5.950 0.684 -0.0705 0.1145 -0.0024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36527 11651SOL HW136525 6.897 5.931 0.614 -1.7461 -0.0415 1.6386
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36528 11651SOL HW236526 6.942 6.034 0.733 0.7487 -0.1192 0.8226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36529 11652SOL OW36527 6.000 7.191 1.200 -0.1959 -0.1560 0.2092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36530 11652SOL HW136528 5.986 7.092 1.193 -0.8452 -0.0720 0.2404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36531 11652SOL HW236529 6.084 7.217 1.152 0.2630 -0.7911 0.6534
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36532 11653SOL OW36530 5.971 6.283 1.528 -0.3571 0.1480 -0.5676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36533 11653SOL HW136531 5.992 6.187 1.548 -1.2176 -0.8287 -3.8059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36534 11653SOL HW236532 6.054 6.337 1.534 0.4808 -1.1161 -0.2905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36535 11654SOL OW36533 7.113 6.309 1.688 -0.1680 -0.0528 0.5311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36536 11654SOL HW136534 7.030 6.356 1.720 -0.0932 -0.3988 1.2475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36537 11654SOL HW236535 7.121 6.320 1.589 -0.5361 0.8363 0.5884
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36538 11655SOL OW36536 6.568 5.544 1.943 -0.1537 -0.6532 -0.8074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36539 11655SOL HW136537 6.583 5.584 1.852 -1.6853 -1.2046 -1.3249
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36540 11655SOL HW236538 6.539 5.449 1.933 1.7240 -1.3967 0.3585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36541 11656SOL OW36539 5.811 5.731 1.769 0.2105 -0.0060 -0.2958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36542 11656SOL HW136540 5.784 5.651 1.715 -1.9106 -0.4627 1.2857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36543 11656SOL HW236541 5.773 5.813 1.727 0.5609 -0.0630 -0.7396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36544 11657SOL OW36542 6.117 6.358 1.044 -0.0362 -0.0906 0.3223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36545 11657SOL HW136543 6.057 6.339 1.122 1.0715 -1.9196 0.7712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36546 11657SOL HW236544 6.086 6.306 0.965 -1.4451 2.1284 -0.6593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36547 11658SOL OW36545 6.689 6.288 1.073 -0.7600 0.5180 0.2974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36548 11658SOL HW136546 6.607 6.298 1.129 -1.1926 0.6798 -0.3490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36549 11658SOL HW236547 6.727 6.196 1.084 -1.2814 0.2956 0.2674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36550 11659SOL OW36548 6.682 5.891 0.113 -0.5168 -0.1318 0.6123
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36551 11659SOL HW136549 6.767 5.887 0.166 -0.1223 -2.4593 -0.0971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36552 11659SOL HW236550 6.606 5.863 0.171 -0.0024 -3.3044 -0.0463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36553 11660SOL OW36551 5.642 5.717 1.109 0.9019 -0.6771 -0.5415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36554 11660SOL HW136552 5.701 5.711 1.189 -0.9150 -1.5166 0.7932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36555 11660SOL HW236553 5.644 5.631 1.059 -0.2321 -1.2130 0.3013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36556 11661SOL OW36554 5.529 6.828 1.206 0.0658 0.3710 -0.4850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36557 11661SOL HW136555 5.575 6.766 1.271 0.4945 1.5791 0.4038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36558 11661SOL HW236556 5.576 6.916 1.206 0.5579 0.1851 -3.0491
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36559 11662SOL OW36557 6.241 6.044 0.918 1.0593 0.3215 0.4629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36560 11662SOL HW136558 6.278 5.999 0.837 0.1835 -1.0767 0.8037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36561 11662SOL HW236559 6.182 6.120 0.891 -0.3114 -0.9646 -0.2964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36562 11663SOL OW36560 5.775 5.484 0.737 0.0022 -0.3475 -0.3550
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36563 11663SOL HW136561 5.787 5.548 0.661 1.2823 -0.5112 -0.3209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36564 11663SOL HW236562 5.856 5.425 0.743 0.4470 0.3856 1.8065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36565 11664SOL OW36563 7.179 6.155 7.225 -0.1265 0.8352 -0.4023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36566 11664SOL HW136564 7.175 6.217 7.303 -0.6539 2.2135 -1.4771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36567 11664SOL HW236565 7.092 6.158 7.176 -0.3319 -1.1516 -0.2172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36568 11665SOL OW36566 6.521 6.258 0.816 0.1616 -0.0306 -0.2980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36569 11665SOL HW136567 6.473 6.174 0.843 1.1387 -0.6786 -0.5370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36570 11665SOL HW236568 6.582 6.287 0.890 1.3789 -0.7069 -1.0212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36571 11666SOL OW36569 6.541 7.025 1.709 0.6837 -0.5110 -0.4874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36572 11666SOL HW136570 6.528 7.123 1.726 -0.4221 -0.7301 0.0599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36573 11666SOL HW236571 6.615 6.990 1.767 -0.5033 -0.4673 1.1312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36574 11667SOL OW36572 5.875 6.523 1.593 0.1522 -0.2751 -0.4066
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36575 11667SOL HW136573 5.945 6.560 1.653 -1.2446 -0.2604 1.3090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36576 11667SOL HW236574 5.916 6.455 1.531 1.7921 0.3643 -0.0637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36577 11668SOL OW36575 6.999 5.759 7.253 -0.3151 -0.3988 -0.6204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36578 11668SOL HW136576 6.961 5.711 7.332 1.4018 -0.8229 -0.0046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36579 11668SOL HW236577 7.083 5.805 7.279 0.6200 -1.0337 -2.3331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36580 11669SOL OW36578 6.896 6.115 6.806 -0.2552 -0.3110 -0.1687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36581 11669SOL HW136579 6.810 6.085 6.764 1.3338 -1.6384 -2.7713
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36582 11669SOL HW236580 6.913 6.211 6.783 0.0042 -0.6868 -1.6858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36583 11670SOL OW36581 6.558 6.739 0.724 -0.8399 0.1517 0.1604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36584 11670SOL HW136582 6.555 6.784 0.635 1.0845 1.4696 0.6692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36585 11670SOL HW236583 6.638 6.773 0.775 -1.5885 -0.9412 2.1802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36586 11671SOL OW36584 5.797 6.306 0.942 0.0831 0.4771 -0.5145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36587 11671SOL HW136585 5.828 6.397 0.972 1.9970 -0.8332 1.8023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36588 11671SOL HW236586 5.873 6.257 0.901 0.5086 -1.7516 2.6106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36589 11672SOL OW36587 5.888 6.006 0.986 0.1628 0.0109 0.4591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36590 11672SOL HW136588 5.788 6.006 0.980 0.1096 -1.0615 1.1078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36591 11672SOL HW236589 5.923 5.918 0.955 0.7403 -0.4380 2.2675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36592 11673SOL OW36590 6.418 5.963 1.642 -0.5530 -0.0001 0.2182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36593 11673SOL HW136591 6.357 6.021 1.587 0.1111 -0.9618 -1.6219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36594 11673SOL HW236592 6.486 6.020 1.687 -0.8286 0.7946 -0.3282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36595 11674SOL OW36593 6.551 5.766 1.495 -0.4366 -0.3761 0.2871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36596 11674SOL HW136594 6.527 5.832 1.566 0.1940 0.0894 0.0752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36597 11674SOL HW236595 6.586 5.814 1.415 0.6283 -0.9841 0.3693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36598 11675SOL OW36596 5.564 6.833 0.144 -0.0493 0.6070 0.1250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36599 11675SOL HW136597 5.522 6.883 0.067 0.5270 1.5960 0.4340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36600 11675SOL HW236598 5.498 6.768 0.181 -0.3003 0.0310 -1.2744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36601 11676SOL OW36599 6.071 7.235 0.750 0.2784 -0.2021 0.1364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36602 11676SOL HW136600 6.171 7.233 0.755 0.2372 -1.1899 0.8781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36603 11676SOL HW236601 6.033 7.229 0.842 -0.4714 0.6172 -0.1088
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36604 11677SOL OW36602 6.374 6.271 1.155 -0.0738 -0.4149 0.2202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36605 11677SOL HW136603 6.391 6.287 1.252 0.7633 1.8240 -0.2311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36606 11677SOL HW236604 6.290 6.317 1.127 -0.2936 -1.0183 -0.1269
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36607 11678SOL OW36605 5.642 6.216 1.163 0.2306 0.1103 0.2182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36608 11678SOL HW136606 5.690 6.226 1.075 0.0448 -2.0793 -0.2054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36609 11678SOL HW236607 5.642 6.119 1.189 0.9896 0.7893 3.0728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36610 11679SOL OW36608 5.711 5.936 1.592 0.2386 0.0032 0.1914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36611 11679SOL HW136609 5.670 5.871 1.528 2.6179 0.7363 -2.2802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36612 11679SOL HW236610 5.660 6.022 1.590 -0.0587 -0.1816 -0.2811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36613 11680SOL OW36611 6.892 6.461 1.697 -1.0486 -0.0937 -0.2276
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36614 11680SOL HW136612 6.903 6.545 1.750 3.5898 -0.8116 0.3619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36615 11680SOL HW236613 6.914 6.479 1.601 0.7833 -0.7158 0.0476
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36616 11681SOL OW36614 6.186 5.891 0.252 0.1352 -0.0601 0.0213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36617 11681SOL HW136615 6.137 5.814 0.213 -0.0066 0.8527 -1.6891
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36618 11681SOL HW236616 6.123 5.967 0.267 0.5377 0.2303 0.2721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36619 11682SOL OW36617 5.849 7.217 1.643 -0.3576 0.1444 -0.6802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36620 11682SOL HW136618 5.859 7.290 1.712 0.2364 -0.3406 -0.2510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36621 11682SOL HW236619 5.762 7.228 1.596 -0.5202 0.8181 -0.2425
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36622 11683SOL OW36620 6.181 6.029 1.240 0.9054 0.6164 0.7710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36623 11683SOL HW136621 6.235 5.948 1.261 0.7323 0.2156 -0.2349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36624 11683SOL HW236622 6.187 6.047 1.141 0.4733 1.4859 0.8996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36625 11684SOL OW36623 5.781 6.126 0.308 0.4966 1.2353 -0.0175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36626 11684SOL HW136624 5.880 6.114 0.314 0.3921 -1.0176 -1.6192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36627 11684SOL HW236625 5.738 6.099 0.394 1.1492 0.3103 0.0240
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36628 11685SOL OW36626 5.612 6.661 1.418 0.2978 -0.4505 -1.1746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36629 11685SOL HW136627 5.638 6.666 1.515 -0.1755 -1.3002 -0.9957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36630 11685SOL HW236628 5.594 6.565 1.394 -1.3546 -0.0455 -1.6338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36631 11686SOL OW36629 6.775 6.507 1.166 -0.4090 -0.1255 -0.5134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36632 11686SOL HW136630 6.771 6.415 1.127 -0.0604 -0.1806 -0.4148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36633 11686SOL HW236631 6.690 6.555 1.144 -0.8739 -0.6899 -0.0128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36634 11687SOL OW36632 6.935 6.135 0.269 0.3750 -0.2202 0.2949
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36635 11687SOL HW136633 6.853 6.161 0.218 0.1781 0.7458 1.0798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36636 11687SOL HW236634 6.929 6.039 0.295 0.4394 -0.7204 -1.3918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36637 11688SOL OW36635 7.222 6.988 1.089 -0.2846 -0.2267 0.2024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36638 11688SOL HW136636 7.276 7.065 1.054 -1.3923 -0.3844 -2.0503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36639 11688SOL HW236637 7.283 6.912 1.112 0.7760 1.1180 2.0962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36640 11689SOL OW36638 6.881 7.196 0.985 -0.3037 -0.1045 -0.3422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36641 11689SOL HW136639 6.881 7.295 1.000 0.1671 -0.1390 -0.1417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36642 11689SOL HW236640 6.914 7.150 1.068 -0.3434 -0.4180 -0.4984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36643 11690SOL OW36641 5.487 6.628 1.026 -0.3143 -0.2964 0.3766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36644 11690SOL HW136642 5.488 6.705 1.090 -2.1246 0.6586 -0.6688
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36645 11690SOL HW236643 5.422 6.647 0.952 2.2177 -1.0013 -2.2228
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36646 11691SOL OW36644 6.432 5.506 6.998 -0.3595 -0.0462 -0.7682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36647 11691SOL HW136645 6.429 5.606 6.998 0.0844 0.0351 1.8407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36648 11691SOL HW236646 6.516 5.474 6.954 -1.2069 0.6006 -3.0076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36649 11692SOL OW36647 7.233 0.071 0.536 0.0542 -0.1928 0.1376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36650 11692SOL HW136648 7.234 0.132 0.458 -2.0890 0.0095 0.1899
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36651 11692SOL HW236649 7.157 0.006 0.526 -0.8574 0.4223 2.4143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36652 11693SOL OW36650 5.586 0.090 1.800 0.2303 0.4804 -0.3489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36653 11693SOL HW136651 5.595 0.003 1.848 1.9794 1.0278 0.3995
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36654 11693SOL HW236652 5.677 0.127 1.781 -0.3882 0.5150 -3.7796
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36655 11694SOL OW36653 6.959 6.291 0.532 0.6003 -0.3745 -0.1254
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36656 11694SOL HW136654 6.962 6.273 0.630 1.0085 -1.0902 -0.2629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36657 11694SOL HW236655 6.936 6.206 0.483 -2.2730 0.5002 -0.5004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36658 11695SOL OW36656 6.059 6.804 1.525 -0.3455 -0.6523 -0.1759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36659 11695SOL HW136657 6.096 6.754 1.603 -1.7106 -2.8001 -0.8095
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36660 11695SOL HW236658 5.971 6.845 1.552 -1.1685 -1.9906 -0.7093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36661 11696SOL OW36659 6.016 7.006 0.023 -0.1720 -0.6880 -0.2740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36662 11696SOL HW136660 5.968 7.049 0.100 0.0295 -1.8697 0.5389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36663 11696SOL HW236661 6.006 6.907 0.029 -0.8780 -0.7645 -2.2792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36664 11697SOL OW36662 5.708 5.776 0.759 -0.4088 0.4139 0.6537
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36665 11697SOL HW136663 5.615 5.794 0.726 -1.1087 -1.3661 1.4641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36666 11697SOL HW236664 5.709 5.779 0.859 -0.3223 -2.2698 0.8232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36667 11698SOL OW36665 6.659 7.122 0.201 0.0684 0.2498 0.1447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36668 11698SOL HW136666 6.729 7.073 0.149 -0.1927 -0.1972 0.2033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36669 11698SOL HW236667 6.570 7.106 0.158 0.0052 0.8500 0.0434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36670 11699SOL OW36668 6.332 6.672 1.350 0.3141 0.7861 -0.0771
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36671 11699SOL HW136669 6.304 6.636 1.261 -1.7230 -1.0998 1.2299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36672 11699SOL HW236670 6.329 6.772 1.348 -0.6545 0.7700 -1.8241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36673 11700SOL OW36671 6.461 6.119 0.137 -0.7529 0.0420 -0.1628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36674 11700SOL HW136672 6.552 6.160 0.136 -0.1409 -1.2796 -0.8975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36675 11700SOL HW236673 6.461 6.039 0.197 -1.2982 -0.2356 -0.5263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36676 11701SOL OW36674 5.820 6.942 1.588 -0.7141 0.2941 0.4461
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36677 11701SOL HW136675 5.786 6.884 1.662 1.5272 1.0635 2.2138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36678 11701SOL HW236676 5.848 7.031 1.625 -0.1084 0.9420 -1.4376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36679 11702SOL OW36677 6.639 6.582 0.473 0.0638 0.3806 -0.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36680 11702SOL HW136678 6.578 6.556 0.548 1.0352 -0.9077 0.2677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36681 11702SOL HW236679 6.723 6.621 0.510 0.5731 -0.3122 -0.5105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36682 11703SOL OW36680 6.568 5.758 0.789 -0.5091 0.0687 0.6690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36683 11703SOL HW136681 6.528 5.671 0.818 -0.1917 -0.7730 -1.2672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36684 11703SOL HW236682 6.633 5.789 0.858 -0.5883 -1.2668 1.3816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36685 11704SOL OW36683 6.218 6.737 0.476 -0.5283 -0.0078 0.2803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36686 11704SOL HW136684 6.249 6.643 0.466 0.6936 0.4314 -0.2669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36687 11704SOL HW236685 6.140 6.753 0.415 -0.0797 -0.3901 -0.4078
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36688 11705SOL OW36686 5.738 6.895 0.338 -0.6710 0.2729 0.1313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36689 11705SOL HW136687 5.675 6.860 0.268 0.9885 -1.0235 -0.7951
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36690 11705SOL HW236688 5.769 6.986 0.313 -2.6025 1.1962 0.9212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36691 11706SOL OW36689 5.652 6.634 1.689 -0.6704 0.0074 -0.3792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36692 11706SOL HW136690 5.569 6.580 1.700 -0.7319 0.4128 1.5072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36693 11706SOL HW236691 5.724 6.577 1.651 -0.9511 -1.2464 0.8705
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36694 11707SOL OW36692 6.054 5.789 1.406 0.2250 0.1514 0.7020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36695 11707SOL HW136693 6.151 5.784 1.384 0.2257 0.7598 0.5369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36696 11707SOL HW236694 6.041 5.849 1.485 -0.2439 2.4519 -1.0155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36697 11708SOL OW36695 5.568 5.993 7.164 0.2351 0.0984 0.3403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36698 11708SOL HW136696 5.524 5.927 7.103 -1.4037 -1.7160 3.2529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36699 11708SOL HW236697 5.513 6.077 7.166 -0.7124 -0.5062 0.6311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36700 11709SOL OW36698 6.877 6.480 1.408 -0.1715 -0.1513 0.3636
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36701 11709SOL HW136699 6.832 6.487 1.319 0.3607 0.7299 0.1479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36702 11709SOL HW236700 6.969 6.443 1.396 0.3032 0.9876 0.3952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36703 11710SOL OW36701 5.454 5.910 0.147 0.4764 0.2504 0.0711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36704 11710SOL HW136702 5.498 5.997 0.123 0.2518 0.1742 -0.6664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36705 11710SOL HW236703 5.508 5.862 0.215 -0.0147 1.5280 1.4229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36706 11711SOL OW36704 6.702 6.430 0.252 0.4003 0.3404 -0.3660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36707 11711SOL HW136705 6.633 6.451 0.322 1.0887 0.7226 0.2067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36708 11711SOL HW236706 6.793 6.439 0.292 0.7914 0.2505 -1.2351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36709 11712SOL OW36707 6.184 6.469 1.444 0.2095 0.3734 0.0832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36710 11712SOL HW136708 6.241 6.551 1.438 0.3297 0.2438 -0.6300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36711 11712SOL HW236709 6.242 6.388 1.433 0.1361 0.1746 1.0718
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36712 11713SOL OW36710 6.865 0.216 1.044 0.4878 0.0074 -0.1689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36713 11713SOL HW136711 6.958 0.212 1.080 0.0570 -2.2272 0.9015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36714 11713SOL HW236712 6.804 0.257 1.111 0.4575 0.0983 -0.2519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36715 11714SOL OW36713 6.134 6.090 1.831 -0.2621 -0.1259 -0.0024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36716 11714SOL HW136714 6.151 6.188 1.828 -0.7854 0.0011 0.8807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36717 11714SOL HW236715 6.219 6.042 1.856 0.3210 -0.0245 -1.6704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36718 11715SOL OW36716 6.931 6.728 1.767 -0.7851 -0.0759 0.0979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36719 11715SOL HW136717 7.013 6.736 1.824 0.1385 -2.1412 -0.8168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36720 11715SOL HW236718 6.943 6.784 1.684 0.3910 -1.4707 -0.7187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36721 11716SOL OW36719 7.218 6.436 1.091 0.2770 -0.5718 0.2586
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36722 11716SOL HW136720 7.196 6.412 0.996 1.5257 -1.0229 0.0672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36723 11716SOL HW236721 7.156 6.508 1.122 0.0150 -0.2352 -0.9859
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36724 11717SOL OW36722 6.933 5.852 0.274 0.1353 -0.3548 -0.6680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36725 11717SOL HW136723 7.009 5.792 0.301 0.4317 -0.1944 -1.1406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36726 11717SOL HW236724 6.881 5.878 0.356 0.8131 -0.1641 -0.2918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36727 11718SOL OW36725 6.055 6.209 0.812 -0.0855 -0.0155 0.4420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36728 11718SOL HW136726 6.076 6.289 0.755 0.0407 -0.1827 0.2504
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36729 11718SOL HW236727 6.025 6.133 0.753 -2.7813 0.6801 0.8148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36730 11719SOL OW36728 7.169 6.413 1.418 -0.3475 0.2677 0.1861
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36731 11719SOL HW136729 7.174 6.510 1.396 1.9050 0.3174 0.7339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36732 11719SOL HW236730 7.240 6.363 1.369 -0.5933 -0.8984 0.9640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36733 11720SOL OW36731 6.394 6.695 0.051 0.1962 -0.7574 -0.0585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36734 11720SOL HW136732 6.475 6.726 0.102 1.2722 -1.9950 -0.9647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36735 11720SOL HW236733 6.336 6.774 0.031 1.6080 0.3053 -0.1454
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36736 11721SOL OW36734 6.467 6.479 0.660 -0.2596 0.6079 0.3533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36737 11721SOL HW136735 6.499 6.412 0.727 0.7798 1.1833 0.4619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36738 11721SOL HW236736 6.479 6.571 0.698 2.2098 1.0823 -1.3038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36739 11722SOL OW36737 6.721 6.181 0.036 0.2155 -0.1140 -0.1323
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36740 11722SOL HW136738 6.781 6.176 -0.045 0.4676 -1.5916 0.1301
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36741 11722SOL HW236739 6.704 6.089 0.070 -0.6578 0.4371 0.9558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36742 11723SOL OW36740 7.222 7.110 0.767 -0.3343 0.3243 0.2678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36743 11723SOL HW136741 7.160 7.163 0.709 0.4865 -0.2840 -1.2390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36744 11723SOL HW236742 7.195 7.120 0.863 -0.6360 2.8811 -0.0065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36745 11724SOL OW36743 5.758 6.819 1.821 0.0544 0.0673 -0.7202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36746 11724SOL HW136744 5.716 6.738 1.780 0.9780 -0.1927 -1.1858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36747 11724SOL HW236745 5.722 6.833 1.914 -1.2674 0.0419 -1.2101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36748 11725SOL OW36746 5.399 6.821 0.648 -0.2204 -0.2740 -0.2765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36749 11725SOL HW136747 5.493 6.789 0.637 -0.2772 0.1452 -2.4503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36750 11725SOL HW236748 5.376 6.883 0.573 -1.3972 1.7592 1.6642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36751 11726SOL OW36749 6.206 7.052 1.437 0.2494 -0.3936 -0.3313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36752 11726SOL HW136750 6.160 7.140 1.447 -0.5725 -0.6171 -1.8678
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36753 11726SOL HW236751 6.154 6.982 1.486 -0.5111 -0.4627 -1.2172
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36754 11727SOL OW36752 0.156 5.897 1.150 0.1112 0.0541 0.0764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36755 11727SOL HW136753 0.122 5.838 1.077 0.8999 0.9508 -1.0714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36756 11727SOL HW236754 0.097 5.978 1.158 -0.9555 -0.8261 1.6272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36757 11728SOL OW36755 5.991 5.765 0.673 -0.4766 0.2282 0.1329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36758 11728SOL HW136756 5.980 5.702 0.596 -2.3350 -0.5184 0.9297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36759 11728SOL HW236757 5.905 5.768 0.725 0.9195 0.1206 2.5972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36760 11729SOL OW36758 5.905 5.997 1.255 -0.1963 -0.4988 0.3723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36761 11729SOL HW136759 6.004 6.010 1.262 -0.3937 0.6894 1.3936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36762 11729SOL HW236760 5.880 5.977 1.160 0.7525 2.0192 -0.4786
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36763 11730SOL OW36761 6.332 6.984 0.381 0.0677 -0.8347 0.4252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36764 11730SOL HW136762 6.303 7.078 0.400 -0.2384 -0.7088 -0.5890
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36765 11730SOL HW236763 6.310 6.926 0.459 1.2688 0.1376 1.5175
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36766 11731SOL OW36764 6.792 5.762 1.236 -0.2992 0.1658 0.2238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36767 11731SOL HW136765 6.773 5.664 1.230 -2.3341 0.5188 0.1081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36768 11731SOL HW236766 6.706 5.812 1.247 0.6861 1.9561 0.1843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36769 11732SOL OW36767 6.448 5.595 1.175 -0.4878 -0.1085 -0.1086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36770 11732SOL HW136768 6.389 5.523 1.139 -0.7123 0.2456 -0.4580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36771 11732SOL HW236769 6.544 5.570 1.158 -0.5995 0.1899 -1.2315
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36772 11733SOL OW36770 6.279 6.475 0.457 -0.4100 -0.1605 -0.4733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36773 11733SOL HW136771 6.321 6.455 0.368 0.2228 -3.8119 0.5015
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36774 11733SOL HW236772 6.348 6.468 0.529 -1.6233 -0.9829 0.6523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36775 11734SOL OW36773 6.244 7.193 1.069 -0.3636 0.1737 -0.6908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36776 11734SOL HW136774 6.305 7.271 1.079 -0.8963 0.7903 -2.1202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36777 11734SOL HW236775 6.296 7.113 1.039 0.2058 -0.0976 0.9038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36778 11735SOL OW36776 6.837 5.525 0.091 0.0863 -0.9913 -0.2524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36779 11735SOL HW136777 6.825 5.456 0.020 -0.2309 -2.3548 1.0654
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36780 11735SOL HW236778 6.753 5.532 0.145 -0.6455 1.9725 -1.6043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36781 11736SOL OW36779 6.776 5.928 0.479 0.0960 0.4302 -0.2477
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36782 11736SOL HW136780 6.706 6.000 0.472 -1.0007 -0.7811 -2.9788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36783 11736SOL HW236781 6.733 5.842 0.505 1.0280 0.1869 0.5655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36784 11737SOL OW36782 7.107 5.757 1.102 -0.3096 -0.0377 0.5004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36785 11737SOL HW136783 7.049 5.754 1.183 -1.0107 1.5255 0.0987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36786 11737SOL HW236784 7.182 5.692 1.112 0.5718 1.2518 3.1419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36787 11738SOL OW36785 5.447 6.588 0.371 0.5015 -0.1501 0.4616
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36788 11738SOL HW136786 5.461 6.544 0.282 0.6430 -0.7602 0.7791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36789 11738SOL HW236787 5.533 6.587 0.422 0.3775 0.0398 0.6735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36790 11739SOL OW36788 5.700 5.957 1.905 0.3294 0.3927 -0.1661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36791 11739SOL HW136789 5.770 6.027 1.899 0.5596 0.2484 0.6972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36792 11739SOL HW236790 5.618 5.987 1.856 0.8831 0.6798 -0.9356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36793 11740SOL OW36791 5.651 5.933 2.875 0.9802 0.5749 0.4157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36794 11740SOL HW136792 5.673 5.872 2.951 1.0685 0.3909 0.2453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36795 11740SOL HW236793 5.578 5.892 2.820 1.3768 0.3875 0.0230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36796 11741SOL OW36794 5.467 5.980 2.546 0.6864 -0.2625 -0.1681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36797 11741SOL HW136795 5.387 5.982 2.486 0.6048 3.1125 -0.1363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36798 11741SOL HW236796 5.550 5.976 2.491 0.5695 -0.3242 -0.3431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36799 11742SOL OW36797 6.092 6.726 2.983 -0.9292 0.5712 -0.1167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36800 11742SOL HW136798 6.113 6.712 3.080 -1.0316 1.8046 0.1014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36801 11742SOL HW236799 5.994 6.745 2.972 -1.4336 -1.9606 -0.7711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36802 11743SOL OW36800 7.182 7.002 2.626 0.5788 -0.1931 0.3346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36803 11743SOL HW136801 7.139 6.943 2.694 -1.1570 -0.2614 -0.7647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36804 11743SOL HW236802 7.147 6.979 2.535 2.3836 0.3083 -0.5305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36805 11744SOL OW36803 6.714 6.190 2.538 0.0778 0.1692 -0.5538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36806 11744SOL HW136804 6.729 6.289 2.545 -0.3483 0.1346 1.1359
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36807 11744SOL HW236805 6.668 6.157 2.620 -0.1699 -1.3829 -1.2808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36808 11745SOL OW36806 0.064 6.003 1.941 -0.3572 0.3001 0.0944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36809 11745SOL HW136807 0.004 6.024 1.864 1.5553 -0.1647 -1.6189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36810 11745SOL HW236808 0.024 5.930 1.996 -1.8882 0.8342 -0.2634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36811 11746SOL OW36809 6.165 6.653 2.738 -0.1400 -1.2086 -0.2874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36812 11746SOL HW136810 6.140 6.687 2.829 0.7288 -2.8430 0.6178
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36813 11746SOL HW236811 6.190 6.730 2.679 -3.0085 0.1032 0.0698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36814 11747SOL OW36812 6.384 6.132 3.623 -0.2225 0.1629 -0.1593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36815 11747SOL HW136813 6.420 6.059 3.681 -1.0039 -0.4237 -0.4031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36816 11747SOL HW236814 6.454 6.203 3.612 0.8097 -0.8843 -0.5203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36817 11748SOL OW36815 6.213 6.513 2.318 0.0275 -0.6966 -0.5093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36818 11748SOL HW136816 6.223 6.473 2.409 2.3762 0.6965 -0.0677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36819 11748SOL HW236817 6.192 6.611 2.326 1.1467 -0.3573 -1.4288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36820 11749SOL OW36818 6.086 6.733 3.776 0.1288 0.0819 -0.0714
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36821 11749SOL HW136819 6.062 6.672 3.852 -1.5558 0.2509 -0.4373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36822 11749SOL HW236820 6.015 6.728 3.706 -0.0224 2.3998 -0.1510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36823 11750SOL OW36821 5.802 7.233 2.851 -0.1619 -0.0214 -0.2416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36824 11750SOL HW136822 5.861 7.268 2.924 -1.3175 -0.3479 0.8846
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36825 11750SOL HW236823 5.795 7.301 2.779 1.5704 0.0178 -0.4258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36826 11751SOL OW36824 6.751 6.798 3.229 -0.2079 0.4883 -0.0700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36827 11751SOL HW136825 6.805 6.859 3.287 0.3199 -0.0232 -0.0127
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36828 11751SOL HW236826 6.656 6.829 3.227 0.0740 1.3756 -0.1339
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36829 11752SOL OW36827 6.129 6.063 3.175 0.3717 0.3881 0.2788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36830 11752SOL HW136828 6.191 6.009 3.231 -0.8087 -2.6317 -1.0912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36831 11752SOL HW236829 6.176 6.095 3.093 0.4717 -0.8807 -0.1815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36832 11753SOL OW36830 6.568 6.969 3.459 -0.0091 0.3569 0.4637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36833 11753SOL HW136831 6.633 6.928 3.522 1.9016 0.6794 -1.1930
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36834 11753SOL HW236832 6.519 7.043 3.505 2.1403 1.3552 1.2946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36835 11754SOL OW36833 5.804 7.095 2.298 0.4233 1.1259 0.1479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36836 11754SOL HW136834 5.877 7.065 2.236 0.3632 1.5046 -0.1084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36837 11754SOL HW236835 5.807 7.194 2.308 -0.0757 1.1471 0.1110
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36838 11755SOL OW36836 5.926 6.766 2.513 -0.4741 0.3382 -0.0373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36839 11755SOL HW136837 5.935 6.667 2.527 -0.2897 0.4383 0.6016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36840 11755SOL HW236838 5.956 6.814 2.596 -3.5428 0.8341 0.9118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36841 11756SOL OW36839 6.078 6.632 1.742 -0.1529 -0.5394 -0.5057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36842 11756SOL HW136840 6.064 6.716 1.795 -1.6326 -0.4974 -0.9089
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36843 11756SOL HW236841 6.076 6.553 1.804 2.8019 -0.2443 0.0985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36844 11757SOL OW36842 7.180 5.762 3.707 -0.1781 -0.3392 -0.0844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36845 11757SOL HW136843 7.117 5.770 3.630 -0.0228 -1.6919 -0.3701
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36846 11757SOL HW236844 7.175 5.845 3.763 -3.1380 -0.8902 0.6330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36847 11758SOL OW36845 5.517 6.288 2.523 -0.1027 -0.0339 -0.1781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36848 11758SOL HW136846 5.450 6.239 2.578 0.8294 -1.4210 -0.2357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36849 11758SOL HW236847 5.590 6.323 2.581 -1.1739 2.1154 -0.0099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36850 11759SOL OW36848 5.616 7.126 1.977 0.2894 -0.3306 -0.7091
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36851 11759SOL HW136849 5.527 7.155 2.013 0.6107 -0.0220 -0.1563
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36852 11759SOL HW236850 5.645 7.043 2.025 0.0406 -0.7720 -1.2936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36853 11760SOL OW36851 7.160 6.308 2.408 0.3670 0.5001 0.7655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36854 11760SOL HW136852 7.234 6.366 2.373 0.4331 1.2767 2.1169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36855 11760SOL HW236853 7.092 6.293 2.337 0.8076 1.4779 0.1221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36856 11761SOL OW36854 5.814 6.217 3.590 0.5045 0.1316 -0.1257
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36857 11761SOL HW136855 5.897 6.266 3.565 -0.5454 1.4567 -1.1311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36858 11761SOL HW236856 5.742 6.282 3.614 -0.2126 -0.9913 0.9255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36859 11762SOL OW36857 6.185 7.012 2.413 -0.2275 -0.3488 0.3716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36860 11762SOL HW136858 6.153 6.935 2.358 0.5462 -0.0543 -0.5229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36861 11762SOL HW236859 6.184 7.095 2.357 1.1890 -0.1669 0.5708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36862 11763SOL OW36860 6.481 6.480 3.300 -0.7072 0.2067 -0.1900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36863 11763SOL HW136861 6.512 6.400 3.352 -0.6290 0.8786 0.8357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36864 11763SOL HW236862 6.452 6.551 3.364 -0.6189 1.0611 -1.0790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36865 11764SOL OW36863 6.423 5.549 2.218 -0.4017 0.2050 0.0719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36866 11764SOL HW136864 6.476 5.631 2.194 -1.0756 -0.0384 -2.6209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36867 11764SOL HW236865 6.336 5.576 2.258 -1.0025 0.8970 -1.6174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36868 11765SOL OW36866 5.812 6.613 3.171 0.0403 0.2372 0.4072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36869 11765SOL HW136867 5.866 6.530 3.152 -0.0119 0.2994 -0.0262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36870 11765SOL HW236868 5.804 6.667 3.087 -0.0286 0.6236 0.6618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36871 11766SOL OW36869 7.256 6.342 2.134 -0.1106 -0.0635 -0.2948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36872 11766SOL HW136870 7.159 6.318 2.139 -0.4166 1.1285 -0.1989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36873 11766SOL HW236871 7.312 6.260 2.146 -1.1121 -1.3981 -3.7971
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36874 11767SOL OW36872 5.734 5.867 3.782 -0.4900 -0.0449 0.2755
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36875 11767SOL HW136873 5.764 5.959 3.807 2.9138 -0.3016 -2.0529
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36876 11767SOL HW236874 5.718 5.864 3.683 -2.0939 -1.6440 0.5405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36877 11768SOL OW36875 6.960 6.866 2.767 0.7098 0.4708 -0.0138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36878 11768SOL HW136876 6.944 6.884 2.864 -0.3743 -0.4388 -0.0073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36879 11768SOL HW236877 6.998 6.774 2.756 -3.1982 -1.2911 -0.6553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36880 11769SOL OW36878 7.133 7.226 2.775 -0.0452 0.7079 -0.2223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36881 11769SOL HW136879 7.227 7.261 2.775 0.2259 0.0047 0.1719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36882 11769SOL HW236880 7.131 7.138 2.729 -0.6151 0.9626 -0.6931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36883 11770SOL OW36881 5.886 6.147 1.948 -0.4976 0.3782 0.1689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36884 11770SOL HW136882 5.977 6.131 1.908 -0.7821 0.4619 -0.5160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36885 11770SOL HW236883 5.876 6.244 1.969 -0.0313 0.2075 1.2360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36886 11771SOL OW36884 6.720 5.894 2.614 0.7386 -0.0832 -0.3028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36887 11771SOL HW136885 6.756 5.819 2.670 -1.5553 -0.4371 0.8192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36888 11771SOL HW236886 6.679 5.963 2.673 -2.2869 -0.7455 -1.4129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36889 11772SOL OW36887 6.926 0.002 2.200 -0.1259 -0.2450 0.0522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36890 11772SOL HW136888 7.003 0.055 2.167 1.1203 -1.2845 1.1673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36891 11772SOL HW236889 6.922 -0.086 2.151 0.3709 -0.8369 1.0527
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36892 11773SOL OW36890 6.497 5.978 3.248 -0.2378 -0.0023 -0.2235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36893 11773SOL HW136891 6.416 5.988 3.307 0.1447 -0.7495 0.4407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36894 11773SOL HW236892 6.545 5.894 3.271 0.0974 -0.1565 -1.4067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36895 11774SOL OW36893 7.080 5.979 3.419 -0.0280 -0.1404 -0.1285
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36896 11774SOL HW136894 7.097 6.032 3.501 -1.1877 0.5216 -0.2886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36897 11774SOL HW236895 7.028 5.897 3.442 -3.1053 1.5641 -0.4942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36898 11775SOL OW36896 6.563 6.290 3.526 0.0080 0.1372 -0.4350
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36899 11775SOL HW136897 6.613 6.253 3.448 0.3121 -0.1129 -0.1202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36900 11775SOL HW236898 6.624 6.348 3.581 -0.1182 0.0443 -0.1954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36901 11776SOL OW36899 6.537 5.776 2.923 0.0961 -0.1797 0.1955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36902 11776SOL HW136900 6.548 5.833 2.841 0.9378 0.6107 0.8433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36903 11776SOL HW236901 6.566 5.682 2.903 2.5326 0.5098 0.1828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36904 11777SOL OW36902 6.624 6.116 2.304 -0.0011 0.2565 0.0711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36905 11777SOL HW136903 6.635 6.158 2.395 -0.6648 -0.1746 0.3551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36906 11777SOL HW236904 6.527 6.103 2.285 0.1961 -1.4380 0.1129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36907 11778SOL OW36905 5.682 6.402 2.717 -0.4993 0.2576 -0.0291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36908 11778SOL HW136906 5.778 6.408 2.689 -0.3589 -0.2050 0.3423
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36909 11778SOL HW236907 5.642 6.493 2.718 -0.3380 0.3529 -1.1287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36910 11779SOL OW36908 5.773 0.023 3.563 0.6510 0.5813 0.1516
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36911 11779SOL HW136909 5.843 -0.027 3.614 -0.7700 -1.2906 0.3725
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36912 11779SOL HW236910 5.774 -0.006 3.468 -0.2356 0.0451 0.2967
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36913 11780SOL OW36911 6.556 5.966 1.928 -0.0229 0.0898 -0.1136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36914 11780SOL HW136912 6.561 6.055 1.883 0.6124 0.2455 0.2580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36915 11780SOL HW236913 6.476 5.917 1.894 -0.3840 0.8011 -0.3173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36916 11781SOL OW36914 7.154 6.114 3.640 0.7992 -0.1953 0.3974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36917 11781SOL HW136915 7.180 6.208 3.619 0.5976 -0.5168 -1.5052
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36918 11781SOL HW236916 7.198 6.085 3.725 0.9936 1.5448 0.9246
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36919 11782SOL OW36917 7.170 6.691 2.492 -0.4410 -0.0237 -0.5585
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36920 11782SOL HW136918 7.246 6.692 2.427 -0.4372 -1.0804 -0.5761
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36921 11782SOL HW236919 7.100 6.756 2.461 0.5245 1.1115 -0.4287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36922 11783SOL OW36920 6.157 5.519 2.726 -0.2850 -0.4411 0.4434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36923 11783SOL HW136921 6.137 5.594 2.789 -0.9808 -0.8202 0.6901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36924 11783SOL HW236922 6.243 5.536 2.680 -0.1339 0.2105 0.9532
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36925 11784SOL OW36923 6.738 6.880 2.187 -0.1553 -0.5392 -0.3036
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36926 11784SOL HW136924 6.657 6.871 2.128 -2.3325 -0.0730 2.3794
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36927 11784SOL HW236925 6.722 6.952 2.254 2.7579 -0.1160 0.0508
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36928 11785SOL OW36926 5.816 0.202 2.684 -0.1920 0.8604 -0.1615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36929 11785SOL HW136927 5.885 0.153 2.631 -0.7971 1.5342 -1.6310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36930 11785SOL HW236928 5.855 0.287 2.720 -0.1503 1.0644 -0.6839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36931 11786SOL OW36929 0.095 6.579 2.809 -0.1525 -0.4061 -0.2942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36932 11786SOL HW136930 0.000 6.607 2.791 -0.0184 -0.5517 -1.2648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36933 11786SOL HW236931 0.095 6.502 2.872 -0.6495 0.0251 0.2431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36934 11787SOL OW36932 6.512 6.944 3.199 -0.1872 0.1878 0.3815
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36935 11787SOL HW136933 6.556 6.990 3.276 0.1928 2.0590 -0.8767
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36936 11787SOL HW236934 6.484 7.012 3.131 0.3482 -1.4475 -1.5906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36937 11788SOL OW36935 5.952 6.506 2.011 -0.5950 0.5499 -0.0039
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36938 11788SOL HW136936 5.859 6.489 2.044 -0.9470 3.0805 0.4924
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36939 11788SOL HW236937 6.017 6.451 2.065 -1.7635 -1.7778 -0.8151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36940 11789SOL OW36938 7.184 6.222 2.887 -0.1868 0.4105 0.2665
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36941 11789SOL HW136939 7.085 6.220 2.873 -0.0935 -0.7201 -0.3707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36942 11789SOL HW236940 7.230 6.232 2.798 0.2652 1.6103 0.6192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36943 11790SOL OW36941 5.975 7.145 3.674 0.0461 0.0894 -0.1317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36944 11790SOL HW136942 5.985 7.061 3.621 0.1211 -0.1948 0.3291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36945 11790SOL HW236943 6.043 7.212 3.643 0.8953 -0.5025 0.4267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36946 11791SOL OW36944 5.623 5.722 3.337 -0.4663 -0.4216 -0.0189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36947 11791SOL HW136945 5.531 5.755 3.317 0.1439 0.6470 -1.1956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36948 11791SOL HW236946 5.663 5.778 3.410 0.6297 1.7243 -2.1253
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36949 11792SOL OW36947 6.882 5.596 2.334 0.8125 0.1590 0.1086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36950 11792SOL HW136948 6.901 5.571 2.239 0.1858 -0.1536 0.0619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36951 11792SOL HW236949 6.960 5.570 2.392 0.9788 -0.1258 -0.2402
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36952 11793SOL OW36950 5.622 6.214 2.292 -0.0001 -0.4043 -0.1311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36953 11793SOL HW136951 5.651 6.126 2.329 -0.2054 0.3188 1.9192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36954 11793SOL HW236952 5.574 6.265 2.364 3.7380 3.1173 0.2275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36955 11794SOL OW36953 6.976 5.747 3.515 -0.0259 -0.5386 -0.4515
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36956 11794SOL HW136954 6.897 5.803 3.542 1.6096 1.8619 -0.2700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36957 11794SOL HW236955 6.951 5.689 3.438 -2.0380 -0.1000 -0.1856
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36958 11795SOL OW36956 6.070 5.683 1.916 -0.1382 0.1831 0.1863
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36959 11795SOL HW136957 6.147 5.633 1.877 -1.2395 -0.4329 -1.3006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36960 11795SOL HW236958 5.998 5.691 1.848 -0.6555 2.4209 0.9124
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36961 11796SOL OW36959 6.278 5.737 3.526 0.1691 0.2067 0.0332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36962 11796SOL HW136960 6.357 5.734 3.587 0.5520 -1.2716 -0.5097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36963 11796SOL HW236961 6.208 5.673 3.559 -0.4597 0.8703 0.0208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36964 11797SOL OW36962 6.299 6.947 2.860 0.0426 -0.1108 -0.1102
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36965 11797SOL HW136963 6.294 6.940 2.760 1.4417 2.2770 -0.4202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36966 11797SOL HW236964 6.328 6.859 2.898 -1.4263 -1.3495 -1.6853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36967 11798SOL OW36965 6.864 5.970 3.243 -0.1493 0.2576 -0.2782
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36968 11798SOL HW136966 6.960 5.974 3.270 -0.6334 0.9180 1.4649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36969 11798SOL HW236967 6.812 6.040 3.293 -1.7719 -0.9734 -0.1711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36970 11799SOL OW36968 6.274 6.860 2.605 0.1035 -0.4034 0.0075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36971 11799SOL HW136969 6.368 6.841 2.575 -0.3532 0.9423 -2.5646
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36972 11799SOL HW236970 6.228 6.915 2.536 -2.3401 -0.2783 1.6262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36973 11800SOL OW36971 6.334 5.949 2.637 0.3869 -0.1345 0.2754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36974 11800SOL HW136972 6.355 5.891 2.558 0.1803 -0.6060 0.5637
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36975 11800SOL HW236973 6.240 5.932 2.667 0.4014 0.1816 0.5059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36976 11801SOL OW36974 6.213 5.665 2.332 0.2745 -0.4972 -0.6208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36977 11801SOL HW136975 6.144 5.671 2.403 1.1803 -0.4683 0.2808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36978 11801SOL HW236976 6.194 5.733 2.261 -0.6381 -0.5282 -0.4174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36979 11802SOL OW36977 7.102 6.636 2.041 -0.1550 0.1247 0.3561
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36980 11802SOL HW136978 7.161 6.564 2.076 -0.9110 -0.1139 1.1572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36981 11802SOL HW236979 7.008 6.620 2.069 -0.3464 1.4241 0.5577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36982 11803SOL OW36980 5.711 5.743 2.062 0.0536 0.4364 0.4778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36983 11803SOL HW136981 5.710 5.800 1.980 -3.3679 -2.5555 -1.8692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36984 11803SOL HW236982 5.776 5.668 2.050 -1.5674 -0.8991 -0.3169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36985 11804SOL OW36983 6.603 5.779 2.207 0.2131 0.1013 0.1687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36986 11804SOL HW136984 6.615 5.811 2.113 0.1220 0.2852 0.2199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36987 11804SOL HW236985 6.685 5.799 2.260 0.0460 0.5033 0.2739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36988 11805SOL OW36986 6.653 6.210 3.280 -0.1157 -0.3142 -0.4009
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36989 11805SOL HW136987 6.583 6.147 3.244 -1.2633 0.9265 -0.4298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36990 11805SOL HW236988 6.685 6.270 3.206 -0.2414 0.2195 -0.0284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36991 11806SOL OW36989 6.788 6.835 2.540 -0.3618 -0.1132 -0.0887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36992 11806SOL HW136990 6.757 6.915 2.489 -0.9802 -0.9052 -0.9852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36993 11806SOL HW236991 6.843 6.865 2.619 -1.3185 1.2235 0.1051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36994 11807SOL OW36992 6.101 6.802 2.292 0.0321 -0.0345 -0.6484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36995 11807SOL HW136993 6.027 6.779 2.356 0.2360 0.0024 -0.3981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36996 11807SOL HW236994 6.063 6.812 2.200 -0.3738 0.5821 -0.4214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36997 11808SOL OW36995 6.549 6.188 1.751 -0.5761 -0.1655 0.0820
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36998 11808SOL HW136996 6.580 6.204 1.657 1.0204 -2.0721 0.2121
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
36999 11808SOL HW236997 6.607 6.240 1.814 -0.1573 -0.6387 0.1012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37000 11809SOL OW36998 5.774 6.206 3.294 0.5465 0.1051 -0.0822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37001 11809SOL HW136999 5.818 6.118 3.278 2.5698 1.1510 -0.4653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37002 11809SOL HW237000 5.763 6.219 3.393 2.5642 0.4699 0.1365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37003 11810SOL OW37001 6.100 5.691 2.943 0.5974 0.0112 -0.6210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37004 11810SOL HW137002 6.145 5.700 3.032 -0.7107 -1.3693 0.2263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37005 11810SOL HW237003 6.019 5.634 2.953 -1.5166 2.5296 -2.0049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37006 11811SOL OW37004 6.496 5.792 2.463 -0.3357 -0.0204 -0.3993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37007 11811SOL HW137005 6.506 5.790 2.364 -1.4724 -1.9368 -0.5391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37008 11811SOL HW237006 6.585 5.805 2.506 0.7528 -2.6485 -1.6618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37009 11812SOL OW37007 6.391 5.544 2.583 -0.1982 -0.1779 -0.2588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37010 11812SOL HW137008 6.455 5.482 2.538 -0.6577 -0.3108 -0.7401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37011 11812SOL HW237009 6.389 5.631 2.533 -0.1160 -0.0391 -0.0231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37012 11813SOL OW37010 7.069 6.622 2.738 0.1923 -0.2882 -0.4458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37013 11813SOL HW137011 6.994 6.556 2.742 -0.4268 0.4115 -0.1710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37014 11813SOL HW237012 7.117 6.613 2.651 -0.2648 -0.6937 -0.6609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37015 11814SOL OW37013 6.868 6.168 2.848 -0.3768 0.4840 0.0858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37016 11814SOL HW137014 6.912 6.144 2.762 1.0429 2.4916 0.1809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37017 11814SOL HW237015 6.847 6.084 2.899 0.3037 -0.6714 -1.4501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37018 11815SOL OW37016 0.082 5.971 2.443 0.1155 -0.4233 0.3324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37019 11815SOL HW137017 0.072 6.023 2.528 -3.6535 0.7070 -0.5911
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37020 11815SOL HW237018 0.140 5.891 2.459 3.2162 2.0821 2.7196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37021 11816SOL OW37019 5.946 7.092 1.998 0.3160 0.2821 -0.4770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37022 11816SOL HW137020 5.856 7.057 1.974 0.1027 -1.2091 2.1288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37023 11816SOL HW237021 6.012 7.068 1.927 -0.6118 -2.0852 -0.6164
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37024 11817SOL OW37022 6.850 6.065 1.868 0.1100 0.0418 -0.0839
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37025 11817SOL HW137023 6.783 6.031 1.934 0.7862 0.5470 0.8764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37026 11817SOL HW237024 6.918 5.994 1.851 0.6277 0.3338 0.7143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37027 11818SOL OW37025 6.108 5.851 2.152 -0.0167 -0.4181 -0.1961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37028 11818SOL HW137026 6.088 5.797 2.070 2.1237 -0.6360 -0.6274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37029 11818SOL HW237027 6.030 5.911 2.171 -1.3502 -1.7169 -1.2541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37030 11819SOL OW37028 6.431 6.743 2.981 0.1712 0.4493 0.0395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37031 11819SOL HW137029 6.473 6.797 3.054 -0.9219 0.2393 0.8597
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37032 11819SOL HW237030 6.381 6.666 3.021 0.5930 -0.4190 -1.0262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37033 11820SOL OW37031 6.924 6.922 3.397 0.2851 -0.3531 -0.4895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37034 11820SOL HW137032 6.941 6.890 3.491 5.0846 -1.5204 -1.4556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37035 11820SOL HW237033 6.961 7.014 3.387 -2.2346 0.6826 -0.7903
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37036 11821SOL OW37034 6.631 6.827 2.825 -0.0391 -0.6299 -0.0024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37037 11821SOL HW137035 6.552 6.807 2.883 -1.1342 0.8306 -0.9455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37038 11821SOL HW237036 6.608 6.808 2.729 0.9653 -0.7786 -0.2277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37039 11822SOL OW37037 7.115 6.593 3.128 -0.1275 0.2616 -0.5708
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37040 11822SOL HW137038 7.067 6.516 3.171 1.3588 -0.6955 -0.5287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37041 11822SOL HW237039 7.074 6.613 3.039 -1.3072 0.2518 -0.0521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37042 11823SOL OW37040 6.555 5.355 3.155 -0.2709 0.3071 -0.1051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37043 11823SOL HW137041 6.509 5.316 3.076 -3.0448 -0.1427 1.6063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37044 11823SOL HW237042 6.560 5.455 3.144 -0.8657 0.2780 -0.7311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37045 11824SOL OW37043 6.353 6.430 3.883 -0.0322 0.5539 0.0484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37046 11824SOL HW137044 6.278 6.472 3.933 -0.4752 1.2302 -1.1546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37047 11824SOL HW237045 6.363 6.335 3.912 -1.3389 0.4614 0.2424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37048 11825SOL OW37046 6.112 6.356 2.148 -0.1795 0.0696 0.1195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37049 11825SOL HW137047 6.173 6.414 2.202 -0.7451 -0.0514 0.9180
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37050 11825SOL HW237048 6.164 6.305 2.081 0.6622 -0.3539 1.0729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37051 11826SOL OW37049 5.885 6.355 3.068 -0.3194 -0.4719 0.0107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37052 11826SOL HW137050 5.867 6.302 3.150 -0.5930 -0.2345 0.1069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37053 11826SOL HW237051 5.831 6.318 2.992 2.1518 -2.6058 -0.8485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37054 11827SOL OW37052 6.807 5.940 2.985 0.0294 0.0456 -0.0738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37055 11827SOL HW137053 6.849 5.952 3.075 1.5071 -0.2685 -0.6828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37056 11827SOL HW237054 6.713 5.907 2.995 1.4838 -4.3263 1.3858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37057 11828SOL OW37055 5.771 7.250 3.304 -0.1023 -1.1288 0.2783
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37058 11828SOL HW137056 5.721 7.273 3.221 0.4919 -1.6448 -0.2338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37059 11828SOL HW237057 5.840 7.180 3.284 0.5363 -0.7353 1.0523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37060 11829SOL OW37058 5.994 6.797 2.043 -0.4857 0.1339 -0.2018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37061 11829SOL HW137059 5.926 6.858 2.002 -0.2235 -0.0983 -0.9921
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37062 11829SOL HW237060 5.974 6.703 2.018 -1.7156 -0.3169 2.1501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37063 11830SOL OW37061 5.934 6.214 2.631 -0.0210 0.0166 0.2689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37064 11830SOL HW137062 5.929 6.229 2.532 -2.1323 -0.6493 0.2255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37065 11830SOL HW237063 6.030 6.212 2.659 0.6167 1.4452 -1.5483
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37066 11831SOL OW37064 7.020 6.976 2.411 -0.1665 0.4360 0.0943
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37067 11831SOL HW137065 7.007 6.998 2.314 -0.1653 0.9266 0.1999
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37068 11831SOL HW237066 6.932 6.950 2.451 0.2393 -2.4269 -0.6517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37069 11832SOL OW37067 6.826 6.636 3.037 0.2317 0.1310 0.3758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37070 11832SOL HW137068 6.787 6.696 3.107 0.7598 0.0522 0.7443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37071 11832SOL HW237069 6.807 6.674 2.946 -0.8892 -0.0242 0.5313
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37072 11833SOL OW37070 7.102 5.831 2.390 -0.1140 0.2238 -0.4238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37073 11833SOL HW137071 7.030 5.860 2.453 -0.4802 -1.4590 -0.0163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37074 11833SOL HW237072 7.189 5.872 2.417 -0.3177 -0.2452 1.0564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37075 11834SOL OW37073 5.957 7.066 3.227 0.5362 -0.4698 -0.4381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37076 11834SOL HW137074 5.911 7.000 3.168 1.0110 -0.6341 -0.6306
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37077 11834SOL HW237075 6.053 7.075 3.199 0.8563 -0.7945 0.4950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37078 11835SOL OW37076 6.128 6.345 3.582 0.3515 0.4283 -0.1165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37079 11835SOL HW137077 6.108 6.327 3.485 0.0382 -1.0887 0.2147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37080 11835SOL HW237078 6.224 6.326 3.601 0.4500 0.8769 -0.1582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37081 11836SOL OW37079 7.059 6.503 3.448 -0.2808 0.2383 -0.5481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37082 11836SOL HW137080 6.976 6.560 3.443 1.7892 3.4151 -3.1305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37083 11836SOL HW237081 7.062 6.444 3.368 0.5625 1.2161 -1.2671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37084 11837SOL OW37082 6.507 5.722 3.674 0.1589 0.1561 -0.7187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37085 11837SOL HW137083 6.547 5.780 3.746 -0.8773 -0.3458 0.3058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37086 11837SOL HW237084 6.546 5.631 3.680 -1.6151 -0.5802 0.8336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37087 11838SOL OW37085 6.117 5.619 3.692 0.2772 -0.6345 0.2291
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37088 11838SOL HW137086 6.034 5.574 3.658 0.1922 -1.0003 0.9093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37089 11838SOL HW237087 6.094 5.677 3.770 0.7903 -1.4321 0.9873
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37090 11839SOL OW37088 6.149 6.296 2.981 -0.0367 -0.4175 0.2607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37091 11839SOL HW137089 6.222 6.348 3.027 0.8587 -1.7536 0.4311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37092 11839SOL HW237090 6.062 6.312 3.028 0.4260 0.0661 0.9756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37093 11840SOL OW37091 6.872 6.430 2.756 0.0096 0.0610 0.3604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37094 11840SOL HW137092 6.818 6.455 2.675 -1.5995 1.7335 1.8433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37095 11840SOL HW237093 6.877 6.331 2.764 -0.3792 -0.1325 -1.4062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37096 11841SOL OW37094 6.834 6.076 2.157 -0.4555 -0.3288 -0.0928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37097 11841SOL HW137095 6.882 5.994 2.189 0.2659 -0.3497 -1.1709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37098 11841SOL HW237096 6.752 6.090 2.212 1.3251 0.3480 2.5792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37099 11842SOL OW37097 5.741 5.759 3.088 -0.0482 0.1200 -0.0942
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37100 11842SOL HW137098 5.697 5.728 3.172 -1.2505 -2.0321 -1.4167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37101 11842SOL HW237099 5.798 5.686 3.051 -0.7401 0.4276 -1.9043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37102 11843SOL OW37100 5.731 6.984 2.928 -0.0917 0.4282 0.7256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37103 11843SOL HW137101 5.758 7.078 2.905 -0.3434 0.9243 2.3526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37104 11843SOL HW237102 5.708 6.978 3.025 0.2844 -1.4158 0.7485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37105 11844SOL OW37103 6.197 6.198 2.715 0.3079 -0.1238 0.2358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37106 11844SOL HW137104 6.221 6.101 2.718 -3.3295 -1.1921 0.1584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37107 11844SOL HW237105 6.175 6.229 2.807 1.7701 0.7685 0.3057
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37108 11845SOL OW37106 5.997 5.701 2.522 0.1822 -0.0115 0.1061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37109 11845SOL HW137107 6.006 5.784 2.576 -2.2476 1.2280 -1.2181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37110 11845SOL HW237108 5.949 5.631 2.575 -0.3214 0.4574 0.2758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37111 11846SOL OW37109 7.181 5.817 2.124 0.0116 0.2112 -0.7380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37112 11846SOL HW137110 7.205 5.720 2.114 0.3277 0.3911 -1.8126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37113 11846SOL HW237111 7.161 5.836 2.220 3.1813 -0.2049 0.1151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37114 11847SOL OW37112 6.535 6.068 2.766 -0.3771 -0.1563 -0.2282
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37115 11847SOL HW137113 6.513 6.121 2.847 -1.5996 2.8987 -2.3772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37116 11847SOL HW237114 6.451 6.036 2.723 0.2414 -1.6845 -0.3640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37117 11848SOL OW37115 6.421 7.048 3.717 -0.3137 0.0014 -0.1234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37118 11848SOL HW137116 6.345 7.111 3.735 -1.5266 -0.4408 -3.0481
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37119 11848SOL HW237117 6.384 6.958 3.691 1.2791 -0.6672 -0.2055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37120 11849SOL OW37118 5.998 6.436 3.800 -0.2405 -0.0294 0.2624
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37121 11849SOL HW137119 6.054 6.471 3.876 -0.0618 0.5752 -0.1361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37122 11849SOL HW237120 6.055 6.383 3.738 -0.4221 -0.6688 0.6371
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37123 11850SOL OW37121 7.007 5.715 1.878 -0.3076 -0.5663 0.0376
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37124 11850SOL HW137122 6.947 5.654 1.930 -1.3990 -0.7491 -1.3648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37125 11850SOL HW237123 7.056 5.775 1.941 -0.7233 -1.5292 1.3243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37126 11851SOL OW37124 6.743 6.312 1.902 0.2893 0.3927 -0.3807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37127 11851SOL HW137125 6.781 6.220 1.912 -1.3936 -0.3818 -0.7950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37128 11851SOL HW237126 6.794 6.361 1.830 -0.1453 -0.9909 -1.6931
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37129 11852SOL OW37127 6.537 6.751 2.541 0.4561 -0.1025 -0.2487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37130 11852SOL HW137128 6.525 6.669 2.486 1.0186 0.6891 -1.6150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37131 11852SOL HW237129 6.634 6.775 2.544 0.1382 1.5097 -1.4293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37132 11853SOL OW37130 5.927 6.482 2.560 -0.4633 0.0601 0.2501
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37133 11853SOL HW137131 5.989 6.454 2.632 -0.6522 1.5289 1.0130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37134 11853SOL HW237132 5.932 6.416 2.484 3.0105 0.8229 -0.3216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37135 11854SOL OW37133 5.695 6.215 2.900 0.3756 -0.0375 -0.4797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37136 11854SOL HW137134 5.702 6.119 2.872 0.2027 0.1952 -1.3360
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37137 11854SOL HW237135 5.698 6.274 2.819 -2.9569 0.5303 -0.3132
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37138 11855SOL OW37136 6.626 5.748 3.327 -0.4543 -0.5027 0.2715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37139 11855SOL HW137137 6.617 5.807 3.407 -2.9893 1.7933 -1.5357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37140 11855SOL HW237138 6.721 5.718 3.319 0.8540 2.7154 1.7697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37141 11856SOL OW37139 6.472 5.630 3.146 -0.4290 -0.8081 0.3918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37142 11856SOL HW137140 6.528 5.662 3.223 0.2893 -2.5133 0.6247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37143 11856SOL HW237141 6.481 5.694 3.070 1.8650 -0.9877 0.4378
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37144 11857SOL OW37142 5.273 6.716 1.852 -0.1144 0.3768 -0.2555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37145 11857SOL HW137143 5.240 6.779 1.782 1.3864 1.5411 0.0449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37146 11857SOL HW237144 5.333 6.647 1.809 -0.8079 -0.1429 -0.4041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37147 11858SOL OW37145 6.040 0.111 2.509 -0.1278 -0.5046 0.1675
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37148 11858SOL HW137146 6.004 0.131 2.418 -1.1751 -0.4545 0.5769
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37149 11858SOL HW237147 6.135 0.141 2.515 -1.2324 3.4488 0.4201
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37150 11859SOL OW37148 6.454 6.183 3.014 0.0776 -0.0551 -0.2730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37151 11859SOL HW137149 6.434 6.111 3.081 -2.8914 -0.2569 -1.2222
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37152 11859SOL HW237150 6.505 6.256 3.059 0.3941 -1.3109 1.5434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37153 11860SOL OW37151 5.551 6.152 3.120 0.7530 -0.3230 0.1016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37154 11860SOL HW137152 5.612 6.139 3.042 1.8611 -0.1956 0.9134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37155 11860SOL HW237153 5.604 6.187 3.198 0.0174 -1.9919 1.4261
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37156 11861SOL OW37154 5.706 5.899 3.525 -0.5815 -0.1774 -0.1042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37157 11861SOL HW137155 5.801 5.927 3.512 -0.2077 -0.1200 2.2231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37158 11861SOL HW237156 5.647 5.980 3.526 -0.6704 -0.2078 -1.4793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37159 11862SOL OW37157 6.686 6.470 3.689 -0.4053 0.1322 0.5829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37160 11862SOL HW137158 6.643 6.523 3.762 0.0108 0.5544 0.5345
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37161 11862SOL HW237159 6.763 6.523 3.652 -0.6663 -0.0404 -0.2133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37162 11863SOL OW37160 6.363 6.031 2.151 0.0247 -0.0851 -0.0206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37163 11863SOL HW137161 6.424 6.016 2.074 0.8857 -0.7844 0.7742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37164 11863SOL HW237162 6.288 5.965 2.148 -1.8707 1.9880 -2.0790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37165 11864SOL OW37163 5.487 6.825 3.474 -0.0475 0.0515 0.9165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37166 11864SOL HW137164 5.569 6.878 3.496 -0.0461 -0.0941 1.2699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37167 11864SOL HW237165 5.447 6.789 3.558 -0.9607 0.8356 0.8289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37168 11865SOL OW37166 6.083 5.896 2.731 -0.0142 -0.2336 -0.1200
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37169 11865SOL HW137167 6.099 5.852 2.820 3.4659 0.0404 -0.4700
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37170 11865SOL HW237168 5.988 5.928 2.726 -0.3259 -0.2121 3.4885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37171 11866SOL OW37169 5.846 5.961 2.166 -0.5800 -0.2420 -0.4886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37172 11866SOL HW137170 5.863 6.045 2.115 -1.1054 0.5066 0.5364
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37173 11866SOL HW237171 5.782 5.903 2.114 -0.0602 -0.1134 -1.2881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37174 11867SOL OW37172 5.953 6.718 3.381 -0.2585 0.2200 -0.4936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37175 11867SOL HW137173 5.943 6.675 3.471 0.3809 0.4161 -0.3247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37176 11867SOL HW237174 5.882 6.684 3.319 0.5887 -1.5745 -0.5440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37177 11868SOL OW37175 6.797 6.354 3.050 -0.3493 -0.3345 0.0593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37178 11868SOL HW137176 6.820 6.294 2.974 -4.6733 -0.8221 -1.1122
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37179 11868SOL HW237177 6.819 6.449 3.025 -0.7837 -0.5936 -1.3721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37180 11869SOL OW37178 6.981 6.313 2.207 0.5694 -0.0371 -0.2109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37181 11869SOL HW137179 6.931 6.232 2.175 0.2159 -0.0444 0.3506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37182 11869SOL HW237180 6.924 6.394 2.193 0.7748 0.0709 -0.4264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37183 11870SOL OW37181 0.147 0.018 2.832 -0.2820 -0.1456 -0.4781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37184 11870SOL HW137182 0.226 -0.038 2.809 -1.2177 -1.2474 -1.1478
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37185 11870SOL HW237183 0.113 -0.008 2.923 -1.5245 -1.6765 -1.3415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37186 11871SOL OW37184 6.706 7.067 2.886 0.1678 -0.3271 0.5138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37187 11871SOL HW137185 6.805 7.082 2.893 0.0263 0.9775 0.0514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37188 11871SOL HW237186 6.688 6.971 2.866 1.4073 -0.3802 -0.4382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37189 11872SOL OW37187 5.793 6.732 2.903 -0.2866 -0.3601 -0.4104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37190 11872SOL HW137188 5.785 6.831 2.909 0.2699 -0.3924 1.8506
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37191 11872SOL HW237189 5.714 6.695 2.854 0.0653 1.2399 -2.3130
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37192 11873SOL OW37190 6.888 0.054 2.455 0.1596 -0.0867 0.1728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37193 11873SOL HW137191 6.908 0.053 2.357 -0.1165 -1.2382 0.1207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37194 11873SOL HW237192 6.897 0.148 2.489 2.4198 -0.0090 -0.4858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37195 11874SOL OW37193 5.533 7.162 3.607 0.1611 0.7014 -0.3970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37196 11874SOL HW137194 5.612 7.220 3.588 0.6331 -0.0881 -0.8793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37197 11874SOL HW237195 5.564 7.072 3.637 -0.5613 0.8403 0.8742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37198 11875SOL OW37196 6.750 6.448 2.522 0.2073 0.0094 0.6788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37199 11875SOL HW137197 6.816 6.443 2.447 -1.2723 1.2451 -0.8001
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37200 11875SOL HW237198 6.663 6.483 2.487 -1.1200 -1.1536 2.6293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37201 11876SOL OW37199 6.175 6.687 3.251 1.0297 -0.3119 0.5792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37202 11876SOL HW137200 6.244 6.731 3.308 0.3924 1.8219 -0.1946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37203 11876SOL HW237201 6.086 6.691 3.296 0.6512 0.7821 -0.2150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37204 11877SOL OW37202 6.320 7.062 2.061 0.0260 0.2428 -1.0335
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37205 11877SOL HW137203 6.253 7.063 1.986 0.5827 0.5240 -1.5312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37206 11877SOL HW237204 6.291 7.127 2.132 1.1613 2.4615 -2.4952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37207 11878SOL OW37205 5.831 5.975 2.667 -0.6718 -0.0279 0.1871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37208 11878SOL HW137206 5.862 6.068 2.648 -1.9888 0.1708 -1.2742
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37209 11878SOL HW237207 5.767 5.975 2.743 -1.4886 0.4467 -0.4888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37210 11879SOL OW37208 6.974 7.003 2.137 -0.4801 -0.2184 -0.6554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37211 11879SOL HW137209 6.895 6.944 2.125 -1.9233 1.1276 1.4607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37212 11879SOL HW237210 7.051 6.967 2.084 -1.4697 -3.5026 -0.1042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37213 11880SOL OW37211 6.274 6.460 3.137 0.1019 -0.3153 -0.2968
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37214 11880SOL HW137212 6.363 6.464 3.181 0.6314 -0.0662 -1.3788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37215 11880SOL HW237213 6.216 6.534 3.172 0.2774 -0.5249 0.4600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37216 11881SOL OW37214 6.353 6.280 2.010 0.3470 -0.0276 -0.3284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37217 11881SOL HW137215 6.414 6.359 2.023 -1.6073 1.9189 -2.3275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37218 11881SOL HW237216 6.377 6.210 2.078 2.4702 2.0329 1.2619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37219 11882SOL OW37217 5.992 6.974 3.477 -0.0790 -0.0293 0.1086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37220 11882SOL HW137218 5.993 7.023 3.390 -0.9150 -1.1875 -0.5722
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37221 11882SOL HW237219 5.993 6.875 3.461 0.6267 -0.2713 1.4342
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37222 11883SOL OW37220 6.499 6.503 2.425 0.1406 -0.5993 0.3292
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37223 11883SOL HW137221 6.414 6.492 2.477 0.7439 2.2538 2.0864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37224 11883SOL HW237222 6.480 6.484 2.328 -2.0093 -1.8897 0.9207
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37225 11884SOL OW37223 6.542 5.537 2.833 0.5217 -0.1006 0.3923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37226 11884SOL HW137224 6.493 5.513 2.750 -1.2368 -1.1348 1.6558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37227 11884SOL HW237225 6.627 5.483 2.839 -0.1821 -1.2740 0.0613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37228 11885SOL OW37226 6.232 7.241 2.276 0.2427 -0.2673 -0.3986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37229 11885SOL HW137227 6.164 7.306 2.240 -0.8480 -0.6232 0.9389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37230 11885SOL HW237228 6.286 7.286 2.347 1.5628 0.0454 -1.5549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37231 11886SOL OW37229 5.652 6.898 2.126 0.7094 -0.3385 0.4698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37232 11886SOL HW137230 5.596 6.819 2.153 0.5326 0.3565 2.3105
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37233 11886SOL HW237231 5.669 6.955 2.206 1.0238 1.3933 -0.7807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37234 11887SOL OW37232 5.868 6.599 3.630 0.3896 0.4245 -0.2161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37235 11887SOL HW137233 5.774 6.566 3.616 0.2830 0.7494 -0.2621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37236 11887SOL HW237234 5.913 6.541 3.698 0.1873 0.2069 -0.2661
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37237 11888SOL OW37235 6.211 5.652 3.252 0.2222 -0.0380 0.5912
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37238 11888SOL HW137236 6.290 5.613 3.205 -0.5205 1.2425 -1.9232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37239 11888SOL HW237237 6.240 5.696 3.337 1.6052 -2.6494 1.5919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37240 11889SOL OW37238 5.461 6.011 1.786 -0.9682 0.3759 -0.1361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37241 11889SOL HW137239 5.419 6.077 1.724 -1.5415 0.6665 0.5441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37242 11889SOL HW237240 5.426 5.920 1.765 0.6190 0.1043 -1.7666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37243 11890SOL OW37241 7.054 6.352 3.226 0.4443 -0.3080 -0.0456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37244 11890SOL HW137242 6.972 6.349 3.169 0.2339 0.2473 0.2210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37245 11890SOL HW237243 7.118 6.282 3.196 0.0617 -0.4466 -0.5479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37246 11891SOL OW37244 5.459 5.893 2.085 0.2666 0.5149 0.1093
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37247 11891SOL HW137245 5.477 5.986 2.053 1.9986 0.3935 0.6273
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37248 11891SOL HW237246 5.516 5.828 2.034 0.5983 -0.0279 1.1366
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37249 11892SOL OW37247 6.855 6.582 2.144 -0.5278 -0.6525 0.9570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37250 11892SOL HW137248 6.769 6.577 2.095 -0.2959 1.1419 0.3106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37251 11892SOL HW237249 6.851 6.654 2.213 -0.3090 -2.0922 2.5674
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37252 11893SOL OW37250 6.076 6.299 3.320 -0.1372 0.0118 0.0232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37253 11893SOL HW137251 6.139 6.349 3.261 0.1105 0.2055 0.4497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37254 11893SOL HW237252 6.049 6.214 3.275 2.0375 -1.0977 0.6838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37255 11894SOL OW37253 6.958 7.151 2.996 -0.3878 -0.6800 0.5465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37256 11894SOL HW137254 7.021 7.196 2.932 -1.3507 -1.2521 -0.8510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37257 11894SOL HW237255 6.996 7.064 3.025 -0.8973 -1.4706 -1.0363
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37258 11895SOL OW37256 6.286 5.990 3.419 -0.2372 -0.2855 0.0331
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37259 11895SOL HW137257 6.304 6.049 3.498 2.7073 -0.5165 -0.3580
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37260 11895SOL HW237258 6.262 5.899 3.451 0.3193 -0.2183 0.6601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37261 11896SOL OW37259 6.839 6.642 3.442 0.6990 -0.3438 0.4191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37262 11896SOL HW137260 6.790 6.700 3.508 3.4194 1.2898 1.1978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37263 11896SOL HW237261 6.828 6.680 3.350 0.5852 0.0545 0.5935
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37264 11897SOL OW37262 0.087 6.471 3.088 -0.1941 -0.1367 0.7244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37265 11897SOL HW137263 0.052 6.377 3.088 -0.9161 0.0905 -0.8602
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37266 11897SOL HW237264 0.013 6.534 3.109 -0.6691 0.2977 -1.9327
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37267 11898SOL OW37265 6.829 5.841 2.367 0.1672 -0.0348 0.3209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37268 11898SOL HW137266 6.860 5.749 2.342 -0.6055 -0.2000 -0.0726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37269 11898SOL HW237267 6.788 5.839 2.458 0.3495 -0.0337 0.4035
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37270 11899SOL OW37268 5.913 6.308 2.356 -0.2765 0.3949 0.0160
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37271 11899SOL HW137269 5.988 6.318 2.290 0.6385 0.1921 0.9830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37272 11899SOL HW237270 5.827 6.294 2.308 0.4391 -0.2390 -1.1214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37273 11900SOL OW37271 7.230 6.808 3.295 -0.2652 -0.0361 -0.1020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37274 11900SOL HW137272 7.314 6.757 3.274 0.2090 0.6799 0.0404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37275 11900SOL HW237273 7.154 6.744 3.305 0.7139 -0.9406 2.1390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37276 11901SOL OW37274 6.597 7.109 2.010 -0.0158 0.1890 -0.2332
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37277 11901SOL HW137275 6.498 7.110 2.023 0.0486 -0.9412 0.5016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37278 11901SOL HW237276 6.622 7.031 1.952 0.5757 -0.5908 1.0247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37279 11902SOL OW37277 6.255 6.446 2.578 -0.7404 -0.3736 -0.5149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37280 11902SOL HW137278 6.241 6.363 2.632 -1.5055 0.2105 0.2046
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37281 11902SOL HW237279 6.255 6.525 2.638 1.3484 0.0665 -1.0298
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37282 11903SOL OW37280 6.578 6.483 2.036 -0.2597 -0.4980 -0.4777
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37283 11903SOL HW137281 6.533 6.550 1.977 -0.4852 1.0309 1.3410
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37284 11903SOL HW237282 6.638 6.424 1.981 2.0155 2.8600 -1.9058
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37285 11904SOL OW37283 0.148 6.898 2.741 0.3419 0.1258 -0.8090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37286 11904SOL HW137284 0.080 6.912 2.669 1.4052 1.7952 -1.5398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37287 11904SOL HW237285 0.101 6.876 2.826 -0.9651 -1.4191 -1.8669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37288 11905SOL OW37286 5.711 6.938 3.652 -0.0944 0.4661 -0.0475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37289 11905SOL HW137287 5.806 6.933 3.620 0.4343 1.4561 1.2215
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37290 11905SOL HW237288 5.707 6.909 3.748 -1.5277 -1.9258 -0.7555
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37291 11906SOL OW37289 5.689 6.892 2.423 0.6118 -0.0364 0.1587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37292 11906SOL HW137290 5.764 6.829 2.446 0.1912 -0.5203 0.2156
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37293 11906SOL HW237291 5.727 6.982 2.402 1.4649 -0.8621 -2.2155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37294 11907SOL OW37292 6.379 6.761 3.418 0.0690 -0.2666 -0.0697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37295 11907SOL HW137293 6.362 6.753 3.516 -1.8384 1.2423 -0.2149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37296 11907SOL HW237294 6.446 6.834 3.402 0.4762 -0.5983 0.0987
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37297 11908SOL OW37295 0.028 5.905 3.260 -0.3149 0.2840 0.1073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37298 11908SOL HW137296 -0.039 5.949 3.318 -0.3847 0.7731 -0.3487
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37299 11908SOL HW237297 0.107 5.965 3.247 0.2359 -0.2996 0.6726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37300 11909SOL OW37298 5.702 5.983 2.411 -0.1882 0.3162 0.0448
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37301 11909SOL HW137299 5.754 5.941 2.337 -1.3938 -0.8195 -0.1980
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37302 11909SOL HW237300 5.759 5.988 2.493 0.8095 0.5884 -0.6447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37303 11910SOL OW37301 5.873 5.972 3.234 0.0597 -0.1810 -0.2799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37304 11910SOL HW137302 5.961 5.991 3.191 -0.2360 3.5380 0.3969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37305 11910SOL HW237303 5.831 5.892 3.191 2.3058 -0.1245 -2.8286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37306 11911SOL OW37304 6.452 7.130 2.531 0.0908 -0.3975 -0.0772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37307 11911SOL HW137305 6.423 7.215 2.575 1.0067 -0.1062 -0.0289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37308 11911SOL HW237306 6.375 7.092 2.479 -0.1539 0.7635 -0.5882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37309 11912SOL OW37307 6.899 5.754 2.815 -0.5200 -0.8801 0.0730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37310 11912SOL HW137308 6.917 5.671 2.868 -0.1977 -0.0085 1.3900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37311 11912SOL HW237309 6.860 5.824 2.875 0.1517 0.2579 -0.7715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37312 11913SOL OW37310 6.781 5.365 2.888 0.0116 -0.0520 -0.2540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37313 11913SOL HW137311 6.717 5.296 2.854 -0.1940 -1.4740 2.7111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37314 11913SOL HW237312 6.841 5.324 2.957 0.2123 2.6265 1.3017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37315 11914SOL OW37313 6.316 6.786 2.004 -0.2850 -0.1648 -0.2938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37316 11914SOL HW137314 6.227 6.785 2.049 -0.2288 1.3942 -0.0905
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37317 11914SOL HW237315 6.362 6.873 2.023 1.5531 -1.1894 0.1262
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37318 11915SOL OW37316 6.212 7.027 3.118 -0.8565 -0.1498 -0.2008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37319 11915SOL HW137317 6.295 7.017 3.172 -0.9203 1.4595 0.2394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37320 11915SOL HW237318 6.227 6.990 3.026 0.0160 -0.7381 0.1664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37321 11916SOL OW37319 6.830 5.555 2.065 -0.3788 0.1699 -0.6163
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37322 11916SOL HW137320 6.835 5.459 2.092 -0.2867 0.9354 2.4741
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37323 11916SOL HW237321 6.737 5.576 2.035 -0.4574 -0.8252 -1.0952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37324 11917SOL OW37322 6.995 6.108 2.587 0.7519 0.0258 0.7330
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37325 11917SOL HW137323 6.908 6.119 2.540 0.2664 1.1492 1.8260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37326 11917SOL HW237324 7.067 6.154 2.536 0.2793 1.0216 0.9329
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37327 11918SOL OW37325 7.101 5.898 2.687 0.4036 0.2171 -0.2989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37328 11918SOL HW137326 7.032 5.850 2.741 0.6944 -1.0079 -0.9882
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37329 11918SOL HW237327 7.060 5.980 2.647 0.2082 1.2466 1.8307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37330 11919SOL OW37328 5.540 6.654 2.173 0.5443 0.6611 -0.4982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37331 11919SOL HW137329 5.612 6.588 2.151 -0.3487 -0.7359 0.6118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37332 11919SOL HW237330 5.453 6.606 2.183 -0.4460 2.2279 -1.1519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37333 11920SOL OW37331 5.793 6.122 3.836 0.7931 0.0892 -0.0303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37334 11920SOL HW137332 5.729 6.171 3.895 0.5583 0.4778 -0.5993
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37335 11920SOL HW237333 5.772 6.142 3.740 0.4534 -1.4111 -0.2988
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37336 11921SOL OW37334 5.753 5.735 4.500 -0.0382 0.2292 0.2395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37337 11921SOL HW137335 5.825 5.739 4.570 -0.0140 0.7133 0.1888
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37338 11921SOL HW237336 5.666 5.714 4.543 0.3187 -1.5709 0.1682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37339 11922SOL OW37337 5.372 6.012 4.264 0.0756 0.1137 0.4666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37340 11922SOL HW137338 5.308 5.978 4.334 1.4744 1.3903 2.4914
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37341 11922SOL HW237339 5.416 5.934 4.219 -0.3437 -0.7707 1.5225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37342 11923SOL OW37340 5.760 7.022 4.880 0.0281 -0.0290 0.3510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37343 11923SOL HW137341 5.745 6.964 4.960 -4.0010 1.4964 0.9081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37344 11923SOL HW237342 5.766 6.965 4.799 0.4874 -1.4160 1.3129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37345 11924SOL OW37343 6.925 6.776 4.163 -0.1544 -0.4490 -0.1361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37346 11924SOL HW137344 6.951 6.767 4.259 0.3753 -1.3359 -0.3575
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37347 11924SOL HW237345 6.989 6.838 4.117 -0.4284 0.0024 0.0845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37348 11925SOL OW37346 6.718 6.131 4.416 -0.5081 -0.0980 0.1213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37349 11925SOL HW137347 6.696 6.225 4.389 0.8414 -0.4372 -2.4435
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37350 11925SOL HW237348 6.636 6.074 4.406 -0.8631 0.4489 -0.1606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37351 11926SOL OW37349 0.004 6.066 3.934 -0.0615 0.4690 0.9134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37352 11926SOL HW137350 0.051 5.989 3.977 -1.0065 0.5646 2.1499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37353 11926SOL HW237351 0.072 6.128 3.894 0.7818 -0.1298 1.3976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37354 11927SOL OW37352 5.796 6.806 4.711 0.6371 0.7845 -0.4576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37355 11927SOL HW137353 5.702 6.773 4.714 0.1256 2.2629 0.7472
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37356 11927SOL HW237354 5.838 6.781 4.623 -0.7757 -0.1153 -0.8978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37357 11928SOL OW37355 6.572 6.327 5.298 0.2790 0.4281 -0.0667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37358 11928SOL HW137356 6.669 6.351 5.300 0.5224 -0.4283 -0.8142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37359 11928SOL HW237357 6.518 6.401 5.339 1.2275 0.9834 0.2050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37360 11929SOL OW37358 6.197 6.473 4.434 -0.2755 -0.7555 0.1232
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37361 11929SOL HW137359 6.269 6.488 4.501 1.5219 2.0273 -2.1880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37362 11929SOL HW237360 6.111 6.511 4.469 0.1741 -0.9986 1.5488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37363 11930SOL OW37361 6.221 6.692 5.560 -0.2945 0.0474 0.0843
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37364 11930SOL HW137362 6.257 6.782 5.585 0.5338 -0.1330 -0.4374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37365 11930SOL HW237363 6.147 6.704 5.493 -0.4521 0.3619 0.3151
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37366 11931SOL OW37364 5.827 7.058 4.333 -0.3500 -0.0646 -0.0213
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37367 11931SOL HW137365 5.737 7.036 4.371 -1.1477 0.3873 -1.5822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37368 11931SOL HW237366 5.875 6.973 4.310 -0.6854 -0.2961 0.1231
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37369 11932SOL OW37367 6.961 6.954 5.228 0.0924 0.1879 0.3072
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37370 11932SOL HW137368 6.882 6.986 5.280 -0.0966 -1.0718 0.8264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37371 11932SOL HW237369 6.930 6.921 5.139 -0.0309 -0.7224 0.6852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37372 11933SOL OW37370 5.950 5.656 5.180 0.8024 0.1001 -0.6577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37373 11933SOL HW137371 6.012 5.733 5.198 0.8912 -0.0725 -0.2038
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37374 11933SOL HW237372 5.956 5.591 5.255 -0.9025 0.7158 0.0744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37375 11934SOL OW37373 6.566 6.641 5.217 -0.3478 -0.3966 0.0938
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37376 11934SOL HW137374 6.663 6.621 5.209 -0.2003 -0.0126 0.8344
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37377 11934SOL HW237375 6.513 6.565 5.179 0.2387 -0.4906 -0.5480
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37378 11935SOL OW37376 5.581 6.950 4.076 -0.2904 0.4346 -0.2427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37379 11935SOL HW137377 5.608 7.046 4.088 0.4058 0.0660 1.5189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37380 11935SOL HW237378 5.580 6.904 4.165 -0.3366 -1.2703 -1.0724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37381 11936SOL OW37379 5.712 6.500 4.605 -0.0793 0.2275 -0.2014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37382 11936SOL HW137380 5.746 6.414 4.641 -1.4048 0.0629 0.7594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37383 11936SOL HW237381 5.660 6.547 4.676 -0.3716 1.2642 -1.0693
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37384 11937SOL OW37382 6.090 6.588 4.013 -0.1535 -0.3680 0.2086
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37385 11937SOL HW137383 6.170 6.633 4.052 -0.2095 0.5378 -0.6790
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37386 11937SOL HW237384 6.024 6.568 4.085 0.3012 0.0749 0.7565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37387 11938SOL OW37385 7.045 5.645 5.197 0.4288 0.0812 0.2908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37388 11938SOL HW137386 7.038 5.729 5.144 0.3480 -0.0919 0.0251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37389 11938SOL HW237387 6.972 5.582 5.169 2.3843 -1.3862 -1.8715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37390 11939SOL OW37388 5.567 6.217 4.273 -0.2428 0.1040 -0.4128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37391 11939SOL HW137389 5.505 6.140 4.285 0.2586 -0.1223 0.9842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37392 11939SOL HW237390 5.545 6.289 4.340 0.7540 0.1564 -0.1167
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37393 11940SOL OW37391 5.258 0.139 3.894 -0.3663 -0.0835 -0.3193
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37394 11940SOL HW137392 5.193 0.067 3.870 0.3469 -0.7127 -0.3813
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37395 11940SOL HW237393 5.350 0.100 3.901 0.0525 0.8508 -0.5166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37396 11941SOL OW37394 7.235 6.666 4.052 0.6702 -0.4522 -0.3961
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37397 11941SOL HW137395 7.160 6.619 4.004 0.7426 -0.5410 -0.4235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37398 11941SOL HW237396 7.236 6.762 4.026 -0.2944 -0.1369 0.6564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37399 11942SOL OW37397 5.697 6.134 5.288 -0.0811 -0.1567 -0.0603
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37400 11942SOL HW137398 5.682 6.223 5.330 -0.9506 0.5283 -1.7065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37401 11942SOL HW237399 5.709 6.146 5.189 -0.6389 -1.8940 -0.3749
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37402 11943SOL OW37400 6.152 6.783 4.466 0.8469 -0.4530 -0.6710
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37403 11943SOL HW137401 6.084 6.714 4.492 0.2541 0.3424 -0.0531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37404 11943SOL HW237402 6.241 6.739 4.453 0.7357 -1.1873 0.8025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37405 11944SOL OW37403 6.906 6.821 4.984 -0.1797 0.1199 0.1754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37406 11944SOL HW137404 7.001 6.791 4.977 -0.4163 -0.9743 1.2510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37407 11944SOL HW237405 6.857 6.798 4.901 0.9473 2.5468 -1.2653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37408 11945SOL OW37406 6.259 5.517 4.264 -0.2443 -0.2069 0.4125
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37409 11945SOL HW137407 6.353 5.544 4.242 -0.9069 0.4679 -1.8340
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37410 11945SOL HW237408 6.196 5.582 4.223 -1.7295 -0.7693 1.7229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37411 11946SOL OW37409 5.492 6.372 4.985 0.5897 -0.1793 0.1153
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37412 11946SOL HW137410 5.575 6.319 5.004 1.9364 2.1372 1.0503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37413 11946SOL HW237411 5.513 6.443 4.918 -1.0066 -0.3665 -0.6196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37414 11947SOL OW37412 7.056 6.555 3.879 -0.5529 0.1815 -0.3901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37415 11947SOL HW137413 7.022 6.647 3.857 -2.3211 -0.2701 0.3152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37416 11947SOL HW237414 6.979 6.491 3.886 0.3270 -0.7567 2.0007
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37417 11948SOL OW37415 5.856 5.817 5.529 0.5628 -0.1841 -0.2290
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37418 11948SOL HW137416 5.786 5.798 5.461 -0.3523 -0.2938 0.7101
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37419 11948SOL HW237417 5.883 5.731 5.574 0.0971 0.0691 0.5441
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37420 11949SOL OW37418 7.096 6.828 4.368 0.1990 0.1985 -0.2983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37421 11949SOL HW137419 7.193 6.804 4.359 0.3924 1.1024 -0.7239
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37422 11949SOL HW237420 7.063 6.801 4.458 0.7680 -0.3743 -0.2528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37423 11950SOL OW37421 6.982 7.083 4.312 0.3410 -0.1940 -0.2474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37424 11950SOL HW137422 6.989 7.144 4.391 -1.0504 0.2967 -0.4704
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37425 11950SOL HW237423 7.045 7.006 4.323 0.7279 0.2746 0.9592
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37426 11951SOL OW37424 6.169 6.129 4.302 0.0788 0.3168 0.1940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37427 11951SOL HW137425 6.071 6.128 4.280 0.1818 0.6590 -0.2978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37428 11951SOL HW237426 6.204 6.222 4.295 0.5105 0.1475 0.0618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37429 11952SOL OW37427 7.079 5.870 4.603 0.0016 0.2619 0.5791
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37430 11952SOL HW137428 7.087 5.771 4.604 0.5764 0.2998 0.2656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37431 11952SOL HW237429 7.143 5.909 4.669 2.3303 0.5569 -1.6634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37432 11953SOL OW37430 7.132 0.182 4.077 0.3399 -0.0341 0.3929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37433 11953SOL HW137431 7.113 0.222 4.167 0.6243 -0.5848 0.7041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37434 11953SOL HW237432 7.229 0.195 4.055 -0.2512 2.6571 -1.1362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37435 11954SOL OW37433 6.339 6.063 4.998 0.5004 -0.4579 0.1074
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37436 11954SOL HW137434 6.335 5.993 5.069 -0.4261 -0.7320 -0.1950
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37437 11954SOL HW237435 6.354 6.019 4.909 -0.1649 -0.2956 -0.0944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37438 11955SOL OW37436 6.955 6.074 5.368 -0.4878 0.5158 -0.6062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37439 11955SOL HW137437 6.986 5.979 5.377 -1.1754 0.3203 -0.1910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37440 11955SOL HW237438 6.858 6.079 5.389 -0.2632 1.4605 0.3012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37441 11956SOL OW37439 6.321 6.497 5.164 0.2757 -0.0731 -0.1845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37442 11956SOL HW137440 6.374 6.431 5.111 2.2095 2.0787 -1.0981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37443 11956SOL HW237441 6.233 6.512 5.121 0.3365 -1.1045 -0.6829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37444 11957SOL OW37442 6.659 5.868 4.689 0.4915 -0.4344 -0.3177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37445 11957SOL HW137443 6.578 5.844 4.742 1.2359 -1.4370 0.4013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37446 11957SOL HW237444 6.680 5.793 4.626 1.0308 -0.3165 -0.2788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37447 11958SOL OW37445 6.550 6.078 4.052 0.0452 -0.6613 -0.0836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37448 11958SOL HW137446 6.542 6.015 4.129 -1.5136 -1.3136 -0.7406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37449 11958SOL HW237447 6.460 6.112 4.027 0.5812 -0.0906 -1.3256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37450 11959SOL OW37448 5.468 6.407 4.464 0.1441 0.0004 0.1497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37451 11959SOL HW137449 5.553 6.452 4.490 1.5366 -0.8687 -2.4982
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37452 11959SOL HW237450 5.420 6.376 4.546 1.4162 2.1385 1.8083
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37453 11960SOL OW37451 5.448 0.224 5.292 0.0955 0.5561 -0.3361
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37454 11960SOL HW137452 5.368 0.168 5.272 0.2847 0.1271 0.0823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37455 11960SOL HW237453 5.444 0.255 5.387 -0.8084 2.5962 -0.9945
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37456 11961SOL OW37454 6.351 5.804 3.972 0.1322 -0.2401 0.0919
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37457 11961SOL HW137455 6.428 5.840 3.920 0.4302 -0.4275 0.4010
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37458 11961SOL HW237456 6.266 5.821 3.922 0.2683 0.8308 0.1946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37459 11962SOL OW37457 0.040 6.086 5.088 0.2626 -0.2224 -0.5559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37460 11962SOL HW137458 0.122 6.132 5.054 -0.5477 1.5132 -0.2851
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37461 11962SOL HW237459 0.051 6.064 5.185 0.9785 -1.4444 -0.8821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37462 11963SOL OW37460 0.094 6.756 4.310 -1.0267 -0.8785 0.5012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37463 11963SOL HW137461 0.052 6.691 4.246 -2.8458 -0.9024 1.6405
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37464 11963SOL HW237462 0.167 6.806 4.263 -1.4828 -1.7272 -1.2289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37465 11964SOL OW37463 5.974 5.722 4.728 0.8142 0.2728 0.2173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37466 11964SOL HW137464 6.040 5.681 4.791 1.3492 -0.8810 -1.0459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37467 11964SOL HW237465 6.012 5.806 4.689 1.1222 0.1659 0.2849
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37468 11965SOL OW37466 6.374 6.967 4.224 -0.4537 0.5385 0.2528
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37469 11965SOL HW137467 6.419 6.931 4.306 -0.0633 0.0879 -0.1553
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37470 11965SOL HW237468 6.365 7.066 4.233 1.2540 0.7513 0.0739
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37471 11966SOL OW37469 5.935 7.151 4.563 0.3138 0.0828 -0.1370
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37472 11966SOL HW137470 5.906 7.123 4.471 1.5214 -0.8371 -0.2620
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37473 11966SOL HW237471 6.008 7.220 4.554 1.7094 -1.3168 0.0729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37474 11967SOL OW37472 0.136 6.633 4.541 0.1551 0.4535 -0.1188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37475 11967SOL HW137473 0.131 6.681 4.453 -1.7091 -1.5635 -1.2097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37476 11967SOL HW237474 0.044 6.612 4.573 0.8583 -0.8106 1.2135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37477 11968SOL OW37475 6.728 7.029 5.349 0.0122 -0.3749 -0.3558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37478 11968SOL HW137476 6.665 6.958 5.379 2.5172 -2.3068 0.6128
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37479 11968SOL HW237477 6.757 7.083 5.428 -0.9903 1.0548 -0.9196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37480 11969SOL OW37478 5.780 6.484 3.994 -0.0061 0.2056 -0.3559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37481 11969SOL HW137479 5.866 6.485 3.944 -0.0410 0.2886 -0.4142
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37482 11969SOL HW237480 5.744 6.391 3.996 0.1734 0.1393 -0.1775
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37483 11970SOL OW37481 7.077 6.247 4.462 0.2534 0.1078 -0.6111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37484 11970SOL HW137482 7.045 6.201 4.545 0.4913 -1.1532 -1.1985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37485 11970SOL HW237483 7.172 6.277 4.474 0.1080 0.4284 -0.2403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37486 11971SOL OW37484 6.072 6.746 5.335 0.8741 -0.4329 -0.3621
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37487 11971SOL HW137485 6.114 6.811 5.271 -0.4066 0.3545 -0.4214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37488 11971SOL HW237486 5.997 6.698 5.289 -0.3306 0.4388 0.6662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37489 11972SOL OW37487 5.547 5.734 5.380 0.1454 -0.0092 -0.2427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37490 11972SOL HW137488 5.494 5.723 5.296 -0.2765 -0.8244 0.1202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37491 11972SOL HW237489 5.557 5.646 5.425 0.4765 0.3984 0.5062
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37492 11973SOL OW37490 6.990 5.471 4.126 -0.0145 -0.2999 -0.0223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37493 11973SOL HW137491 6.981 5.427 4.037 1.2843 -1.7411 0.5317
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37494 11973SOL HW237492 7.049 5.552 4.117 -0.4381 -0.0425 -0.5764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37495 11974SOL OW37493 5.892 6.163 4.273 0.8633 0.1665 -0.2787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37496 11974SOL HW137494 5.868 6.066 4.265 0.2120 0.3705 -1.0214
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37497 11974SOL HW237495 5.812 6.214 4.304 1.7746 0.2088 2.1824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37498 11975SOL OW37496 6.814 5.612 5.468 0.8560 0.1940 -0.2486
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37499 11975SOL HW137497 6.872 5.656 5.537 1.3990 -0.5130 -0.2426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37500 11975SOL HW237498 6.792 5.519 5.497 2.1263 -0.5614 -1.5798
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37501 11976SOL OW37499 6.121 5.862 3.831 0.6130 -0.0918 -0.1087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37502 11976SOL HW137500 6.043 5.847 3.892 0.2566 1.0969 -0.2531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37503 11976SOL HW237501 6.145 5.959 3.831 2.4269 -0.4978 0.3173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37504 11977SOL OW37502 6.375 5.686 5.312 0.2553 0.1212 -0.2054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37505 11977SOL HW137503 6.455 5.735 5.347 0.4292 -0.6936 0.5576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37506 11977SOL HW237504 6.351 5.611 5.374 -0.4271 -0.3387 -0.9985
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37507 11978SOL OW37505 6.343 7.114 4.779 -0.2301 -0.2586 0.4182
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37508 11978SOL HW137506 6.424 7.057 4.786 -0.7479 -1.0348 0.2050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37509 11978SOL HW237507 6.267 7.061 4.741 -0.1999 1.0954 -1.7064
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37510 11979SOL OW37508 6.923 6.172 5.043 0.0865 0.1789 -0.5699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37511 11979SOL HW137509 6.923 6.154 5.141 -1.3287 0.8892 -0.4171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37512 11979SOL HW237510 6.951 6.267 5.026 -3.5021 1.3849 -0.4970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37513 11980SOL OW37511 6.406 6.791 4.660 0.4838 -0.5289 -0.3464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37514 11980SOL HW137512 6.451 6.816 4.575 -0.6721 -0.0091 -0.8280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37515 11980SOL HW237513 6.343 6.863 4.688 0.9966 -0.5958 1.0735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37516 11981SOL OW37514 6.511 5.974 4.461 -0.4291 0.2108 -0.4565
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37517 11981SOL HW137515 6.506 5.899 4.396 2.3062 -0.0043 -0.5401
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37518 11981SOL HW237516 6.539 5.939 4.550 2.4936 1.1969 -0.8829
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37519 11982SOL OW37517 6.059 5.678 4.172 -0.1660 0.1801 -0.5956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37520 11982SOL HW137518 6.023 5.621 4.246 -1.7557 0.9132 -0.7847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37521 11982SOL HW237519 6.074 5.771 4.206 -0.5735 0.4340 -1.1073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37522 11983SOL OW37520 6.746 6.773 3.663 -0.3423 -0.0919 0.1456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37523 11983SOL HW137521 6.751 6.866 3.699 -0.0226 -0.2903 0.6233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37524 11983SOL HW237522 6.664 6.728 3.698 -0.0214 -0.2911 0.6434
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37525 11984SOL OW37523 5.768 5.580 3.799 0.5339 0.1394 0.0554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37526 11984SOL HW137524 5.781 5.679 3.795 -0.3527 0.2447 -0.4664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37527 11984SOL HW237525 5.843 5.538 3.851 0.5927 1.1359 0.7940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37528 11985SOL OW37526 6.483 5.611 4.140 -0.2894 0.5470 -0.0979
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37529 11985SOL HW137527 6.424 5.667 4.083 -0.2855 0.1519 -0.4909
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37530 11985SOL HW237528 6.560 5.666 4.173 0.0050 0.6367 -0.9202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37531 11986SOL OW37529 6.470 6.297 5.060 -0.0224 0.4843 0.4671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37532 11986SOL HW137530 6.448 6.203 5.036 1.0187 0.7395 -1.7522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37533 11986SOL HW237531 6.517 6.299 5.148 -0.1791 -1.0572 0.6080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37534 11987SOL OW37532 6.716 7.003 4.380 -0.0902 -0.0788 -0.5955
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37535 11987SOL HW137533 6.701 7.086 4.435 0.9461 0.1018 -0.5627
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37536 11987SOL HW237534 6.805 7.009 4.335 -0.7429 -0.4166 -1.9732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37537 11988SOL OW37535 5.957 6.597 4.476 0.1607 0.2706 -0.2874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37538 11988SOL HW137536 5.880 6.555 4.524 0.5917 -1.9119 -1.3606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37539 11988SOL HW237537 5.930 6.618 4.382 1.0575 -1.3168 -0.9407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37540 11989SOL OW37538 6.756 5.911 3.554 0.0193 0.8316 0.4655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37541 11989SOL HW137539 6.693 5.987 3.542 -0.8377 0.1496 0.5047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37542 11989SOL HW237540 6.719 5.847 3.621 0.5023 0.1525 0.1032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37543 11990SOL OW37541 5.411 5.977 5.175 -0.6157 -0.0415 -0.5397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37544 11990SOL HW137542 5.494 5.951 5.126 -1.3337 -0.4379 -1.5934
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37545 11990SOL HW237543 5.425 5.966 5.274 0.2163 -1.1888 -0.7622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37546 11991SOL OW37544 6.139 5.645 4.938 0.0468 0.1407 -0.7189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37547 11991SOL HW137545 6.093 5.568 4.983 0.0658 -0.5994 -1.9424
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37548 11991SOL HW237546 6.166 5.712 5.008 2.6727 -2.2665 0.7989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37549 11992SOL OW37547 6.229 5.806 4.507 -0.4170 0.1652 -0.1419
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37550 11992SOL HW137548 6.242 5.834 4.412 0.5808 0.7943 0.1698
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37551 11992SOL HW237549 6.258 5.711 4.518 0.6933 0.4859 -0.2014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37552 11993SOL OW37550 6.391 5.542 4.501 -0.3154 -0.4856 0.4840
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37553 11993SOL HW137551 6.342 5.529 4.415 -2.1478 1.6779 1.1112
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37554 11993SOL HW237552 6.347 5.489 4.574 -0.6883 0.1100 0.6984
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37555 11994SOL OW37553 6.896 6.676 4.530 -0.2580 0.1393 0.5032
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37556 11994SOL HW137554 6.889 6.637 4.622 -3.7266 -1.0915 -0.1138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37557 11994SOL HW237555 6.914 6.604 4.464 -0.0424 0.6556 -0.0107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37558 11995SOL OW37556 6.966 6.140 4.699 -0.3308 -0.0301 0.4450
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37559 11995SOL HW137557 6.873 6.118 4.729 -0.8224 1.2275 -0.0738
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37560 11995SOL HW237558 7.030 6.075 4.738 -1.3300 -0.3793 1.5514
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37561 11996SOL OW37559 7.218 6.399 3.680 0.1437 -0.1992 -0.3336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37562 11996SOL HW137560 7.158 6.430 3.755 -0.8084 1.0938 -1.5540
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37563 11996SOL HW237561 7.170 6.412 3.593 1.1649 -1.8109 -1.1680
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37564 11997SOL OW37562 5.782 0.032 3.917 0.1981 0.2025 -0.0087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37565 11997SOL HW137563 5.745 0.011 4.007 -2.6184 0.0900 -1.1059
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37566 11997SOL HW237564 5.816 -0.051 3.874 0.3944 0.0499 0.4582
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37567 11998SOL OW37565 6.982 6.116 3.907 -0.0459 0.3964 -0.0199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37568 11998SOL HW137566 6.975 6.039 3.844 -0.8567 -1.0000 1.7085
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37569 11998SOL HW237567 7.076 6.123 3.940 0.0757 0.2948 -0.3397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37570 11999SOL OW37568 6.261 5.869 4.250 0.3715 0.2502 0.3171
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37571 11999SOL HW137569 6.310 5.837 4.169 2.8945 -0.9670 2.1837
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37572 11999SOL HW237570 6.243 5.967 4.241 1.3978 0.3390 -1.3104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37573 12000SOL OW37571 6.388 6.800 5.053 0.1795 0.0968 -0.1346
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37574 12000SOL HW137572 6.440 6.750 5.122 0.3717 -0.1208 -0.4348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37575 12000SOL HW237573 6.450 6.836 4.984 -0.2962 -3.0298 -2.3721
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37576 12001SOL OW37574 7.229 7.001 5.326 -0.1974 0.4318 0.6321
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37577 12001SOL HW137575 7.143 6.974 5.283 -0.4208 0.7546 0.8723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37578 12001SOL HW237576 7.288 7.046 5.259 -0.1313 0.0149 0.4134
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37579 12002SOL OW37577 6.602 6.671 4.831 0.1951 0.3834 -0.1852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37580 12002SOL HW137578 6.563 6.579 4.837 0.9373 0.1284 1.1328
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37581 12002SOL HW237579 6.554 6.723 4.760 -0.0025 -1.1197 -1.2108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37582 12003SOL OW37580 7.157 6.549 4.617 -0.3198 0.0590 0.2022
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37583 12003SOL HW137581 7.116 6.632 4.655 -1.4635 0.5583 -1.9503
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37584 12003SOL HW237582 7.087 6.479 4.608 0.3676 -0.7229 0.8250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37585 12004SOL OW37583 6.466 5.635 4.861 0.9802 -0.2178 -0.3830
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37586 12004SOL HW137584 6.498 5.556 4.808 2.2739 -0.2897 0.4818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37587 12004SOL HW237585 6.533 5.659 4.930 0.0117 0.8533 0.2247
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37588 12005SOL OW37586 6.353 6.486 5.445 0.5717 0.0085 -0.0177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37589 12005SOL HW137587 6.298 6.551 5.498 -0.4939 0.0895 -1.1682
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37590 12005SOL HW237588 6.331 6.496 5.348 2.6581 0.0408 -0.5356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37591 12006SOL OW37589 6.247 6.388 4.175 0.9387 0.4694 -0.2969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37592 12006SOL HW137590 6.203 6.433 4.253 0.5817 -0.0938 -0.1642
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37593 12006SOL HW237591 6.324 6.443 4.144 3.2993 -0.8902 2.6280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37594 12007SOL OW37592 5.722 6.224 5.039 0.1250 -0.7015 0.8027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37595 12007SOL HW137593 5.794 6.277 5.083 -0.6903 0.1472 1.1505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37596 12007SOL HW237594 5.737 6.223 4.940 1.6041 -2.0717 1.0174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37597 12008SOL OW37595 6.765 5.939 4.958 -0.1024 -0.1461 -0.4835
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37598 12008SOL HW137596 6.806 6.021 4.998 -1.6626 0.1560 0.5613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37599 12008SOL HW237597 6.715 5.964 4.875 -0.5415 -0.0360 -0.1892
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37600 12009SOL OW37598 5.593 7.246 4.850 0.0780 0.2703 0.4415
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37601 12009SOL HW137599 5.627 7.286 4.765 1.7048 1.7915 1.7084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37602 12009SOL HW237600 5.645 7.164 4.871 -0.2145 -0.0170 0.0613
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37603 12010SOL OW37601 5.845 6.608 4.224 0.4141 -0.1757 0.1523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37604 12010SOL HW137602 5.876 6.702 4.209 -0.0280 -0.1030 -0.3412
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37605 12010SOL HW237603 5.816 6.569 4.137 -1.7648 0.0827 0.7087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37606 12011SOL OW37604 6.083 5.976 4.676 0.3640 -0.4614 0.1287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37607 12011SOL HW137605 6.135 5.945 4.596 0.6078 1.4758 -0.5225
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37608 12011SOL HW237606 6.069 6.075 4.670 0.6722 -0.1928 2.6414
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37609 12012SOL OW37607 6.727 7.011 4.031 0.2611 -0.3335 0.3960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37610 12012SOL HW137608 6.800 7.063 4.075 0.1481 -0.0120 0.2006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37611 12012SOL HW237609 6.676 6.960 4.101 -0.5897 1.0089 0.7764
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37612 12013SOL OW37610 6.665 6.927 5.085 0.2380 -0.4103 -0.0358
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37613 12013SOL HW137611 6.680 6.959 5.179 -0.7932 0.6927 -0.2196
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37614 12013SOL HW237612 6.741 6.868 5.057 1.1009 0.1226 1.1079
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37615 12014SOL OW37613 6.905 5.905 4.137 0.0016 0.4171 -0.1416
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37616 12014SOL HW137614 6.834 5.957 4.090 -2.6158 -0.9026 2.0584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37617 12014SOL HW237615 6.908 5.932 4.233 2.8568 0.7050 -0.2135
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37618 12015SOL OW37616 5.900 0.001 4.977 -0.2331 -0.0126 0.3474
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37619 12015SOL HW137617 5.844 -0.082 4.977 0.2472 -0.3454 1.6206
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37620 12015SOL HW237618 5.997 -0.023 4.973 -0.0027 0.3791 2.3138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37621 12016SOL OW37619 5.933 6.359 5.128 0.1438 -0.7244 -0.3387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37622 12016SOL HW137620 6.007 6.335 5.065 -0.2015 -1.8504 -0.3475
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37623 12016SOL HW237621 5.968 6.361 5.222 0.5441 0.4293 -0.5075
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37624 12017SOL OW37622 7.164 6.248 5.392 -0.5003 -0.4504 0.5069
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37625 12017SOL HW137623 7.098 6.173 5.382 -0.7971 -0.1914 0.5303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37626 12017SOL HW237624 7.133 6.327 5.339 0.9401 -1.0818 -1.4109
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37627 12018SOL OW37625 6.533 5.470 5.435 -0.3145 -0.2770 0.0788
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37628 12018SOL HW137626 6.585 5.555 5.425 -0.0455 -0.3982 0.4845
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37629 12018SOL HW237627 6.562 5.405 5.364 -1.6956 0.5580 -1.3353
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37630 12019SOL OW37628 6.016 5.460 5.379 0.0418 -0.4335 0.5453
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37631 12019SOL HW137629 5.964 5.421 5.454 -0.5968 -0.8893 -0.1150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37632 12019SOL HW237630 6.113 5.465 5.404 -0.3189 0.5981 1.8576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37633 12020SOL OW37631 6.083 6.493 4.776 0.0156 0.4441 -0.3307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37634 12020SOL HW137632 6.178 6.508 4.747 1.0819 0.0232 2.6531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37635 12020SOL HW237633 6.054 6.568 4.835 -1.5337 0.5365 -1.1591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37636 12021SOL OW37634 6.806 6.385 4.591 0.0093 -0.2314 -0.2229
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37637 12021SOL HW137635 6.835 6.414 4.500 1.3854 -0.6513 0.0541
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37638 12021SOL HW237636 6.848 6.297 4.612 -0.6761 -0.3634 0.6482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37639 12022SOL OW37637 6.596 5.907 3.850 -0.0468 -0.2452 0.2842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37640 12022SOL HW137638 6.685 5.862 3.856 -0.1792 -0.4078 1.0429
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37641 12022SOL HW237639 6.588 5.976 3.922 0.0331 0.7976 -0.6687
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37642 12023SOL OW37640 5.769 5.659 4.995 -0.0958 0.2951 0.1119
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37643 12023SOL HW137641 5.830 5.659 5.074 -0.0122 -0.3768 0.0496
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37644 12023SOL HW237642 5.809 5.605 4.921 -0.6927 -0.0341 0.0218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37645 12024SOL OW37643 5.471 6.889 4.916 -0.2471 0.0109 0.3736
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37646 12024SOL HW137644 5.419 6.962 4.961 0.2749 1.3306 -1.0857
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37647 12024SOL HW237645 5.553 6.868 4.970 0.0471 1.1241 0.3832
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37648 12025SOL OW37646 6.383 6.192 4.595 0.3294 0.1267 0.1740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37649 12025SOL HW137647 6.399 6.096 4.570 -1.6107 0.3958 -2.5497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37650 12025SOL HW237648 6.288 6.203 4.625 0.6554 1.1447 0.8663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37651 12026SOL OW37649 5.907 5.538 4.330 0.0990 0.0197 0.2584
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37652 12026SOL HW137650 5.854 5.609 4.376 -0.9110 -0.7704 0.3444
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37653 12026SOL HW237651 5.957 5.485 4.399 -1.6837 -1.3864 0.5671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37654 12027SOL OW37652 7.071 5.720 4.078 0.0344 -0.4378 0.0374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37655 12027SOL HW137653 7.151 5.761 4.034 -0.1777 -0.4251 -0.3397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37656 12027SOL HW237654 7.011 5.793 4.112 0.0405 -0.4472 0.0686
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37657 12028SOL OW37655 6.554 6.355 4.453 -0.2429 0.5009 0.4595
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37658 12028SOL HW137656 6.619 6.382 4.524 0.2007 -1.3235 0.7906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37659 12028SOL HW237657 6.483 6.298 4.492 -0.7412 0.5564 -0.3348
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37660 12029SOL OW37658 6.512 6.858 5.389 -0.5172 -0.4298 -0.8785
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37661 12029SOL HW137659 6.430 6.904 5.354 0.4920 1.5674 -0.7590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37662 12029SOL HW237660 6.528 6.774 5.336 -1.9255 -0.2047 -1.7177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37663 12030SOL OW37661 5.889 6.626 5.148 0.0499 0.4658 0.4588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37664 12030SOL HW137662 5.904 6.528 5.162 0.8796 0.8324 2.5107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37665 12030SOL HW237663 5.944 6.658 5.072 0.6872 -0.4418 0.5274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37666 12031SOL OW37664 6.847 5.760 3.827 -0.3202 0.0008 0.1569
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37667 12031SOL HW137665 6.847 5.692 3.754 2.1176 0.3284 -0.2417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37668 12031SOL HW237666 6.925 5.743 3.888 0.0436 2.0851 0.3443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37669 12032SOL OW37667 6.874 6.371 3.856 -0.0139 -0.4947 -0.1869
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37670 12032SOL HW137668 6.894 6.274 3.842 -1.5974 -1.1566 1.6991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37671 12032SOL HW237669 6.790 6.395 3.808 -0.6164 -0.5436 0.8168
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37672 12033SOL OW37670 6.527 6.807 4.394 0.2471 0.6864 -0.1092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37673 12033SOL HW137671 6.564 6.714 4.388 -0.4248 0.3699 0.5821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37674 12033SOL HW237672 6.603 6.872 4.402 0.7045 0.1645 -0.0981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37675 12034SOL OW37673 5.774 6.248 4.759 0.2405 -0.4245 0.6946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37676 12034SOL HW137674 5.704 6.196 4.709 -0.5417 1.0594 0.1811
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37677 12034SOL HW237675 5.855 6.191 4.772 -0.4853 -1.6765 -0.0512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37678 12035SOL OW37676 5.919 6.056 4.876 -0.0578 -0.4927 0.0289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37679 12035SOL HW137677 5.987 6.012 4.817 -0.6298 -1.5000 0.0972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37680 12035SOL HW237678 5.954 6.060 4.970 0.6285 0.6127 -0.2669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37681 12036SOL OW37679 6.656 5.781 5.356 -0.5754 -0.0008 0.1978
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37682 12036SOL HW137680 6.685 5.872 5.386 -0.1771 0.1853 -0.7279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37683 12036SOL HW237681 6.719 5.713 5.393 1.9580 0.4898 -2.7872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37684 12037SOL OW37682 6.600 5.756 5.087 0.1829 0.0085 0.2497
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37685 12037SOL HW137683 6.616 5.747 5.185 -0.2280 -1.9882 0.1703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37686 12037SOL HW237684 6.666 5.820 5.048 1.4774 -0.4918 1.5463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37687 12038SOL OW37685 5.787 6.792 4.003 0.3423 -0.6024 -0.5278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37688 12038SOL HW137686 5.708 6.853 4.005 -0.0707 -0.9205 -3.3190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37689 12038SOL HW237687 5.761 6.703 3.967 2.1447 -0.2875 -2.8752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37690 12039SOL OW37688 6.161 6.977 4.635 0.1713 -0.1554 0.6397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37691 12039SOL HW137689 6.076 7.029 4.626 -0.0437 -0.4575 0.8770
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37692 12039SOL HW237690 6.164 6.905 4.565 0.9680 0.8438 -0.3818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37693 12040SOL OW37691 6.517 6.368 4.775 -0.3691 0.1887 -0.0265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37694 12040SOL HW137692 6.528 6.351 4.873 -0.4590 -2.2323 -0.3720
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37695 12040SOL HW237693 6.475 6.288 4.732 -0.9821 1.4800 -1.9422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37696 12041SOL OW37694 5.599 6.090 4.588 -0.6833 0.9600 0.6275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37697 12041SOL HW137695 5.506 6.063 4.614 -0.6091 0.6584 0.5844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37698 12041SOL HW237696 5.602 6.111 4.490 -0.6505 0.7175 0.5753
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37699 12042SOL OW37697 5.528 5.992 5.442 -0.6306 -0.0268 -0.5037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37700 12042SOL HW137698 5.546 5.894 5.448 -0.5188 0.0671 0.9671
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37701 12042SOL HW237699 5.605 6.037 5.395 0.6121 -0.3190 1.1430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37702 12043SOL OW37700 6.840 6.620 5.220 -0.6349 0.5739 -0.4546
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37703 12043SOL HW137701 6.909 6.585 5.284 0.3700 -0.0211 -1.8080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37704 12043SOL HW237702 6.880 6.625 5.128 -1.3290 3.5122 -0.6918
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37705 12044SOL OW37703 6.291 6.157 4.026 -0.0770 0.0887 1.1006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37706 12044SOL HW137704 6.257 6.217 4.098 0.0829 2.6185 -0.7802
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37707 12044SOL HW237705 6.220 6.145 3.956 0.7430 0.2263 0.2192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37708 12045SOL OW37706 5.500 7.022 5.183 -0.0905 -0.6289 0.0418
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37709 12045SOL HW137707 5.529 7.073 5.264 0.6310 -2.5186 1.0356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37710 12045SOL HW237708 5.443 7.081 5.126 -1.1352 0.6128 2.2087
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37711 12046SOL OW37709 6.358 5.861 4.788 -0.4350 -0.2350 -0.0400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37712 12046SOL HW137710 6.391 5.781 4.838 -0.9520 0.3109 1.2047
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37713 12046SOL HW237711 6.270 5.839 4.745 -0.2856 -0.5139 -0.2092
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37714 12047SOL OW37712 6.084 6.138 3.844 0.0350 -0.4864 -0.6579
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37715 12047SOL HW137713 6.003 6.119 3.899 -0.3097 0.4815 -0.8212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37716 12047SOL HW237714 6.062 6.126 3.747 0.1841 -0.5405 -0.6854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37717 12048SOL OW37715 5.467 6.571 5.170 0.5687 0.1256 -0.0733
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37718 12048SOL HW137716 5.546 6.578 5.231 1.4508 -0.2803 -1.1226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37719 12048SOL HW237717 5.471 6.484 5.121 0.0851 0.5980 -0.9715
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37720 12049SOL OW37718 6.854 6.569 4.788 0.3268 -0.2385 0.0097
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37721 12049SOL HW137719 6.825 6.491 4.733 -1.0097 0.7155 -0.7023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37722 12049SOL HW237720 6.773 6.623 4.815 1.1068 0.2750 1.4479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37723 12050SOL OW37721 6.815 6.271 4.143 0.3234 -0.0431 0.5664
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37724 12050SOL HW137722 6.737 6.219 4.108 0.4904 0.2841 -0.3263
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37725 12050SOL HW237723 6.890 6.209 4.162 0.8524 -0.0828 -1.4031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37726 12051SOL OW37724 7.108 6.985 4.637 -0.0579 0.1314 0.0756
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37727 12051SOL HW137725 7.180 6.978 4.568 0.0169 0.3449 0.1297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37728 12051SOL HW237726 7.149 6.991 4.728 0.0234 3.0969 -0.0524
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37729 12052SOL OW37727 6.600 7.007 4.812 -0.1408 -0.3641 -0.4983
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37730 12052SOL HW137728 6.678 7.003 4.749 -0.8063 0.2506 -1.3807
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37731 12052SOL HW237729 6.626 6.964 4.899 1.7535 1.2548 -0.1744
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37732 12053SOL OW37730 5.565 6.658 4.757 0.1881 -0.1685 -0.3948
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37733 12053SOL HW137731 5.533 6.670 4.851 0.8668 -0.6707 -0.0893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37734 12053SOL HW237732 5.506 6.710 4.695 -1.3468 -1.2243 0.1094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37735 12054SOL OW37733 7.106 7.031 3.768 -0.5796 -0.0853 0.6073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37736 12054SOL HW137734 7.060 7.120 3.763 0.9544 0.7969 1.3852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37737 12054SOL HW237735 7.124 6.997 3.675 -1.6860 0.1312 0.3034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37738 12055SOL OW37736 5.565 7.196 5.368 -0.2493 0.2704 -0.2295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37739 12055SOL HW137737 5.478 7.241 5.389 -0.7337 -0.4974 -0.5539
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37740 12055SOL HW237738 5.633 7.265 5.342 -0.4985 0.9480 0.8727
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37741 12056SOL OW37739 6.905 6.474 4.328 0.2174 0.4973 0.0609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37742 12056SOL HW137740 6.990 6.422 4.326 0.3346 0.6827 0.2076
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37743 12056SOL HW237741 6.844 6.441 4.256 -0.3948 -0.9967 1.2061
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37744 12057SOL OW37742 6.182 6.917 5.153 -0.3546 -0.1383 -0.3374
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37745 12057SOL HW137743 6.186 7.017 5.147 -1.7751 0.1096 1.7723
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37746 12057SOL HW237744 6.267 6.878 5.117 -0.0611 1.7561 -1.8860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37747 12058SOL OW37745 6.327 0.085 3.791 0.1901 0.1777 -0.8808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37748 12058SOL HW137746 6.412 0.088 3.843 -0.6860 1.4655 0.5906
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37749 12058SOL HW237747 6.260 0.031 3.841 -0.0231 -0.4223 -1.7893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37750 12059SOL OW37748 5.779 5.870 4.265 -0.1618 0.0985 -0.1834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37751 12059SOL HW137749 5.771 5.830 4.356 0.5250 -1.5808 -0.8181
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37752 12059SOL HW237750 5.701 5.841 4.209 -0.2408 0.5748 -0.3192
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37753 12060SOL OW37751 6.716 7.019 3.768 0.2912 -0.1559 -0.9202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37754 12060SOL HW137752 6.739 7.012 3.865 0.9563 -1.1818 -1.1379
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37755 12060SOL HW237753 6.621 7.047 3.758 0.2475 0.0601 0.0218
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37756 12061SOL OW37754 6.005 6.738 4.898 0.4183 0.5683 -0.3633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37757 12061SOL HW137755 5.938 6.780 4.837 0.3156 0.4681 -0.3204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37758 12061SOL HW237756 6.056 6.809 4.946 1.3310 0.6686 -1.4598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37759 12062SOL OW37757 6.741 6.579 4.084 -0.1675 -1.1494 0.2570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37760 12062SOL HW137758 6.793 6.658 4.116 -0.4726 0.4536 -2.8735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37761 12062SOL HW237759 6.803 6.501 4.071 0.6591 -0.5622 0.6199
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37762 12063SOL OW37760 5.696 6.860 5.084 -0.1725 0.0205 -0.6274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37763 12063SOL HW137761 5.637 6.910 5.148 -0.0737 0.1033 -0.6014
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37764 12063SOL HW237762 5.770 6.816 5.134 1.0153 1.6541 -0.8885
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37765 12064SOL OW37763 6.486 6.547 4.179 0.0454 -0.4031 0.1482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37766 12064SOL HW137764 6.509 6.494 4.261 1.6451 -1.7284 -1.0874
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37767 12064SOL HW237765 6.571 6.576 4.134 -0.8148 1.0507 -0.5989
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37768 12065SOL OW37766 6.663 5.642 4.506 0.2548 0.2410 0.2367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37769 12065SOL HW137767 6.570 5.605 4.505 -0.4006 1.8293 0.5823
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37770 12065SOL HW237768 6.726 5.569 4.534 -0.9002 -0.7904 0.2712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37771 12066SOL OW37769 5.978 6.850 4.244 -0.2440 -0.0083 -0.0279
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37772 12066SOL HW137770 6.051 6.848 4.312 0.5230 0.6053 -0.8021
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37773 12066SOL HW237771 6.017 6.874 4.155 -1.1697 -1.1124 -0.7567
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37774 12067SOL OW37772 5.985 6.956 3.988 0.2745 0.4608 -0.1413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37775 12067SOL HW137773 6.048 6.943 3.911 0.4859 0.4632 0.0286
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37776 12067SOL HW237774 5.911 6.890 3.982 0.2379 0.5243 -0.4005
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37777 12068SOL OW37775 5.672 6.549 5.347 0.0980 0.0475 -0.0187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37778 12068SOL HW137776 5.685 6.486 5.424 -2.2668 -0.6910 -0.1643
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37779 12068SOL HW237777 5.761 6.573 5.309 1.2105 -1.1345 1.6797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37780 12069SOL OW37778 6.354 5.490 5.082 -0.4294 -0.2341 0.2814
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37781 12069SOL HW137779 6.372 5.532 4.993 1.8092 -1.1536 0.2356
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37782 12069SOL HW237780 6.361 5.559 5.154 0.7014 -0.0063 -0.0219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37783 12070SOL OW37781 5.369 5.673 3.521 -0.0507 -0.4053 0.5570
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37784 12070SOL HW137782 5.274 5.645 3.535 -0.6452 1.8860 1.5129
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37785 12070SOL HW237783 5.427 5.629 3.589 -0.6893 -0.5241 1.0368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37786 12071SOL OW37784 7.041 6.449 4.983 0.9447 0.3068 -0.0090
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37787 12071SOL HW137785 6.995 6.473 4.897 -0.6718 -0.3985 0.6398
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37788 12071SOL HW237786 7.137 6.427 4.963 0.0972 -2.0752 -2.0314
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37789 12072SOL OW37787 5.487 5.773 3.875 -0.2680 0.1298 -0.4871
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37790 12072SOL HW137788 5.401 5.791 3.826 0.2844 0.5221 -1.3420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37791 12072SOL HW237789 5.564 5.794 3.815 0.4413 0.9803 0.6765
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37792 12073SOL OW37790 6.968 6.808 3.854 -0.5003 0.2698 0.2065
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37793 12073SOL HW137791 7.013 6.891 3.821 -0.0027 0.3636 1.0805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37794 12073SOL HW237792 6.872 6.829 3.875 -1.4695 -0.2931 -3.1099
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37795 12074SOL OW37793 6.147 6.281 4.993 -0.0952 -0.2011 0.5458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37796 12074SOL HW137794 6.139 6.321 4.902 1.0593 1.0538 0.9572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37797 12074SOL HW237795 6.213 6.205 4.991 -0.2559 -0.3354 0.2994
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37798 12075SOL OW37796 6.839 6.945 4.689 -0.5157 -0.2915 0.4226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37799 12075SOL HW137797 6.824 6.914 4.595 -0.7980 -2.2213 1.0692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37800 12075SOL HW237798 6.938 6.954 4.705 -0.4473 -0.3759 0.0655
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37801 12076SOL OW37799 6.211 5.811 5.146 0.3014 0.2114 -0.1779
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37802 12076SOL HW137800 6.178 5.896 5.186 -1.8383 -1.5931 2.1977
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37803 12076SOL HW237801 6.273 5.765 5.210 -0.4001 -1.0930 -0.4094
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37804 12077SOL OW37802 7.052 6.760 5.387 -0.3721 -0.1784 0.4893
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37805 12077SOL HW137803 7.052 6.786 5.483 -0.2054 0.9084 0.2137
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37806 12077SOL HW237804 7.007 6.832 5.333 -2.6768 -1.8664 0.0063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37807 12078SOL OW37805 0.036 6.357 4.914 0.4322 0.4238 0.2936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37808 12078SOL HW137806 0.092 6.304 4.977 -1.1718 1.6785 2.9499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37809 12078SOL HW237807 0.090 6.434 4.879 0.3821 1.8657 3.1388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37810 12079SOL OW37808 6.685 5.757 4.241 0.1337 0.2859 -0.7808
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37811 12079SOL HW137809 6.777 5.788 4.217 -0.3032 0.8073 -1.8842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37812 12079SOL HW237810 6.689 5.695 4.319 1.3047 1.1297 -0.1533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37813 12080SOL OW37811 6.074 6.268 4.626 0.1395 0.0035 0.7604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37814 12080SOL HW137812 6.069 6.348 4.686 0.0343 1.2188 -0.8013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37815 12080SOL HW237813 6.051 6.295 4.532 0.6304 -1.7632 0.0908
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37816 12081SOL OW37814 7.077 6.508 5.270 -0.0064 -0.3953 -0.5377
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37817 12081SOL HW137815 7.097 6.598 5.309 -3.1243 0.0464 0.3684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37818 12081SOL HW237816 7.098 6.508 5.172 0.9294 0.9781 -0.3558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37819 12082SOL OW37817 6.335 6.769 3.702 -0.2063 0.1394 -0.1545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37820 12082SOL HW137818 6.396 6.728 3.769 -1.0922 -2.9452 -1.0880
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37821 12082SOL HW237819 6.241 6.761 3.733 -0.5401 -0.2919 -1.2284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37822 12083SOL OW37820 6.348 6.526 4.675 0.3651 0.1168 -0.0626
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37823 12083SOL HW137821 6.431 6.477 4.701 0.4517 -0.2422 -0.9657
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37824 12083SOL HW237822 6.356 6.622 4.701 -0.3708 -0.5534 2.9956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37825 12084SOL OW37823 6.543 6.644 3.845 -0.2231 0.0331 -0.1729
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37826 12084SOL HW137824 6.471 6.576 3.856 -0.6007 0.3488 -0.6432
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37827 12084SOL HW237825 6.573 6.676 3.934 0.6305 -1.4416 0.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37828 12085SOL OW37826 0.085 6.978 4.513 0.5283 0.3857 0.0571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37829 12085SOL HW137827 0.152 7.049 4.532 2.1003 -1.2530 0.9407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37830 12085SOL HW237828 0.126 6.908 4.455 -1.5082 0.9504 -2.2389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37831 12086SOL OW37829 5.783 6.896 5.378 -0.5620 0.1420 0.0850
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37832 12086SOL HW137830 5.752 6.840 5.455 1.6013 -0.2405 0.7457
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37833 12086SOL HW237831 5.739 6.986 5.382 -1.6606 -0.4057 0.8394
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37834 12087SOL OW37832 5.613 6.822 4.312 0.0440 0.4712 0.0900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37835 12087SOL HW137833 5.524 6.790 4.344 0.1732 0.9565 0.9578
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37836 12087SOL HW237834 5.676 6.744 4.307 -0.0037 0.3675 0.9499
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37837 12088SOL OW37835 6.243 7.189 5.239 0.4322 0.7132 0.3695
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37838 12088SOL HW137836 6.295 7.274 5.243 0.3953 0.8363 -1.3049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37839 12088SOL HW237837 6.241 7.147 5.330 2.0041 1.5640 0.8256
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37840 12089SOL OW37838 7.075 5.906 5.073 0.7443 0.5957 0.3205
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37841 12089SOL HW137839 7.006 5.938 5.009 0.3474 -0.6610 0.0852
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37842 12089SOL HW237840 7.155 5.965 5.068 0.3903 1.0166 -0.7289
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37843 12090SOL OW37841 5.917 5.896 4.010 -0.6683 -0.0671 -0.3023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37844 12090SOL HW137842 5.876 5.882 4.100 -2.4549 2.3002 -0.6336
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37845 12090SOL HW237843 5.848 5.883 3.939 0.1567 0.2201 -1.1916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37846 12091SOL OW37844 5.661 5.922 5.039 -0.8886 0.3588 -0.0965
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37847 12091SOL HW137845 5.709 5.835 5.026 -3.3861 -1.0434 -0.6275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37848 12091SOL HW237846 5.720 5.997 5.012 1.2304 -1.1817 0.0158
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37849 12092SOL OW37847 6.406 7.217 4.437 0.2839 0.0983 -0.6458
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37850 12092SOL HW137848 6.399 7.274 4.356 0.1328 0.1474 -0.5975
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37851 12092SOL HW237849 6.323 7.226 4.492 0.3250 -0.0479 -0.5601
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37852 12093SOL OW37850 0.063 5.807 4.880 0.7122 -0.4305 -0.6024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37853 12093SOL HW137851 0.060 5.712 4.850 -1.3088 -0.1802 -1.3564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37854 12093SOL HW237852 -0.011 5.823 4.946 1.2375 0.5519 -0.2388
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37855 12094SOL OW37853 6.581 5.412 4.748 -0.3019 0.4903 0.5752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37856 12094SOL HW137854 6.526 5.356 4.685 -0.4583 0.2544 0.9209
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37857 12094SOL HW237855 6.671 5.427 4.708 0.5338 -1.8626 1.4311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37858 12095SOL OW37856 6.285 6.731 4.126 0.1348 0.0914 0.9188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37859 12095SOL HW137857 6.365 6.674 4.142 -1.1922 -2.0574 0.3104
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37860 12095SOL HW237858 6.308 6.827 4.145 2.7275 -0.4761 1.0063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37861 12096SOL OW37859 6.156 7.199 4.981 0.4210 0.2877 0.4380
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37862 12096SOL HW137860 6.197 7.193 5.072 0.8381 -1.4895 0.1694
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37863 12096SOL HW237861 6.226 7.182 4.912 0.0424 1.3118 -0.2235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37864 12097SOL OW37862 6.793 5.544 3.631 -0.0627 -0.1450 -0.2932
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37865 12097SOL HW137863 6.877 5.509 3.590 -0.3912 -0.6931 -0.4976
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37866 12097SOL HW237864 6.738 5.469 3.665 -0.0994 0.2634 0.5793
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37867 12098SOL OW37865 6.909 5.955 4.406 0.8039 0.1077 0.2267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37868 12098SOL HW137866 6.834 6.010 4.442 -0.1750 -1.1888 0.2521
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37869 12098SOL HW237867 6.956 5.908 4.481 -0.8568 -2.1191 -0.0108
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37870 12099SOL OW37868 7.181 5.538 4.436 0.5235 0.1880 -0.3034
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37871 12099SOL HW137869 7.204 5.578 4.348 -0.4643 -0.9927 -1.1191
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37872 12099SOL HW237870 7.118 5.462 4.424 1.6757 -1.1022 1.2681
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37873 12100SOL OW37871 5.487 6.519 4.000 -0.3837 0.3862 -0.0020
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37874 12100SOL HW137872 5.578 6.484 3.980 0.0791 1.9096 -0.6801
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37875 12100SOL HW237873 5.423 6.490 3.929 -0.1632 0.3437 -0.1824
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37876 12101SOL OW37874 6.072 6.416 5.369 0.0967 -0.0998 0.5303
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37877 12101SOL HW137875 6.165 6.390 5.396 -0.1147 0.5449 1.9590
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37878 12101SOL HW237876 6.040 6.490 5.428 0.2329 2.6548 -2.5588
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37879 12102SOL OW37877 5.797 5.813 6.453 0.5920 0.0281 -0.1138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37880 12102SOL HW137878 5.781 5.730 6.507 1.4323 -0.3853 -0.4910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37881 12102SOL HW237879 5.709 5.859 6.437 0.0978 -0.8732 -0.0533
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37882 12103SOL OW37880 5.584 5.895 6.324 0.0339 -0.1854 0.6929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37883 12103SOL HW137881 5.491 5.911 6.358 -0.2719 -1.4473 0.5004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37884 12103SOL HW237882 5.579 5.846 6.237 0.8898 -1.0446 1.1159
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37885 12104SOL OW37883 6.224 6.793 6.696 0.2203 0.0148 0.0821
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37886 12104SOL HW137884 6.125 6.795 6.709 0.1934 0.8896 -0.2133
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37887 12104SOL HW237885 6.250 6.857 6.624 1.0095 -0.1739 0.1836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37888 12105SOL OW37886 0.106 7.250 6.063 -0.3346 -0.1380 0.2735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37889 12105SOL HW137887 0.006 7.254 6.052 -0.6060 -0.0073 2.3203
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37890 12105SOL HW237888 0.137 7.331 6.112 0.8938 0.1172 -0.8996
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37891 12106SOL OW37889 6.358 6.224 6.078 -0.0188 -0.1657 -0.3689
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37892 12106SOL HW137890 6.377 6.280 6.159 -1.5630 -0.9340 0.5970
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37893 12106SOL HW237891 6.394 6.132 6.092 0.2687 -0.1258 -0.8399
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37894 12107SOL OW37892 7.157 6.136 5.638 -0.2850 -0.0321 -0.4651
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37895 12107SOL HW137893 7.158 6.179 5.548 0.0531 0.1759 -0.3663
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37896 12107SOL HW237894 7.214 6.054 5.637 0.0655 0.2058 -0.3318
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37897 12108SOL OW37895 6.294 6.578 6.495 -0.2104 -0.7438 -0.0106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37898 12108SOL HW137896 6.275 6.647 6.564 -0.2107 -2.6096 1.9594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37899 12108SOL HW237897 6.238 6.594 6.414 0.5082 2.0785 -0.0295
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37900 12109SOL OW37898 6.248 6.256 7.235 -0.1533 0.6750 0.1619
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37901 12109SOL HW137899 6.294 6.213 7.313 1.1098 0.9728 -0.4051
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37902 12109SOL HW237900 6.299 6.337 7.206 -0.6694 0.6408 -0.8986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37903 12110SOL OW37901 6.420 6.405 6.277 -0.1315 -0.6374 -0.0634
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37904 12110SOL HW137902 6.458 6.344 6.347 -0.2248 1.2263 1.7073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37905 12110SOL HW237903 6.355 6.468 6.320 1.7479 2.3302 -1.2669
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37906 12111SOL OW37904 5.905 6.817 6.775 -0.3151 0.7081 -0.3748
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37907 12111SOL HW137905 5.896 6.744 6.843 -2.7547 -0.2452 -1.6244
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37908 12111SOL HW237906 5.814 6.850 6.750 0.5476 1.3693 -2.8258
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37909 12112SOL OW37907 6.789 6.735 7.158 -0.3070 -0.3475 -0.9147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37910 12112SOL HW137908 6.804 6.646 7.201 0.3517 -0.4438 -1.3174
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37911 12112SOL HW237909 6.704 6.732 7.104 -0.2800 -0.7328 -0.9367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37912 12113SOL OW37910 6.089 5.712 6.881 -0.2062 0.0468 0.3910
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37913 12113SOL HW137911 6.097 5.748 6.974 -1.9391 -1.9266 1.3946
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37914 12113SOL HW237912 6.002 5.742 6.842 -0.3356 -0.6606 0.1310
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37915 12114SOL OW37913 5.802 6.903 6.038 -0.2870 -0.3227 -0.4149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37916 12114SOL HW137914 5.810 6.999 6.064 0.5835 -0.8214 1.3743
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37917 12114SOL HW237915 5.892 6.867 6.013 -0.2910 -1.0317 0.4916
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37918 12115SOL OW37916 5.912 6.639 6.423 -0.0121 0.2080 0.3568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37919 12115SOL HW137917 5.940 6.545 6.408 -1.2003 0.0237 -0.9149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37920 12115SOL HW237918 5.905 6.656 6.522 -0.5434 -1.2753 0.6031
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37921 12116SOL OW37919 6.145 6.568 5.799 -0.0560 0.2778 -0.5420
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37922 12116SOL HW137920 6.171 6.619 5.718 -0.7346 -0.2709 -1.1188
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37923 12116SOL HW237921 6.227 6.541 5.850 0.4339 -0.2440 -1.5866
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37924 12117SOL OW37922 7.243 5.560 7.001 -0.4322 0.0031 0.3281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37925 12117SOL HW137923 7.279 5.579 6.910 0.4358 -1.2930 0.3781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37926 12117SOL HW237924 7.144 5.575 7.002 -0.4392 0.0905 -0.8165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37927 12118SOL OW37925 5.741 6.089 6.212 0.3076 0.1448 0.0041
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37928 12118SOL HW137926 5.695 6.020 6.267 1.0752 -0.4879 -0.1326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37929 12118SOL HW237927 5.838 6.093 6.238 1.0066 -1.0970 -2.1459
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37930 12119SOL OW37928 5.451 7.175 5.687 0.8359 -0.1340 0.3887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37931 12119SOL HW137929 5.454 7.093 5.630 1.2021 -0.6761 1.1699
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37932 12119SOL HW237930 5.475 7.151 5.781 1.4063 0.9505 0.5354
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37933 12120SOL OW37931 7.173 6.490 6.217 0.5990 -0.0020 -0.1936
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37934 12120SOL HW137932 7.232 6.499 6.298 0.1655 0.7571 0.0519
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37935 12120SOL HW237933 7.225 6.451 6.142 1.2598 0.1221 0.1895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37936 12121SOL OW37934 5.402 6.202 7.174 0.2907 0.5615 0.5368
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37937 12121SOL HW137935 5.407 6.286 7.120 1.5450 0.2371 0.1177
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37938 12121SOL HW237936 5.307 6.171 7.178 0.0827 0.9113 -0.9883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37939 12122SOL OW37937 6.243 7.029 6.300 0.1309 0.1659 -0.0940
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37940 12122SOL HW137938 6.152 7.069 6.304 0.7911 1.6698 1.4653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37941 12122SOL HW237939 6.262 6.997 6.207 -1.3982 1.2366 -0.8143
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37942 12123SOL OW37940 6.777 6.445 6.933 0.3948 -0.0556 0.4274
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37943 12123SOL HW137941 6.864 6.422 6.888 0.1509 1.2946 -0.8017
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37944 12123SOL HW237942 6.792 6.450 7.032 2.1081 1.6648 0.1430
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37945 12124SOL OW37943 5.807 6.391 6.780 0.6558 0.4120 -0.2304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37946 12124SOL HW137944 5.903 6.363 6.770 -0.1085 -1.9869 -1.5981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37947 12124SOL HW237945 5.763 6.391 6.690 -1.3553 -1.4074 0.6878
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37948 12125SOL OW37946 7.101 6.606 5.804 0.2186 0.0488 -0.0583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37949 12125SOL HW137947 7.003 6.590 5.814 0.5757 -1.2003 2.0449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37950 12125SOL HW237948 7.145 6.524 5.767 0.6190 0.1600 0.1549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37951 12126SOL OW37949 5.843 5.964 7.208 -0.6301 -0.0239 0.3103
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37952 12126SOL HW137950 5.894 6.032 7.156 -0.5927 0.0128 0.3952
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37953 12126SOL HW237951 5.746 5.968 7.183 -0.4126 -0.9332 -0.7667
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37954 12127SOL OW37952 7.136 7.077 6.090 -0.0823 -0.2673 0.0431
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37955 12127SOL HW137953 7.193 7.064 6.171 1.0042 0.8051 -0.5259
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37956 12127SOL HW237954 7.120 6.988 6.046 -0.1341 -0.7675 1.0433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37957 12128SOL OW37955 7.192 0.111 6.290 -0.2730 0.3484 0.1081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37958 12128SOL HW137956 7.241 0.156 6.364 -0.5325 1.4557 -0.3697
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37959 12128SOL HW237957 7.184 0.013 6.310 3.3443 -0.2061 -0.4382
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37960 12129SOL OW37958 6.015 6.324 5.739 0.0211 -0.9844 0.0618
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37961 12129SOL HW137959 6.069 6.406 5.756 1.3350 -1.9190 0.6055
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37962 12129SOL HW237960 5.980 6.289 5.826 -2.6527 0.3262 -0.3881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37963 12130SOL OW37961 6.801 5.911 6.490 0.1350 0.0222 -0.3391
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37964 12130SOL HW137962 6.737 5.834 6.498 1.0436 -0.5234 4.1305
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37965 12130SOL HW237963 6.894 5.878 6.506 0.9980 1.6007 -1.7825
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37966 12131SOL OW37964 7.103 0.022 5.813 0.2697 0.6425 0.3875
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37967 12131SOL HW137965 7.182 -0.039 5.803 -0.9116 -0.9565 0.4299
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37968 12131SOL HW237966 7.043 0.013 5.733 -0.5731 0.7744 0.9879
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37969 12132SOL OW37967 6.276 5.964 6.885 0.0546 -0.2896 -0.1025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37970 12132SOL HW137968 6.200 5.932 6.941 0.1046 -0.1182 0.0615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37971 12132SOL HW237969 6.247 5.969 6.789 0.1292 -1.1042 -0.1746
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37972 12133SOL OW37970 6.517 6.296 7.091 -0.1423 0.0986 -0.1479
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37973 12133SOL HW137971 6.529 6.245 7.006 -1.8564 0.4385 -0.6311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37974 12133SOL HW237972 6.574 6.254 7.163 0.0319 -1.2452 -1.0277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37975 12134SOL OW37973 6.477 5.855 6.580 -0.2353 0.3599 -0.2293
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37976 12134SOL HW137974 6.383 5.881 6.561 0.0276 0.8967 -0.8703
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37977 12134SOL HW237975 6.515 5.808 6.500 -0.1555 -0.4278 0.2649
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37978 12135SOL OW37976 6.389 6.242 5.791 0.5017 0.1043 -0.5396
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37979 12135SOL HW137977 6.344 6.258 5.879 0.5467 1.7107 -0.7858
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37980 12135SOL HW237978 6.321 6.218 5.722 0.6243 -3.0255 0.2644
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37981 12136SOL OW37979 5.714 6.382 6.536 0.5956 0.1129 0.1126
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37982 12136SOL HW137980 5.801 6.394 6.487 0.0543 -0.1601 -0.9443
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37983 12136SOL HW237981 5.639 6.408 6.476 -0.0778 -0.0064 0.8969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37984 12137SOL OW37982 5.603 0.018 7.138 0.2733 -0.2571 0.0544
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37985 12137SOL HW137983 5.532 0.070 7.092 -1.2291 0.2141 2.7073
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37986 12137SOL HW237984 5.618 -0.068 7.090 -1.2981 0.1266 -1.1778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37987 12138SOL OW37985 6.100 5.917 5.525 0.2424 0.0605 -0.6235
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37988 12138SOL HW137986 6.154 5.847 5.572 -0.1535 0.4447 0.4307
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37989 12138SOL HW237987 6.005 5.888 5.521 0.6153 -1.1295 -3.4548
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37990 12139SOL OW37988 7.032 6.796 6.043 0.2234 -0.4675 0.3758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37991 12139SOL HW137989 7.077 6.709 6.022 1.3709 0.6105 -1.9338
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37992 12139SOL HW237990 6.953 6.808 5.983 0.8604 0.6414 -0.2760
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37993 12140SOL OW37991 5.976 5.492 6.577 -0.2063 -0.0796 -0.9591
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37994 12140SOL HW137992 5.911 5.563 6.606 0.1617 -0.0541 -0.1631
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37995 12140SOL HW237993 6.064 5.508 6.621 -0.1348 -1.0673 -0.7195
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37996 12141SOL OW37994 6.697 7.043 6.074 0.1407 0.2867 0.0690
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37997 12141SOL HW137995 6.773 7.108 6.077 1.3004 -0.9846 -0.7250
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37998 12141SOL HW237996 6.615 7.086 6.112 1.0929 1.8917 0.3973
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
37999 12142SOL OW37997 5.770 7.065 6.454 -0.0087 -0.2369 -0.0692
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38000 12142SOL HW137998 5.780 6.996 6.383 -1.6503 -0.1849 -0.3981
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38001 12142SOL HW237999 5.858 7.080 6.499 0.6790 -1.5148 -0.9237
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38002 12143SOL OW38000 7.168 6.877 6.507 -0.1646 0.1796 0.0525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38003 12143SOL HW138001 7.114 6.834 6.435 1.6383 -2.0950 -0.0606
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38004 12143SOL HW238002 7.111 6.892 6.587 -1.2514 -1.0558 -0.4536
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38005 12144SOL OW38003 6.811 6.918 0.089 0.7194 0.0432 -0.0326
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38006 12144SOL HW138004 6.774 6.874 0.171 -2.4142 2.8593 0.2583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38007 12144SOL HW238005 6.807 6.855 0.012 -0.0252 -1.3737 1.1166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38008 12145SOL OW38006 5.849 6.599 5.832 0.5112 -0.8303 -0.4352
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38009 12145SOL HW138007 5.872 6.692 5.803 -1.2476 0.5978 2.3974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38010 12145SOL HW238008 5.928 6.539 5.816 2.0213 1.2953 -1.4847
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38011 12146SOL OW38009 7.146 6.002 6.273 0.8540 0.2182 0.1140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38012 12146SOL HW138010 7.145 6.055 6.357 2.1872 -1.1165 1.0107
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38013 12146SOL HW238011 7.201 6.049 6.204 1.9892 0.0548 0.8834
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38014 12147SOL OW38012 5.972 6.746 7.246 0.0587 -0.3536 0.1510
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38015 12147SOL HW138013 5.940 6.723 7.154 1.0936 -1.5581 0.0740
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38016 12147SOL HW238014 5.911 6.705 7.314 -0.5027 0.2436 0.0165
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38017 12148SOL OW38015 5.810 5.754 6.949 0.1290 0.5325 0.1535
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38018 12148SOL HW138016 5.842 5.694 7.022 0.4582 -0.0053 -0.4140
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38019 12148SOL HW238017 5.770 5.837 6.988 -2.1787 -0.9129 1.0615
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38020 12149SOL OW38018 6.894 5.677 6.259 -0.2417 -0.0422 0.0264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38021 12149SOL HW138019 6.850 5.619 6.327 -0.1609 1.1233 1.1145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38022 12149SOL HW238020 6.991 5.687 6.281 -0.4014 1.0813 0.2867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38023 12150SOL OW38021 5.927 6.234 5.974 0.0321 0.1503 -0.4941
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38024 12150SOL HW138022 5.935 6.135 5.989 -0.1912 0.5738 3.6883
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38025 12150SOL HW238023 5.837 6.266 6.007 1.5988 2.1640 2.2818
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38026 12151SOL OW38024 6.271 5.447 5.476 0.5781 0.1474 0.2568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38027 12151SOL HW138025 6.255 5.506 5.554 -1.0233 1.3494 -0.9016
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38028 12151SOL HW238026 6.368 5.443 5.455 0.9121 0.6401 1.6492
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38029 12152SOL OW38027 6.137 5.868 7.118 -0.6106 0.4553 -0.1118
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38030 12152SOL HW138028 6.217 5.850 7.175 -1.5311 -0.6784 0.8730
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38031 12152SOL HW238029 6.090 5.950 7.151 -0.4133 0.5547 -0.0772
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38032 12153SOL OW38030 6.614 6.944 6.696 -0.8100 -0.6028 0.3864
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38033 12153SOL HW138031 6.604 6.916 6.600 -0.2703 -0.5874 0.3238
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38034 12153SOL HW238032 6.655 6.869 6.748 1.2236 0.2425 0.0969
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38035 12154SOL OW38033 7.080 5.909 6.863 -0.2816 -0.1161 0.0640
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38036 12154SOL HW138034 7.052 5.829 6.914 -0.7434 0.4068 0.6463
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38037 12154SOL HW238035 7.017 5.985 6.882 -1.5387 -0.3843 -2.6349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38038 12155SOL OW38036 6.473 6.912 6.432 0.2498 0.4241 -0.7662
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38039 12155SOL HW138037 6.566 6.942 6.410 0.5559 0.2969 0.2641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38040 12155SOL HW238038 6.407 6.970 6.385 0.8491 1.5314 -0.2842
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38041 12156SOL OW38039 6.490 5.936 6.266 -0.8457 0.7768 0.0283
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38042 12156SOL HW138040 6.473 5.916 6.170 -0.0687 -1.4396 0.3056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38043 12156SOL HW238041 6.552 5.868 6.305 -0.9565 1.7371 2.0625
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38044 12157SOL OW38042 6.160 5.502 5.939 0.2266 0.3419 0.1489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38045 12157SOL HW138043 6.134 5.556 6.019 0.2124 1.3175 -0.5018
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38046 12157SOL HW238044 6.178 5.563 5.862 1.4444 -0.5078 -0.2652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38047 12158SOL OW38045 7.023 6.791 5.654 -0.1110 0.2090 0.0543
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38048 12158SOL HW138046 7.065 6.727 5.719 0.3670 3.2850 3.0267
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38049 12158SOL HW238047 6.926 6.770 5.644 -0.0802 -0.6637 1.3494
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38050 12159SOL OW38048 5.939 5.604 5.654 0.2115 -0.4285 -0.3234
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38051 12159SOL HW138049 6.038 5.606 5.667 0.1434 -2.0667 0.7958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38052 12159SOL HW238050 5.910 5.511 5.630 -0.8835 0.3929 -2.5538
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38053 12160SOL OW38051 6.527 5.825 5.753 -0.3537 -0.7055 -0.0385
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38054 12160SOL HW138052 6.452 5.762 5.732 0.3725 -1.6083 -0.0320
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38055 12160SOL HW238053 6.610 5.793 5.706 -0.3665 1.2456 -1.4944
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38056 12161SOL OW38054 6.492 6.110 6.871 -0.7071 -0.1948 0.0900
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38057 12161SOL HW138055 6.410 6.056 6.893 -0.2873 -0.5121 0.9189
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38058 12161SOL HW238056 6.554 6.055 6.816 0.6958 -1.4157 2.7037
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38059 12162SOL OW38057 6.885 7.182 6.345 0.0567 0.0477 0.1024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38060 12162SOL HW138058 6.980 7.182 6.377 0.7707 -0.7345 -1.8373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38061 12162SOL HW238059 6.882 7.215 6.250 -1.4709 -0.8863 -0.2162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38062 12163SOL OW38060 6.151 6.604 6.246 0.0799 -0.5241 -0.3707
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38063 12163SOL HW138061 6.059 6.640 6.258 0.0973 -0.3975 -0.6145
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38064 12163SOL HW238062 6.146 6.515 6.199 0.0239 -0.9325 0.3986
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38065 12164SOL OW38063 6.687 6.087 5.426 0.3206 0.1490 -0.3958
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38066 12164SOL HW138064 6.658 6.175 5.388 0.1800 -0.0089 -0.6551
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38067 12164SOL HW238065 6.650 6.076 5.518 -0.4429 -0.0482 -0.7241
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38068 12165SOL OW38066 5.650 5.985 6.846 -0.1058 0.2455 0.0054
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38069 12165SOL HW138067 5.726 5.966 6.783 1.7599 -1.8202 2.6583
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38070 12165SOL HW238068 5.674 6.062 6.905 0.4009 -0.9700 1.4426
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38071 12166SOL OW38069 6.233 5.559 6.696 0.1190 -0.0723 0.3367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38072 12166SOL HW138070 6.333 5.568 6.698 -0.0268 2.5709 -0.6406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38073 12166SOL HW238071 6.193 5.614 6.770 -0.6521 -0.2968 0.0925
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38074 12167SOL OW38072 6.446 5.934 6.000 0.3062 0.0011 -0.1173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38075 12167SOL HW138073 6.352 5.927 5.967 0.4704 1.4791 -0.9576
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38076 12167SOL HW238074 6.508 5.945 5.923 0.9045 1.5547 0.5517
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38077 12168SOL OW38075 6.368 5.594 6.176 -0.2582 -0.1831 -0.2251
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38078 12168SOL HW138076 6.284 5.647 6.186 -1.5248 -1.7255 -1.9381
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38079 12168SOL HW238077 6.346 5.496 6.176 1.8054 -0.7376 1.2053
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38080 12169SOL OW38078 6.906 6.784 6.287 0.3533 -0.3040 0.2106
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38081 12169SOL HW138079 6.840 6.712 6.268 -1.0962 1.0272 -0.0389
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38082 12169SOL HW238080 6.961 6.801 6.205 -0.1840 -0.2557 -0.1464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38083 12170SOL OW38081 7.156 6.249 6.406 -0.6816 -0.3778 0.5049
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38084 12170SOL HW138082 7.214 6.292 6.476 0.3568 -1.0414 0.0660
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38085 12170SOL HW238083 7.085 6.313 6.378 0.5337 0.8945 0.2183
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38086 12171SOL OW38084 0.044 6.376 5.986 -0.2077 0.6646 -0.0264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38087 12171SOL HW138085 0.144 6.381 5.995 0.2516 -3.0743 -1.4204
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38088 12171SOL HW238086 0.018 6.401 5.893 -0.4013 0.1014 -0.1230
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38089 12172SOL OW38087 5.999 6.977 5.535 -0.3862 0.0489 -0.0797
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38090 12172SOL HW138088 5.949 6.973 5.622 -1.2724 1.5655 -0.4865
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38091 12172SOL HW238089 5.962 6.909 5.472 -1.3685 0.5484 -0.0641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38092 12173SOL OW38090 6.914 6.262 5.665 -0.3041 0.2637 -0.6212
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38093 12173SOL HW138091 6.845 6.192 5.645 0.4724 -0.1473 -2.0152
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38094 12173SOL HW238092 7.005 6.225 5.647 0.0936 1.8371 -2.1433
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38095 12174SOL OW38093 6.206 5.965 5.835 0.7521 0.1149 -0.0324
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38096 12174SOL HW138094 6.227 5.872 5.805 -2.2855 -0.6976 0.0297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38097 12174SOL HW238095 6.190 6.023 5.755 0.5920 0.0353 -0.0587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38098 12175SOL OW38096 6.621 6.663 6.854 -0.1252 0.3455 0.2462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38099 12175SOL HW138097 6.575 6.710 6.929 -0.1562 0.2183 0.3056
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38100 12175SOL HW238098 6.670 6.584 6.889 -0.5338 0.0075 0.0691
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38101 12176SOL OW38099 7.012 7.131 0.081 0.6081 -0.1409 0.3373
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38102 12176SOL HW138100 6.938 7.065 0.074 1.2579 -0.8004 -0.4006
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38103 12176SOL HW238101 7.050 7.149 -0.009 -0.2340 2.0470 0.3656
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38104 12177SOL OW38102 6.801 6.685 6.657 -0.3900 -0.2353 -0.0173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38105 12177SOL HW138103 6.736 6.667 6.731 -0.1801 0.3677 0.3223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38106 12177SOL HW238104 6.751 6.712 6.574 -0.5867 -0.0458 0.1629
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38107 12178SOL OW38105 7.030 6.791 7.004 0.7680 0.3610 0.0260
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38108 12178SOL HW138106 7.119 6.785 7.051 0.6110 0.3197 0.3217
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38109 12178SOL HW238107 6.957 6.771 7.070 0.6200 -1.1568 -0.5577
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38110 12179SOL OW38108 6.520 5.606 6.714 -0.0632 0.2823 -0.0928
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38111 12179SOL HW138109 6.507 5.683 6.652 1.0246 -0.2560 -1.0275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38112 12179SOL HW238110 6.546 5.640 6.805 3.2946 1.0399 -1.1964
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38113 12180SOL OW38111 6.365 6.518 5.972 0.4444 0.5459 0.2607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38114 12180SOL HW138112 6.383 6.506 6.069 -0.8968 -2.2878 0.2628
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38115 12180SOL HW238113 6.450 6.505 5.920 0.5570 -1.4830 0.8853
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38116 12181SOL OW38114 6.012 6.189 6.790 -0.2446 -0.3968 -0.6281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38117 12181SOL HW138115 6.103 6.217 6.760 -0.3560 -0.2656 -0.8505
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38118 12181SOL HW238116 5.991 6.099 6.752 -0.7299 0.1362 -1.6787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38119 12182SOL OW38117 6.649 6.003 6.688 0.3281 -0.3298 -0.3224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38120 12182SOL HW138118 6.723 5.968 6.630 -0.3175 -0.9653 -0.7750
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38121 12182SOL HW238119 6.565 5.951 6.670 -0.8245 1.8226 -1.4413
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38122 12183SOL OW38120 5.790 7.197 6.773 0.3379 0.1710 -0.6523
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38123 12183SOL HW138121 5.845 7.248 6.840 1.0522 1.5519 -2.2161
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38124 12183SOL HW238122 5.848 7.131 6.726 0.0039 -0.2999 -0.4115
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38125 12184SOL OW38123 6.061 6.801 5.960 -0.0548 -0.5363 0.0728
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38126 12184SOL HW138124 6.137 6.846 6.005 0.7778 -1.0274 -0.8013
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38127 12184SOL HW238125 6.093 6.718 5.914 -1.1653 -0.9009 -0.0877
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38128 12185SOL OW38126 6.022 6.076 6.284 -0.3408 0.4307 -0.3485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38129 12185SOL HW138127 6.011 6.018 6.203 -1.6504 -2.2041 1.5872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38130 12185SOL HW238128 6.110 6.057 6.327 0.3769 1.8668 -1.0881
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38131 12186SOL OW38129 6.701 6.784 5.949 -0.4903 0.5408 0.1512
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38132 12186SOL HW138130 6.713 6.881 5.969 1.0573 0.5824 -0.8400
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38133 12186SOL HW238131 6.693 6.733 6.035 -0.3743 1.4302 0.7012
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38134 12187SOL OW38132 6.995 6.888 6.723 -0.3759 0.2030 -0.5485
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38135 12187SOL HW138133 6.999 6.877 6.822 0.7174 -0.9351 -0.6915
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38136 12187SOL HW238134 6.935 6.818 6.684 0.7744 -0.6512 -0.8403
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38137 12188SOL OW38135 6.934 6.117 6.055 -0.6885 0.6102 0.3754
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38138 12188SOL HW138136 6.856 6.105 6.116 -0.6455 -0.1976 0.2778
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38139 12188SOL HW238137 7.015 6.143 6.108 -0.4884 -0.7491 0.7558
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38140 12189SOL OW38138 5.980 7.050 6.658 -0.2450 0.2988 -0.4287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38141 12189SOL HW138139 5.950 6.969 6.709 -0.7652 0.9116 0.2711
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38142 12189SOL HW238140 6.071 7.034 6.622 0.0132 -0.2844 0.4311
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38143 12190SOL OW38141 5.700 6.231 6.965 0.5657 -0.2327 0.9572
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38144 12190SOL HW138142 5.654 6.289 7.032 -2.1936 2.0505 -2.5395
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38145 12190SOL HW238143 5.752 6.288 6.901 -0.9280 -1.6317 -1.6872
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38146 12191SOL OW38144 6.925 6.209 7.077 0.3469 -0.5710 -0.3598
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38147 12191SOL HW138145 6.906 6.143 7.004 -1.1701 -1.0379 0.4169
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38148 12191SOL HW238146 6.928 6.301 7.038 0.4194 -0.8953 -1.1404
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38149 12192SOL OW38147 6.184 6.333 6.508 -0.0943 0.8150 0.5545
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38150 12192SOL HW138148 6.230 6.421 6.498 -0.4747 0.8718 -1.0198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38151 12192SOL HW238149 6.229 6.279 6.578 1.4893 1.4223 0.0468
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38152 12193SOL OW38150 6.883 6.397 6.322 -0.0146 0.3332 0.3488
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38153 12193SOL HW138151 6.824 6.319 6.301 3.7579 -3.7175 2.8322
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38154 12193SOL HW238152 6.933 6.424 6.240 -0.7567 -0.4994 -0.3957
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38155 12194SOL OW38153 6.582 6.085 5.689 0.6333 -0.0554 0.4462
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38156 12194SOL HW138154 6.552 5.989 5.695 1.3069 -0.4601 -1.6898
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38157 12194SOL HW238155 6.509 6.144 5.724 -0.2105 -1.2971 0.8828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38158 12195SOL OW38156 5.774 5.658 6.697 0.5890 0.4538 -0.6673
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38159 12195SOL HW138157 5.795 5.697 6.786 -0.5829 -0.0127 -0.1752
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38160 12195SOL HW238158 5.743 5.564 6.708 0.1996 0.4688 -1.5473
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38161 12196SOL OW38159 5.675 6.909 6.676 -0.0334 -0.5592 0.2587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38162 12196SOL HW138160 5.624 6.846 6.617 0.1509 -1.8284 1.4084
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38163 12196SOL HW238161 5.720 6.978 6.620 0.7872 -2.1875 -1.1805
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38164 12197SOL OW38162 6.270 6.057 6.374 0.3235 0.6693 -0.3803
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38165 12197SOL HW138163 6.354 6.013 6.341 0.1010 0.4352 -0.6447
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38166 12197SOL HW238164 6.288 6.153 6.393 0.6998 0.5792 -0.2484
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38167 12198SOL OW38165 6.090 5.656 6.160 -0.5075 -0.2537 -0.3008
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38168 12198SOL HW138166 6.024 5.726 6.135 -0.7915 -0.1289 0.7648
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38169 12198SOL HW238167 6.050 5.595 6.228 0.5007 -0.1184 0.4312
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38170 12199SOL OW38168 6.956 5.978 5.798 0.2023 0.1588 0.4464
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38171 12199SOL HW138169 7.021 6.030 5.743 0.2464 -0.7813 -0.4070
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38172 12199SOL HW238170 6.939 6.027 5.884 0.5064 1.3955 -0.1759
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38173 12200SOL OW38171 6.509 6.249 6.486 0.0334 0.5381 0.1531
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38174 12200SOL HW138172 6.557 6.305 6.553 1.1550 -2.4850 2.1190
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38175 12200SOL HW238173 6.470 6.169 6.532 -0.3617 -0.9947 -2.6155
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38176 12201SOL OW38174 6.955 5.762 5.645 0.0971 -0.2698 -0.6277
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38177 12201SOL HW138175 6.963 5.840 5.706 1.5636 -0.8109 -0.0939
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38178 12201SOL HW238176 6.984 5.679 5.692 0.9703 -0.7503 -1.9437
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38179 12202SOL OW38177 6.831 6.395 5.395 -0.2935 0.3877 -0.3284
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38180 12202SOL HW138178 6.867 6.348 5.476 1.1547 1.0053 -0.5954
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38181 12202SOL HW238179 6.906 6.419 5.334 -1.1800 1.5962 -0.9809
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38182 12203SOL OW38180 6.740 6.961 6.383 0.1987 -0.3848 -0.3609
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38183 12203SOL HW138181 6.807 6.892 6.355 1.2731 0.3881 0.2422
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38184 12203SOL HW238182 6.773 7.052 6.355 -0.4321 0.0410 0.2617
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38185 12204SOL OW38183 5.947 6.364 6.398 0.0101 -0.0866 -0.0264
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38186 12204SOL HW138184 6.038 6.344 6.433 0.0163 -0.8415 -0.4442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38187 12204SOL HW238185 5.926 6.302 6.322 -0.2518 1.0917 -0.9392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38188 12205SOL OW38186 5.860 6.114 6.505 0.1524 0.8685 0.3594
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38189 12205SOL HW138187 5.933 6.088 6.441 -0.8422 -1.8810 0.2224
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38190 12205SOL HW238188 5.830 6.207 6.485 2.2852 1.3811 -0.8179
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38191 12206SOL OW38189 6.496 5.767 6.921 0.1370 0.6048 0.1836
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38192 12206SOL HW138190 6.435 5.840 6.890 0.8444 1.1211 -0.0162
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38193 12206SOL HW238191 6.574 5.807 6.970 0.1992 -0.0606 0.6387
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38194 12207SOL OW38192 5.574 6.861 5.575 0.0801 0.0588 0.6498
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38195 12207SOL HW138193 5.494 6.900 5.530 -0.8522 -0.5086 1.7886
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38196 12207SOL HW238194 5.554 6.770 5.609 0.8990 0.2662 1.7838
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38197 12208SOL OW38195 6.252 7.045 6.610 -0.4360 0.0458 -0.8962
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38198 12208SOL HW138196 6.305 7.108 6.666 0.1003 0.0029 -1.3417
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38199 12208SOL HW238197 6.232 7.088 6.522 -1.1148 0.0453 -0.7482
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38200 12209SOL OW38198 6.669 6.392 6.655 0.2463 -0.2281 -0.8406
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38201 12209SOL HW138199 6.694 6.485 6.627 -0.5030 0.9571 2.0392
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38202 12209SOL HW238200 6.680 6.383 6.753 -0.1134 -3.1147 -0.9841
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38203 12210SOL OW38201 5.480 6.224 6.714 -0.3497 -0.0393 -0.1507
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38204 12210SOL HW138202 5.542 6.252 6.641 -0.2531 -0.3822 -0.2024
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38205 12210SOL HW238203 5.511 6.137 6.753 -0.1662 0.3517 0.5844
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38206 12211SOL OW38204 6.185 6.171 5.608 -1.1390 0.4241 -0.2460
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38207 12211SOL HW138205 6.146 6.087 5.569 -0.4278 0.5685 -1.3063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38208 12211SOL HW238206 6.112 6.227 5.646 -1.8728 0.2701 -1.3758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38209 12212SOL OW38207 5.780 6.962 7.161 0.0101 -0.5860 -0.1922
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38210 12212SOL HW138208 5.876 6.970 7.186 0.1015 -2.8946 0.4781
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38211 12212SOL HW238209 5.723 6.979 7.241 -0.3789 3.1652 -1.0822
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38212 12213SOL OW38210 6.193 5.951 6.611 0.0742 -0.2696 -0.1867
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38213 12213SOL HW138211 6.100 5.925 6.638 -0.0394 1.2463 1.0111
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38214 12213SOL HW238212 6.190 6.001 6.525 -0.1290 -0.7934 -0.4913
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38215 12214SOL OW38213 6.169 6.048 5.297 -0.1173 0.0448 -0.2465
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38216 12214SOL HW138214 6.118 6.008 5.372 0.0560 0.2804 -0.0011
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38217 12214SOL HW238215 6.239 6.109 5.333 -0.5286 0.7514 -0.6252
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38218 12215SOL OW38216 5.816 6.611 6.951 -0.1171 0.0041 -0.1960
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38219 12215SOL HW138217 5.783 6.568 7.034 -1.6114 -0.1026 -0.8202
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38220 12215SOL HW238218 5.823 6.543 6.878 -0.9650 0.5046 -0.7564
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38221 12216SOL OW38219 6.994 6.531 6.536 -0.0294 -0.2695 0.2556
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38222 12216SOL HW138220 6.950 6.478 6.464 0.4561 -0.7981 0.3349
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38223 12216SOL HW238221 6.932 6.603 6.568 -0.9191 -1.1420 0.5347
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38224 12217SOL OW38222 6.852 6.502 5.790 0.0107 0.3414 -0.4166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38225 12217SOL HW138223 6.874 6.424 5.731 1.2439 1.0576 -0.9365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38226 12217SOL HW238224 6.753 6.506 5.803 -0.1715 -0.6651 -1.2766
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38227 12218SOL OW38225 0.286 0.128 6.543 0.0791 -0.1598 -0.0854
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38228 12218SOL HW138226 0.336 0.099 6.462 0.8748 0.2695 0.2409
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38229 12218SOL HW238227 0.340 0.106 6.625 -1.6968 -2.7403 0.5226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38230 12219SOL OW38228 7.152 7.133 6.405 0.2251 -0.2937 -1.1243
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38231 12219SOL HW138229 7.193 7.188 6.477 -3.8100 0.2697 1.0449
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38232 12219SOL HW238230 7.164 7.036 6.426 0.6425 -0.1603 -0.7275
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38233 12220SOL OW38231 5.633 6.747 6.422 0.2473 0.3747 -0.4607
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38234 12220SOL HW138232 5.724 6.711 6.402 0.9709 1.4923 0.6288
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38235 12220SOL HW238233 5.566 6.673 6.416 1.0087 -0.2304 -2.4972
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38236 12221SOL OW38234 6.905 7.220 6.081 0.0197 0.1359 -0.4633
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38237 12221SOL HW138235 6.991 7.172 6.067 0.9997 1.6302 0.2166
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38238 12221SOL HW238236 6.908 7.309 6.037 -0.1716 1.2460 1.6255
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38239 12222SOL OW38237 6.849 6.391 6.050 -0.2128 -0.2727 -0.4077
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38240 12222SOL HW138238 6.864 6.442 5.965 -0.5262 0.8607 0.1956
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38241 12222SOL HW238239 6.893 6.301 6.043 2.4000 0.9224 -0.6647
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38242 12223SOL OW38240 6.508 6.772 7.049 0.0441 0.4797 0.1719
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38243 12223SOL HW138241 6.459 6.711 7.112 -1.5446 0.4461 -1.0223
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38244 12223SOL HW238242 6.449 6.848 7.023 0.4005 0.1734 -1.7221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38245 12224SOL OW38243 6.285 7.028 5.463 0.2810 0.1698 0.0080
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38246 12224SOL HW138244 6.328 6.989 5.544 -0.1893 -0.7244 -0.1549
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38247 12224SOL HW238245 6.187 7.005 5.462 0.7476 -2.3407 -2.1666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38248 12225SOL OW38246 5.865 5.797 6.158 0.0114 -0.1470 -0.5676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38249 12225SOL HW138247 5.779 5.754 6.131 -0.7955 0.8491 0.3560
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38250 12225SOL HW238248 5.861 5.824 6.254 0.6249 1.6042 -0.9902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38251 12226SOL OW38249 6.755 7.093 5.662 0.2860 -0.0223 0.3272
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38252 12226SOL HW138250 6.808 7.047 5.733 -0.3139 0.3894 1.0593
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38253 12226SOL HW238251 6.663 7.113 5.697 -1.8036 -4.1168 -2.0384
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38254 12227SOL OW38252 6.309 6.515 6.853 -0.2505 0.1573 -0.4440
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38255 12227SOL HW138253 6.382 6.492 6.918 -1.0142 1.6612 1.0489
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38256 12227SOL HW238254 6.323 6.608 6.819 -0.4450 -0.2427 -1.6525
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38257 12228SOL OW38255 6.580 6.454 5.822 -0.3661 -0.1865 -0.1187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38258 12228SOL HW138256 6.588 6.467 5.723 4.8715 1.4820 0.2599
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38259 12228SOL HW238257 6.556 6.359 5.840 -0.9306 -0.6943 -2.9509
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38260 12229SOL OW38258 6.322 6.975 6.908 -0.0739 0.0190 -0.1709
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38261 12229SOL HW138259 6.280 6.905 6.852 -1.3679 -0.1715 1.0027
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38262 12229SOL HW238260 6.393 7.022 6.855 -0.7769 -0.6112 -1.7149
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38263 12230SOL OW38261 6.712 6.616 6.167 0.2319 -0.1435 -0.4895
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38264 12230SOL HW138262 6.664 6.606 6.254 0.7299 -0.8869 -0.2929
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38265 12230SOL HW238263 6.745 6.527 6.136 0.7527 0.2296 -1.0390
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38266 12231SOL OW38264 6.582 5.668 6.372 -0.2604 0.2884 -0.0278
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38267 12231SOL HW138265 6.552 5.648 6.279 -0.7319 1.6587 -0.1923
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38268 12231SOL HW238266 6.663 5.614 6.394 -0.9279 -1.0300 -0.7513
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38269 12232SOL OW38267 6.279 6.938 6.037 0.6468 -0.6447 0.0522
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38270 12232SOL HW138268 6.339 6.868 5.998 0.5501 -0.7131 0.0265
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38271 12232SOL HW238269 6.283 7.020 5.980 0.9276 -0.5515 0.2033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38272 12233SOL OW38270 5.808 6.926 5.744 0.5798 -0.1778 -0.2724
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38273 12233SOL HW138271 5.724 6.916 5.691 0.0125 1.3063 0.3042
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38274 12233SOL HW238272 5.788 6.918 5.842 0.7337 2.0777 -0.0063
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38275 12234SOL OW38273 5.750 6.508 7.186 -0.2340 0.3768 -0.6751
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38276 12234SOL HW138274 5.682 6.549 7.247 -1.0975 0.2061 -1.5150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38277 12234SOL HW238275 5.807 6.443 7.238 -1.8097 -0.7539 -0.3025
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38278 12235SOL OW38276 6.292 5.263 6.930 0.7737 -0.6766 0.1901
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38279 12235SOL HW138277 6.353 5.220 6.863 -0.4562 0.0975 -1.5297
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38280 12235SOL HW238278 6.332 5.350 6.959 0.7940 -0.4538 -0.4735
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38281 12236SOL OW38279 5.787 5.956 5.765 -0.2057 0.5004 0.4114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38282 12236SOL HW138280 5.800 5.901 5.683 0.0141 0.7162 0.2997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38283 12236SOL HW238281 5.876 5.973 5.808 -0.4390 -0.8404 1.5023
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38284 12237SOL OW38282 7.018 6.364 6.802 -0.0858 0.4387 -0.2362
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38285 12237SOL HW138283 7.032 6.408 6.714 -0.3271 -1.3129 -1.1904
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38286 12237SOL HW238284 7.106 6.346 6.845 0.0791 0.4365 -0.5716
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38287 12238SOL OW38285 5.791 5.685 5.862 0.1213 -0.0076 -0.3677
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38288 12238SOL HW138286 5.767 5.778 5.836 0.7588 0.1839 -0.2684
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38289 12238SOL HW238287 5.848 5.644 5.791 -0.3891 -0.4222 -0.5456
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38290 12239SOL OW38288 6.733 6.749 5.667 -0.3713 0.6980 -0.0287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38291 12239SOL HW138289 6.699 6.659 5.638 1.4822 0.0614 -0.3816
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38292 12239SOL HW238290 6.718 6.760 5.766 0.0838 -0.3351 0.1652
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38293 12240SOL OW38291 6.269 6.237 6.759 -0.0837 0.1079 0.4787
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38294 12240SOL HW138292 6.277 6.332 6.791 -0.2941 -0.1616 1.3600
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38295 12240SOL HW238293 6.348 6.185 6.792 0.2767 0.0747 -0.4033
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38296 12241SOL OW38294 0.008 0.047 6.595 0.1519 -0.2897 -0.2210
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38297 12241SOL HW138295 -0.065 0.103 6.635 0.4298 0.0702 -0.2208
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38298 12241SOL HW238296 0.092 0.101 6.590 0.3777 -0.6514 -0.3653
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38299 12242SOL OW38297 6.032 6.145 7.105 -0.0124 0.3783 0.4427
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38300 12242SOL HW138298 6.025 6.182 7.012 0.8639 -1.6917 -0.5148
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38301 12242SOL HW238299 6.110 6.187 7.151 -0.6131 1.6203 0.3732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38302 12243SOL OW38300 6.096 7.241 7.212 -0.6055 -0.3709 0.5974
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38303 12243SOL HW138301 6.020 7.306 7.215 -1.5189 -1.3494 -0.4758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38304 12243SOL HW238302 6.064 7.151 7.243 0.3454 -0.5936 0.9526
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38305 12244SOL OW38303 7.236 6.569 6.657 0.2143 -0.0312 -0.1666
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38306 12244SOL HW138304 7.272 6.480 6.629 -0.6535 -0.4356 -0.0043
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38307 12244SOL HW238305 7.149 6.586 6.610 -1.1099 -0.5745 2.0003
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38308 12245SOL OW38306 6.758 5.817 6.101 0.7790 0.4074 -0.3920
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38309 12245SOL HW138307 6.829 5.772 6.155 -0.9945 -0.3835 1.4233
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38310 12245SOL HW238308 6.760 5.915 6.116 0.2357 0.1870 1.2959
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38311 12246SOL OW38309 6.136 6.368 6.113 0.3235 0.4715 -0.5248
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38312 12246SOL HW138310 6.221 6.322 6.086 -0.5338 -0.3834 -1.9221
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38313 12246SOL HW238311 6.059 6.317 6.076 -0.9202 0.0949 2.3581
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38314 12247SOL OW38312 7.258 6.379 7.003 0.3264 0.0585 0.3216
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38315 12247SOL HW138313 7.297 6.340 7.087 -1.3178 0.4748 1.3304
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38316 12247SOL HW238314 7.316 6.453 6.970 2.4549 -1.8558 -0.5281
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38317 12248SOL OW38315 6.403 6.921 5.661 -0.0944 0.0484 0.3219
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38318 12248SOL HW138316 6.407 6.865 5.744 0.2893 -0.8470 -0.2902
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38319 12248SOL HW238317 6.451 6.875 5.587 -1.2713 0.3831 -0.6780
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38320 12249SOL OW38318 6.585 6.667 6.436 0.1114 0.3070 0.7758
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38321 12249SOL HW138319 6.522 6.590 6.438 -1.1273 1.1561 -1.4138
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38322 12249SOL HW238320 6.534 6.752 6.417 1.7065 1.2735 0.6150
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38323 12250SOL OW38321 6.610 6.507 5.569 -0.2728 -0.1084 -0.1351
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38324 12250SOL HW138322 6.517 6.517 5.533 -1.0857 -1.3245 1.5147
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38325 12250SOL HW238323 6.675 6.508 5.493 -1.7304 -0.4547 -1.4407
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38326 12251SOL OW38324 0.186 7.031 6.218 -0.6592 0.1133 -0.0367
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38327 12251SOL HW138325 0.161 7.110 6.163 1.0967 0.9411 0.2712
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38328 12251SOL HW238326 0.157 7.045 6.313 1.7475 1.6096 0.5887
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38329 12252SOL OW38327 5.889 6.874 6.297 0.4970 0.3503 0.6455
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38330 12252SOL HW138328 5.911 6.789 6.345 1.2298 0.6690 0.9050
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38331 12252SOL HW238329 5.872 6.855 6.201 -2.5854 -0.5329 1.2610
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38332 12253SOL OW38330 6.263 6.948 7.183 0.3513 0.0813 0.2792
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38333 12253SOL HW138331 6.268 6.958 7.084 -0.7020 -1.8778 -0.0173
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38334 12253SOL HW238332 6.174 6.981 7.216 0.6997 0.7326 0.5799
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38335 12254SOL OW38333 0.087 5.675 6.743 0.5294 -0.6303 0.5136
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38336 12254SOL HW138334 0.086 5.662 6.644 1.7224 -2.0435 0.6554
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38337 12254SOL HW238335 0.142 5.756 6.765 -2.1682 1.5070 -0.0784
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38338 12255SOL OW38336 5.982 5.966 5.990 0.6792 0.8327 -0.0442
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38339 12255SOL HW138337 6.064 5.944 5.936 -0.0320 -0.3348 -0.6870
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38340 12255SOL HW238338 5.950 5.883 6.037 0.8030 1.6439 1.5495
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38341 12256SOL OW38339 5.920 5.931 6.681 0.3649 -0.8352 -0.8726
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38342 12256SOL HW138340 5.861 5.859 6.646 -1.6541 0.4543 -0.2571
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38343 12256SOL HW238341 5.912 6.012 6.624 1.5926 -0.6285 -0.7828
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38344 12257SOL OW38342 6.474 7.176 6.127 0.3088 -0.0462 0.4559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38345 12257SOL HW138343 6.422 7.188 6.042 0.3146 -2.2977 0.0860
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38346 12257SOL HW238344 6.416 7.133 6.196 0.9544 -0.2926 0.8559
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38347 12258SOL OW38345 7.041 5.832 6.601 -0.2064 0.5007 1.0587
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38348 12258SOL HW138346 7.031 5.744 6.647 4.5585 -0.4130 0.8280
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38349 12258SOL HW238347 7.044 5.905 6.670 -1.8123 0.2866 1.4081
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38350 12259SOL OW38348 6.801 5.545 6.492 -0.7350 -0.1021 0.1004
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38351 12259SOL HW138349 6.774 5.449 6.480 -4.3535 0.7938 -0.0622
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38352 12259SOL HW238350 6.869 5.551 6.565 1.2416 -2.9467 -1.3287
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38353 12260SOL OW38351 6.427 6.776 5.886 0.3472 -0.0778 0.3187
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38354 12260SOL HW138352 6.408 6.684 5.919 2.9787 -1.4486 -1.5641
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38355 12260SOL HW238353 6.526 6.792 5.886 0.0183 2.4123 -0.3067
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38356 12261SOL OW38354 6.486 7.169 6.761 0.5917 0.1406 -0.1300
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38357 12261SOL HW138355 6.538 7.230 6.821 0.2500 -1.6364 2.1028
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38358 12261SOL HW238356 6.549 7.107 6.714 0.7375 0.3900 -0.2676
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38359 12262SOL OW38357 6.897 5.563 5.966 0.0143 0.2020 -0.8573
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38360 12262SOL HW138358 6.857 5.545 5.876 -2.3214 0.4239 0.0732
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38361 12262SOL HW238359 6.861 5.648 6.002 -1.7036 -1.4650 1.6365
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38362 12263SOL OW38360 6.734 6.086 6.239 -0.3380 -0.2278 0.4357
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38363 12263SOL HW138361 6.637 6.061 6.233 -0.7993 1.2854 1.0226
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38364 12263SOL HW238362 6.765 6.076 6.334 0.2472 -1.2083 0.1568
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38365 12264SOL OW38363 7.257 5.723 6.475 -0.4119 -0.1596 0.0997
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38366 12264SOL HW138364 7.200 5.784 6.531 0.9150 1.0201 0.2114
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38367 12264SOL HW238365 7.218 5.717 6.383 -1.5977 -0.6640 0.6141
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38368 12265SOL OW38366 5.636 6.430 5.796 0.8169 -0.0958 -0.1490
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38369 12265SOL HW138367 5.705 6.496 5.822 0.9752 -0.6747 0.9604
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38370 12265SOL HW238368 5.617 6.369 5.873 -0.0086 -0.7444 -0.8397
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38371 12266CL CL38369 0.046 2.908 1.329 -0.2298 -0.3149 -0.1369
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38372 12267CL CL38370 1.513 2.405 3.178 -0.3140 -0.0194 -0.3672
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38373 12268CL CL38371 1.503 7.246 4.172 -0.2315 0.0180 0.2176
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38374 12269CL CL38372 1.523 6.364 5.741 -0.0948 -0.2998 0.2157
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38375 12270CL CL38373 3.021 3.714 6.119 0.0026 -0.4095 -0.0198
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38376 12271CL CL38374 2.756 4.105 1.673 -0.1828 0.2375 -0.1030
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38377 12272CL CL38375 0.038 1.035 0.677 -0.1162 -0.0511 -0.4826
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38378 12273CL CL38376 6.261 5.675 5.710 -0.4433 -0.0837 -0.0991
1a5960636405 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
diff changeset
38379 7.25935 7.25935 7.25935